Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 9:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca2BrN.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 40 12 1492 725 118 Max 66 41 13 1494 743 119 Sum 2347 1457 433 53731 26411 4279 bravais-lattice index = 14 lattice parameter (alat) = 13.5756 a.u. unit-cell volume = 554.0278 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.575624 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.866030 celldm(5)= 0.866030 celldm(6)= 0.866030 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.866030 0.499992 0.000000 ) a(3) = ( 0.866030 0.232048 0.442883 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.732089 -1.047913 ) b(2) = ( 0.000000 2.000033 -1.047913 ) b(3) = ( 0.000000 0.000000 2.257931 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0100000 -0.0173209 -0.0104791), wk = 0.0030864 k( 3) = ( 0.0200000 -0.0346418 -0.0209583), wk = 0.0030864 k( 4) = ( 0.0300000 -0.0519627 -0.0314374), wk = 0.0030864 k( 5) = ( 0.0400000 -0.0692836 -0.0419165), wk = 0.0030864 k( 6) = ( 0.0500000 -0.0866044 -0.0523956), wk = 0.0030864 k( 7) = ( 0.0600000 -0.1039253 -0.0628748), wk = 0.0030864 k( 8) = ( 0.0700000 -0.1212462 -0.0733539), wk = 0.0030864 k( 9) = ( 0.0800000 -0.1385671 -0.0838330), wk = 0.0030864 k( 10) = ( 0.0900000 -0.1558880 -0.0943121), wk = 0.0030864 k( 11) = ( 0.1000000 -0.1732089 -0.1047913), wk = 0.0030864 k( 12) = ( 0.1100000 -0.1905298 -0.1152704), wk = 0.0030864 k( 13) = ( 0.1200000 -0.2078507 -0.1257495), wk = 0.0030864 k( 14) = ( 0.1300000 -0.2251716 -0.1362286), wk = 0.0030864 k( 15) = ( 0.1400000 -0.2424924 -0.1467078), wk = 0.0030864 k( 16) = ( 0.1500000 -0.2598133 -0.1571869), wk = 0.0030864 k( 17) = ( 0.1600000 -0.2771342 -0.1676660), wk = 0.0030864 k( 18) = ( 0.1700000 -0.2944551 -0.1781451), wk = 0.0030864 k( 19) = ( 0.1800000 -0.3117760 -0.1886243), wk = 0.0030864 k( 20) = ( 0.1900000 -0.3290969 -0.1991034), wk = 0.0030864 k( 21) = ( 0.2000000 -0.3464178 -0.2095825), wk = 0.0030864 k( 22) = ( 0.2100000 -0.3637387 -0.2200616), wk = 0.0030864 k( 23) = ( 0.2200000 -0.3810596 -0.2305408), wk = 0.0030864 k( 24) = ( 0.2300000 -0.3983804 -0.2410199), wk = 0.0030864 k( 25) = ( 0.2400000 -0.4157013 -0.2514990), wk = 0.0030864 k( 26) = ( 0.2500000 -0.4330222 -0.2619781), wk = 0.0030864 k( 27) = ( 0.2600000 -0.4503431 -0.2724573), wk = 0.0030864 k( 28) = ( 0.2700000 -0.4676640 -0.2829364), wk = 0.0030864 k( 29) = ( 0.2800000 -0.4849849 -0.2934155), wk = 0.0030864 k( 30) = ( 0.2900000 -0.5023058 -0.3038946), wk = 0.0030864 k( 31) = ( 0.3000000 -0.5196267 -0.3143738), wk = 0.0030864 k( 32) = ( 0.3100000 -0.5369476 -0.3248529), wk = 0.0030864 k( 33) = ( 0.3200000 -0.5542684 -0.3353320), wk = 0.0030864 k( 34) = ( 0.3300000 -0.5715893 -0.3458111), wk = 0.0030864 k( 35) = ( 0.3400000 -0.5889102 -0.3562903), wk = 0.0030864 k( 36) = ( 0.3500000 -0.6062311 -0.3667694), wk = 0.0030864 k( 37) = ( 0.3600000 -0.6235520 -0.3772485), wk = 0.0030864 k( 38) = ( 0.3700000 -0.6408729 -0.3877276), wk = 0.0030864 k( 39) = ( 0.3800000 -0.6581938 -0.3982068), wk = 0.0030864 k( 40) = ( 0.3900000 -0.6755147 -0.4086859), wk = 0.0030864 k( 41) = ( 0.4000000 -0.6928356 -0.4191650), wk = 0.0030864 k( 42) = ( 0.4100000 -0.7101564 -0.4296441), wk = 0.0030864 k( 43) = ( 0.4200000 -0.7274773 -0.4401233), wk = 0.0030864 k( 44) = ( 0.4300000 -0.7447982 -0.4506024), wk = 0.0030864 k( 45) = ( 0.4400000 -0.7621191 -0.4610815), wk = 0.0030864 k( 46) = ( 0.4500000 -0.7794400 -0.4715606), wk = 0.0030864 k( 47) = ( 0.4600000 -0.7967609 -0.4820398), wk = 0.0030864 k( 48) = ( 0.4700000 -0.8140818 -0.4925189), wk = 0.0030864 k( 49) = ( 0.4800000 -0.8314027 -0.5029980), wk = 0.0030864 k( 50) = ( 0.4900000 -0.8487236 -0.5134771), wk = 0.0030864 k( 51) = ( 0.5000000 -0.8660444 -0.5239563), wk = 0.0030864 k( 52) = ( 0.5000000 -0.8660444 -0.5239563), wk = 0.0030864 k( 53) = ( 0.5000000 -0.8542370 -0.5434727), wk = 0.0030864 k( 54) = ( 0.5000000 -0.8424296 -0.5629891), wk = 0.0030864 k( 55) = ( 0.5000000 -0.8306222 -0.5825055), wk = 0.0030864 k( 56) = ( 0.5000000 -0.8188147 -0.6020220), wk = 0.0030864 k( 57) = ( 0.5000000 -0.8070073 -0.6215384), wk = 0.0030864 k( 58) = ( 0.5000000 -0.7951999 -0.6410548), wk = 0.0030864 k( 59) = ( 0.5000000 -0.7833925 -0.6605712), wk = 0.0030864 k( 60) = ( 0.5000000 -0.7715850 -0.6800877), wk = 0.0030864 k( 61) = ( 0.5000000 -0.7597776 -0.6996041), wk = 0.0030864 k( 62) = ( 0.5000000 -0.7479702 -0.7191205), wk = 0.0030864 k( 63) = ( 0.5000000 -0.7361628 -0.7386370), wk = 0.0030864 k( 64) = ( 0.5000000 -0.7243554 -0.7581534), wk = 0.0030864 k( 65) = ( 0.5000000 -0.7125479 -0.7776698), wk = 0.0030864 k( 66) = ( 0.5000000 -0.7007405 -0.7971863), wk = 0.0030864 k( 67) = ( 0.5000000 -0.6889331 -0.8167027), wk = 0.0030864 k( 68) = ( 0.5000000 -0.6771257 -0.8362191), wk = 0.0030864 k( 69) = ( 0.5000000 -0.6653182 -0.8557355), wk = 0.0030864 k( 70) = ( 0.5000000 -0.6535108 -0.8752520), wk = 0.0030864 k( 71) = ( 0.5000000 -0.6417034 -0.8947684), wk = 0.0030864 k( 72) = ( 0.5000000 -0.6298960 -0.9142848), wk = 0.0030864 k( 73) = ( 0.5000000 -0.6180885 -0.9338012), wk = 0.0030864 k( 74) = ( 0.5000000 -0.6062811 -0.9533177), wk = 0.0030864 k( 75) = ( 0.5000000 -0.5944737 -0.9728341), wk = 0.0030864 k( 76) = ( 0.5000000 -0.5826663 -0.9923505), wk = 0.0030864 k( 77) = ( 0.5000000 -0.5708588 -1.0118669), wk = 0.0030864 k( 78) = ( 0.5000000 -0.5590514 -1.0313834), wk = 0.0030864 k( 79) = ( 0.5000000 -0.5472440 -1.0508998), wk = 0.0030864 k( 80) = ( 0.5000000 -0.5354366 -1.0704162), wk = 0.0030864 k( 81) = ( 0.5000000 -0.5236291 -1.0899327), wk = 0.0030864 k( 82) = ( 0.5000000 -0.5118217 -1.1094491), wk = 0.0030864 k( 83) = ( 0.5000000 -0.5000143 -1.1289655), wk = 0.0030864 k( 84) = ( 0.8169879 -0.4150792 -0.9668596), wk = 0.0030864 k( 85) = ( 0.8111178 -0.4049116 -0.9474538), wk = 0.0030864 k( 86) = ( 0.8052476 -0.3947440 -0.9280480), wk = 0.0030864 k( 87) = ( 0.7993775 -0.3845764 -0.9086422), wk = 0.0030864 k( 88) = ( 0.7935073 -0.3744088 -0.8892364), wk = 0.0030864 k( 89) = ( 0.7876372 -0.3642412 -0.8698306), wk = 0.0030864 k( 90) = ( 0.7817671 -0.3540735 -0.8504248), wk = 0.0030864 k( 91) = ( 0.7758969 -0.3439059 -0.8310190), wk = 0.0030864 k( 92) = ( 0.7700268 -0.3337383 -0.8116132), wk = 0.0030864 k( 93) = ( 0.7641566 -0.3235707 -0.7922074), wk = 0.0030864 k( 94) = ( 0.7582865 -0.3134031 -0.7728017), wk = 0.0030864 k( 95) = ( 0.7524163 -0.3032355 -0.7533959), wk = 0.0030864 k( 96) = ( 0.7465462 -0.2930678 -0.7339901), wk = 0.0030864 k( 97) = ( 0.7406760 -0.2829002 -0.7145843), wk = 0.0030864 k( 98) = ( 0.7348059 -0.2727326 -0.6951785), wk = 0.0030864 k( 99) = ( 0.7289357 -0.2625650 -0.6757727), wk = 0.0030864 k( 100) = ( 0.7230656 -0.2523974 -0.6563669), wk = 0.0030864 k( 101) = ( 0.7171954 -0.2422298 -0.6369612), wk = 0.0030864 k( 102) = ( 0.7113253 -0.2320621 -0.6175554), wk = 0.0030864 k( 103) = ( 0.7054551 -0.2218945 -0.5981496), wk = 0.0030864 k( 104) = ( 0.6995850 -0.2117269 -0.5787438), wk = 0.0030864 k( 105) = ( 0.6937148 -0.2015593 -0.5593380), wk = 0.0030864 k( 106) = ( 0.6878447 -0.1913917 -0.5399322), wk = 0.0030864 k( 107) = ( 0.6819746 -0.1812241 -0.5205264), wk = 0.0030864 k( 108) = ( 0.6761044 -0.1710564 -0.5011206), wk = 0.0030864 k( 109) = ( 0.6702343 -0.1608888 -0.4817148), wk = 0.0030864 k( 110) = ( 0.6643641 -0.1507212 -0.4623090), wk = 0.0030864 k( 111) = ( 0.6584940 -0.1405536 -0.4429033), wk = 0.0030864 k( 112) = ( 0.6526238 -0.1303860 -0.4234975), wk = 0.0030864 k( 113) = ( 0.6467537 -0.1202184 -0.4040917), wk = 0.0030864 k( 114) = ( 0.6408835 -0.1100508 -0.3846859), wk = 0.0030864 k( 115) = ( 0.6350134 -0.0998831 -0.3652801), wk = 0.0030864 k( 116) = ( 0.6291432 -0.0897155 -0.3458743), wk = 0.0030864 k( 117) = ( 0.6232731 -0.0795479 -0.3264686), wk = 0.0030864 k( 118) = ( 0.6174029 -0.0693803 -0.3070628), wk = 0.0030864 k( 119) = ( 0.6115328 -0.0592127 -0.2876570), wk = 0.0030864 k( 120) = ( 0.6056626 -0.0490451 -0.2682512), wk = 0.0030864 k( 121) = ( 0.5997925 -0.0388774 -0.2488454), wk = 0.0030864 k( 122) = ( 0.5939224 -0.0287098 -0.2294396), wk = 0.0030864 k( 123) = ( 0.5880522 -0.0185422 -0.2100338), wk = 0.0030864 k( 124) = ( 0.5821821 -0.0083746 -0.1906280), wk = 0.0030864 k( 125) = ( 0.5763119 0.0017930 -0.1712222), wk = 0.0030864 k( 126) = ( 0.5704418 0.0119607 -0.1518164), wk = 0.0030864 k( 127) = ( 0.5645716 0.0221283 -0.1324107), wk = 0.0030864 k( 128) = ( 0.5587015 0.0322959 -0.1130049), wk = 0.0030864 k( 129) = ( 0.5528313 0.0424635 -0.0935991), wk = 0.0030864 k( 130) = ( 0.5469612 0.0526311 -0.0741933), wk = 0.0030864 k( 131) = ( 0.5410910 0.0627987 -0.0547875), wk = 0.0030864 k( 132) = ( 0.5352209 0.0729663 -0.0353817), wk = 0.0030864 k( 133) = ( 0.5293507 0.0831340 -0.0159759), wk = 0.0030864 k( 134) = ( 0.5234806 0.0933016 0.0034298), wk = 0.0030864 k( 135) = ( 0.5176104 0.1034692 0.0228356), wk = 0.0030864 k( 136) = ( 0.5117403 0.1136368 0.0422414), wk = 0.0030864 k( 137) = ( 0.5058702 0.1238044 0.0616472), wk = 0.0030864 k( 138) = ( 0.5000000 0.1339720 0.0810530), wk = 0.0030864 k( 139) = ( 0.5000000 0.1339720 0.0810530), wk = 0.0030864 k( 140) = ( 0.4782609 0.1281472 0.0775289), wk = 0.0030864 k( 141) = ( 0.4565217 0.1223223 0.0740049), wk = 0.0030864 k( 142) = ( 0.4347826 0.1164974 0.0704809), wk = 0.0030864 k( 143) = ( 0.4130435 0.1106726 0.0669568), wk = 0.0030864 k( 144) = ( 0.3913044 0.1048477 0.0634328), wk = 0.0030864 k( 145) = ( 0.3695652 0.0990228 0.0599087), wk = 0.0030864 k( 146) = ( 0.3478261 0.0931979 0.0563847), wk = 0.0030864 k( 147) = ( 0.3260870 0.0873731 0.0528606), wk = 0.0030864 k( 148) = ( 0.3043478 0.0815482 0.0493366), wk = 0.0030864 k( 149) = ( 0.2826087 0.0757233 0.0458126), wk = 0.0030864 k( 150) = ( 0.2608696 0.0698985 0.0422885), wk = 0.0030864 k( 151) = ( 0.2391304 0.0640736 0.0387645), wk = 0.0030864 k( 152) = ( 0.2173913 0.0582487 0.0352404), wk = 0.0030864 k( 153) = ( 0.1956522 0.0524238 0.0317164), wk = 0.0030864 k( 154) = ( 0.1739130 0.0465990 0.0281923), wk = 0.0030864 k( 155) = ( 0.1521739 0.0407741 0.0246683), wk = 0.0030864 k( 156) = ( 0.1304348 0.0349492 0.0211443), wk = 0.0030864 k( 157) = ( 0.1086957 0.0291244 0.0176202), wk = 0.0030864 k( 158) = ( 0.0869565 0.0232995 0.0140962), wk = 0.0030864 k( 159) = ( 0.0652174 0.0174746 0.0105721), wk = 0.0030864 k( 160) = ( 0.0434783 0.0116497 0.0070481), wk = 0.0030864 k( 161) = ( 0.0217391 0.0058249 0.0035240), wk = 0.0030864 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 164) = ( 0.0058880 -0.0101986 -0.0194649), wk = 0.0030864 k( 165) = ( 0.0117761 -0.0203972 -0.0389298), wk = 0.0030864 k( 166) = ( 0.0176641 -0.0305958 -0.0583948), wk = 0.0030864 k( 167) = ( 0.0235521 -0.0407944 -0.0778597), wk = 0.0030864 k( 168) = ( 0.0294402 -0.0509930 -0.0973246), wk = 0.0030864 k( 169) = ( 0.0353282 -0.0611916 -0.1167895), wk = 0.0030864 k( 170) = ( 0.0412163 -0.0713902 -0.1362545), wk = 0.0030864 k( 171) = ( 0.0471043 -0.0815888 -0.1557194), wk = 0.0030864 k( 172) = ( 0.0529923 -0.0917874 -0.1751843), wk = 0.0030864 k( 173) = ( 0.0588803 -0.1019860 -0.1946492), wk = 0.0030864 k( 174) = ( 0.0647684 -0.1121846 -0.2141142), wk = 0.0030864 k( 175) = ( 0.0706564 -0.1223832 -0.2335791), wk = 0.0030864 k( 176) = ( 0.0765445 -0.1325818 -0.2530440), wk = 0.0030864 k( 177) = ( 0.0824325 -0.1427804 -0.2725089), wk = 0.0030864 k( 178) = ( 0.0883205 -0.1529790 -0.2919739), wk = 0.0030864 k( 179) = ( 0.0942086 -0.1631776 -0.3114388), wk = 0.0030864 k( 180) = ( 0.1000966 -0.1733762 -0.3309037), wk = 0.0030864 k( 181) = ( 0.1059846 -0.1835748 -0.3503686), wk = 0.0030864 k( 182) = ( 0.1118727 -0.1937734 -0.3698335), wk = 0.0030864 k( 183) = ( 0.1177607 -0.2039720 -0.3892985), wk = 0.0030864 k( 184) = ( 0.1236487 -0.2141706 -0.4087634), wk = 0.0030864 k( 185) = ( 0.1295368 -0.2243692 -0.4282283), wk = 0.0030864 k( 186) = ( 0.1354248 -0.2345678 -0.4476932), wk = 0.0030864 k( 187) = ( 0.1413128 -0.2447664 -0.4671581), wk = 0.0030864 k( 188) = ( 0.1472009 -0.2549650 -0.4866231), wk = 0.0030864 k( 189) = ( 0.1530889 -0.2651636 -0.5060880), wk = 0.0030864 k( 190) = ( 0.1589770 -0.2753622 -0.5255529), wk = 0.0030864 k( 191) = ( 0.1648650 -0.2855608 -0.5450178), wk = 0.0030864 k( 192) = ( 0.1707530 -0.2957594 -0.5644828), wk = 0.0030864 k( 193) = ( 0.1766410 -0.3059580 -0.5839477), wk = 0.0030864 k( 194) = ( 0.1825291 -0.3161566 -0.6034126), wk = 0.0030864 k( 195) = ( 0.1884171 -0.3263552 -0.6228775), wk = 0.0030864 k( 196) = ( 0.1943052 -0.3365538 -0.6423425), wk = 0.0030864 k( 197) = ( 0.2001932 -0.3467524 -0.6618074), wk = 0.0030864 k( 198) = ( 0.2060812 -0.3569510 -0.6812723), wk = 0.0030864 k( 199) = ( 0.2119693 -0.3671496 -0.7007372), wk = 0.0030864 k( 200) = ( 0.2178573 -0.3773482 -0.7202022), wk = 0.0030864 k( 201) = ( 0.2237453 -0.3875468 -0.7396671), wk = 0.0030864 k( 202) = ( 0.2296334 -0.3977454 -0.7591320), wk = 0.0030864 k( 203) = ( 0.2355214 -0.4079440 -0.7785969), wk = 0.0030864 k( 204) = ( 0.2414094 -0.4181426 -0.7980618), wk = 0.0030864 k( 205) = ( 0.2472975 -0.4283412 -0.8175268), wk = 0.0030864 k( 206) = ( 0.2531855 -0.4385398 -0.8369917), wk = 0.0030864 k( 207) = ( 0.2590735 -0.4487384 -0.8564566), wk = 0.0030864 k( 208) = ( 0.2649616 -0.4589370 -0.8759215), wk = 0.0030864 k( 209) = ( 0.2708496 -0.4691356 -0.8953864), wk = 0.0030864 k( 210) = ( 0.2767377 -0.4793342 -0.9148514), wk = 0.0030864 k( 211) = ( 0.2826257 -0.4895328 -0.9343163), wk = 0.0030864 k( 212) = ( 0.2885137 -0.4997314 -0.9537812), wk = 0.0030864 k( 213) = ( 0.2944018 -0.5099300 -0.9732461), wk = 0.0030864 k( 214) = ( 0.3002898 -0.5201286 -0.9927111), wk = 0.0030864 k( 215) = ( 0.3061778 -0.5303272 -1.0121760), wk = 0.0030864 k( 216) = ( 0.3120659 -0.5405258 -1.0316409), wk = 0.0030864 k( 217) = ( 0.3179539 -0.5507244 -1.0511058), wk = 0.0030864 k( 218) = ( 0.3238419 -0.5609230 -1.0705708), wk = 0.0030864 k( 219) = ( 0.3297300 -0.5711216 -1.0900357), wk = 0.0030864 k( 220) = ( 0.3356180 -0.5813202 -1.1095006), wk = 0.0030864 k( 221) = ( 0.3415060 -0.5915188 -1.1289655), wk = 0.0030864 k( 222) = ( 0.6584940 -0.4575468 -1.0479125), wk = 0.0030864 k( 223) = ( 0.6526238 -0.4356387 -1.0479125), wk = 0.0030864 k( 224) = ( 0.6467537 -0.4137305 -1.0479125), wk = 0.0030864 k( 225) = ( 0.6408835 -0.3918225 -1.0479125), wk = 0.0030864 k( 226) = ( 0.6350134 -0.3699143 -1.0479125), wk = 0.0030864 k( 227) = ( 0.6291432 -0.3480062 -1.0479125), wk = 0.0030864 k( 228) = ( 0.6232731 -0.3260982 -1.0479125), wk = 0.0030864 k( 229) = ( 0.6174029 -0.3041900 -1.0479125), wk = 0.0030864 k( 230) = ( 0.6115328 -0.2822819 -1.0479125), wk = 0.0030864 k( 231) = ( 0.6056626 -0.2603738 -1.0479125), wk = 0.0030864 k( 232) = ( 0.5997925 -0.2384657 -1.0479125), wk = 0.0030864 k( 233) = ( 0.5939224 -0.2165576 -1.0479125), wk = 0.0030864 k( 234) = ( 0.5880522 -0.1946495 -1.0479125), wk = 0.0030864 k( 235) = ( 0.5821821 -0.1727414 -1.0479125), wk = 0.0030864 k( 236) = ( 0.5763119 -0.1508333 -1.0479125), wk = 0.0030864 k( 237) = ( 0.5704418 -0.1289252 -1.0479125), wk = 0.0030864 k( 238) = ( 0.5645716 -0.1070171 -1.0479125), wk = 0.0030864 k( 239) = ( 0.5587015 -0.0851090 -1.0479125), wk = 0.0030864 k( 240) = ( 0.5528313 -0.0632009 -1.0479125), wk = 0.0030864 k( 241) = ( 0.5469612 -0.0412928 -1.0479125), wk = 0.0030864 k( 242) = ( 0.5410910 -0.0193847 -1.0479125), wk = 0.0030864 k( 243) = ( 0.5352209 0.0025234 -1.0479125), wk = 0.0030864 k( 244) = ( 0.5293507 0.0244315 -1.0479125), wk = 0.0030864 k( 245) = ( 0.5234806 0.0463396 -1.0479125), wk = 0.0030864 k( 246) = ( 0.5176104 0.0682477 -1.0479125), wk = 0.0030864 k( 247) = ( 0.5117403 0.0901559 -1.0479125), wk = 0.0030864 k( 248) = ( 0.5058702 0.1120639 -1.0479125), wk = 0.0030864 k( 249) = ( 0.5000000 0.1339720 -1.0479125), wk = 0.0030864 k( 250) = ( 0.5000000 0.1339720 -1.0479125), wk = 0.0030864 k( 251) = ( 0.5176104 0.1386907 -1.0389067), wk = 0.0030864 k( 252) = ( 0.5352209 0.1434093 -1.0299007), wk = 0.0030864 k( 253) = ( 0.5528313 0.1481279 -1.0208949), wk = 0.0030864 k( 254) = ( 0.5704418 0.1528465 -1.0118890), wk = 0.0030864 k( 255) = ( 0.5880522 0.1575651 -1.0028831), wk = 0.0030864 k( 256) = ( 0.6056626 0.1622837 -0.9938772), wk = 0.0030864 k( 257) = ( 0.6232731 0.1670023 -0.9848713), wk = 0.0030864 k( 258) = ( 0.6408835 0.1717210 -0.9758654), wk = 0.0030864 k( 259) = ( 0.6584940 0.1764396 -0.9668596), wk = 0.0030864 k( 260) = ( 0.6584940 0.1764396 -0.9668596), wk = 0.0030864 k( 261) = ( 0.6551218 0.1755360 -0.9445635), wk = 0.0030864 k( 262) = ( 0.6517495 0.1746324 -0.9222675), wk = 0.0030864 k( 263) = ( 0.6483773 0.1737289 -0.8999715), wk = 0.0030864 k( 264) = ( 0.6450051 0.1728253 -0.8776755), wk = 0.0030864 k( 265) = ( 0.6416329 0.1719217 -0.8553795), wk = 0.0030864 k( 266) = ( 0.6382607 0.1710182 -0.8330835), wk = 0.0030864 k( 267) = ( 0.6348885 0.1701146 -0.8107875), wk = 0.0030864 k( 268) = ( 0.6315163 0.1692111 -0.7884914), wk = 0.0030864 k( 269) = ( 0.6281441 0.1683075 -0.7661954), wk = 0.0030864 k( 270) = ( 0.6247719 0.1674039 -0.7438994), wk = 0.0030864 k( 271) = ( 0.6213996 0.1665004 -0.7216034), wk = 0.0030864 k( 272) = ( 0.6180274 0.1655968 -0.6993074), wk = 0.0030864 k( 273) = ( 0.6146552 0.1646932 -0.6770114), wk = 0.0030864 k( 274) = ( 0.6112830 0.1637897 -0.6547154), wk = 0.0030864 k( 275) = ( 0.6079108 0.1628861 -0.6324194), wk = 0.0030864 k( 276) = ( 0.6045386 0.1619825 -0.6101234), wk = 0.0030864 k( 277) = ( 0.6011664 0.1610790 -0.5878274), wk = 0.0030864 k( 278) = ( 0.5977942 0.1601754 -0.5655313), wk = 0.0030864 k( 279) = ( 0.5944219 0.1592718 -0.5432353), wk = 0.0030864 k( 280) = ( 0.5910497 0.1583683 -0.5209393), wk = 0.0030864 k( 281) = ( 0.5876775 0.1574647 -0.4986433), wk = 0.0030864 k( 282) = ( 0.5843053 0.1565612 -0.4763473), wk = 0.0030864 k( 283) = ( 0.5809331 0.1556576 -0.4540513), wk = 0.0030864 k( 284) = ( 0.5775609 0.1547540 -0.4317553), wk = 0.0030864 k( 285) = ( 0.5741887 0.1538505 -0.4094593), wk = 0.0030864 k( 286) = ( 0.5708165 0.1529469 -0.3871632), wk = 0.0030864 k( 287) = ( 0.5674442 0.1520433 -0.3648672), wk = 0.0030864 k( 288) = ( 0.5640720 0.1511398 -0.3425712), wk = 0.0030864 k( 289) = ( 0.5606998 0.1502362 -0.3202752), wk = 0.0030864 k( 290) = ( 0.5573276 0.1493326 -0.2979792), wk = 0.0030864 k( 291) = ( 0.5539554 0.1484291 -0.2756832), wk = 0.0030864 k( 292) = ( 0.5505832 0.1475255 -0.2533872), wk = 0.0030864 k( 293) = ( 0.5472110 0.1466219 -0.2310912), wk = 0.0030864 k( 294) = ( 0.5438388 0.1457184 -0.2087952), wk = 0.0030864 k( 295) = ( 0.5404665 0.1448148 -0.1864992), wk = 0.0030864 k( 296) = ( 0.5370943 0.1439113 -0.1642031), wk = 0.0030864 k( 297) = ( 0.5337221 0.1430077 -0.1419071), wk = 0.0030864 k( 298) = ( 0.5303499 0.1421041 -0.1196111), wk = 0.0030864 k( 299) = ( 0.5269777 0.1412006 -0.0973151), wk = 0.0030864 k( 300) = ( 0.5236055 0.1402970 -0.0750191), wk = 0.0030864 k( 301) = ( 0.5202333 0.1393934 -0.0527231), wk = 0.0030864 k( 302) = ( 0.5168611 0.1384899 -0.0304271), wk = 0.0030864 k( 303) = ( 0.5134888 0.1375863 -0.0081311), wk = 0.0030864 k( 304) = ( 0.5101166 0.1366827 0.0141650), wk = 0.0030864 k( 305) = ( 0.5067444 0.1357792 0.0364610), wk = 0.0030864 k( 306) = ( 0.5033722 0.1348756 0.0587570), wk = 0.0030864 k( 307) = ( 0.5000000 0.1339720 0.0810530), wk = 0.0030864 k( 308) = ( 0.5000000 -0.8660444 -0.5239563), wk = 0.0030864 k( 309) = ( 0.5198118 -0.8576712 -0.5188905), wk = 0.0030864 k( 310) = ( 0.5396235 -0.8492979 -0.5138246), wk = 0.0030864 k( 311) = ( 0.5594352 -0.8409247 -0.5087588), wk = 0.0030864 k( 312) = ( 0.5792470 -0.8325514 -0.5036930), wk = 0.0030864 k( 313) = ( 0.5990587 -0.8241782 -0.4986272), wk = 0.0030864 k( 314) = ( 0.6188705 -0.8158049 -0.4935614), wk = 0.0030864 k( 315) = ( 0.6386822 -0.8074317 -0.4884956), wk = 0.0030864 k( 316) = ( 0.6584940 -0.7990584 -0.4834298), wk = 0.0030864 k( 317) = ( 0.6783057 -0.7906852 -0.4783640), wk = 0.0030864 k( 318) = ( 0.6981175 -0.7823119 -0.4732981), wk = 0.0030864 k( 319) = ( 0.7179292 -0.7739387 -0.4682323), wk = 0.0030864 k( 320) = ( 0.7377409 -0.7655654 -0.4631665), wk = 0.0030864 k( 321) = ( 0.7575527 -0.7571922 -0.4581007), wk = 0.0030864 k( 322) = ( 0.7773644 -0.7488189 -0.4530349), wk = 0.0030864 k( 323) = ( 0.7971762 -0.7404456 -0.4479691), wk = 0.0030864 k( 324) = ( 0.8169879 -0.7320724 -0.4429033), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0030864 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0030864 k( 4) = ( 0.0300000 -0.0000000 0.0000000), wk = 0.0030864 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 6) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0030864 k( 7) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0030864 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0030864 k( 11) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0030864 k( 12) = ( 0.1100000 0.0000000 -0.0000000), wk = 0.0030864 k( 13) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0030864 k( 14) = ( 0.1300000 0.0000000 -0.0000000), wk = 0.0030864 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 16) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0030864 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0030864 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0030864 k( 21) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0030864 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0030864 k( 23) = ( 0.2200000 0.0000000 -0.0000000), wk = 0.0030864 k( 24) = ( 0.2300000 0.0000000 -0.0000000), wk = 0.0030864 k( 25) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0030864 k( 26) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0030864 k( 27) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0030864 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0030864 k( 31) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0030864 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0030864 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0030864 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0030864 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 36) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0030864 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0030864 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0030864 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0030864 k( 41) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0030864 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0030864 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0030864 k( 44) = ( 0.4300000 -0.0000000 0.0000000), wk = 0.0030864 k( 45) = ( 0.4400000 0.0000000 -0.0000000), wk = 0.0030864 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 47) = ( 0.4600000 0.0000000 -0.0000000), wk = 0.0030864 k( 48) = ( 0.4700000 0.0000000 0.0000000), wk = 0.0030864 k( 49) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0030864 k( 50) = ( 0.4900000 0.0000000 0.0000000), wk = 0.0030864 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030864 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030864 k( 53) = ( 0.5000000 0.0059036 -0.0059036), wk = 0.0030864 k( 54) = ( 0.5000000 0.0118072 -0.0118072), wk = 0.0030864 k( 55) = ( 0.5000000 0.0177108 -0.0177108), wk = 0.0030864 k( 56) = ( 0.5000000 0.0236145 -0.0236145), wk = 0.0030864 k( 57) = ( 0.5000000 0.0295181 -0.0295181), wk = 0.0030864 k( 58) = ( 0.5000000 0.0354217 -0.0354217), wk = 0.0030864 k( 59) = ( 0.5000000 0.0413253 -0.0413253), wk = 0.0030864 k( 60) = ( 0.5000000 0.0472289 -0.0472289), wk = 0.0030864 k( 61) = ( 0.5000000 0.0531325 -0.0531325), wk = 0.0030864 k( 62) = ( 0.5000000 0.0590362 -0.0590362), wk = 0.0030864 k( 63) = ( 0.5000000 0.0649398 -0.0649398), wk = 0.0030864 k( 64) = ( 0.5000000 0.0708434 -0.0708434), wk = 0.0030864 k( 65) = ( 0.5000000 0.0767470 -0.0767470), wk = 0.0030864 k( 66) = ( 0.5000000 0.0826506 -0.0826506), wk = 0.0030864 k( 67) = ( 0.5000000 0.0885542 -0.0885542), wk = 0.0030864 k( 68) = ( 0.5000000 0.0944578 -0.0944578), wk = 0.0030864 k( 69) = ( 0.5000000 0.1003615 -0.1003615), wk = 0.0030864 k( 70) = ( 0.5000000 0.1062651 -0.1062651), wk = 0.0030864 k( 71) = ( 0.5000000 0.1121687 -0.1121687), wk = 0.0030864 k( 72) = ( 0.5000000 0.1180723 -0.1180723), wk = 0.0030864 k( 73) = ( 0.5000000 0.1239759 -0.1239759), wk = 0.0030864 k( 74) = ( 0.5000000 0.1298795 -0.1298795), wk = 0.0030864 k( 75) = ( 0.5000000 0.1357831 -0.1357831), wk = 0.0030864 k( 76) = ( 0.5000000 0.1416868 -0.1416868), wk = 0.0030864 k( 77) = ( 0.5000000 0.1475904 -0.1475904), wk = 0.0030864 k( 78) = ( 0.5000000 0.1534940 -0.1534940), wk = 0.0030864 k( 79) = ( 0.5000000 0.1593976 -0.1593976), wk = 0.0030864 k( 80) = ( 0.5000000 0.1653012 -0.1653012), wk = 0.0030864 k( 81) = ( 0.5000000 0.1712048 -0.1712048), wk = 0.0030864 k( 82) = ( 0.5000000 0.1771084 -0.1771085), wk = 0.0030864 k( 83) = ( 0.5000000 0.1830121 -0.1830121), wk = 0.0030864 k( 84) = ( 0.8169879 0.5000000 0.1830121), wk = 0.0030864 k( 85) = ( 0.8111178 0.5000000 0.1888822), wk = 0.0030864 k( 86) = ( 0.8052476 0.5000000 0.1947524), wk = 0.0030864 k( 87) = ( 0.7993775 0.5000000 0.2006225), wk = 0.0030864 k( 88) = ( 0.7935073 0.5000000 0.2064926), wk = 0.0030864 k( 89) = ( 0.7876372 0.5000000 0.2123628), wk = 0.0030864 k( 90) = ( 0.7817671 0.5000000 0.2182330), wk = 0.0030864 k( 91) = ( 0.7758969 0.5000000 0.2241031), wk = 0.0030864 k( 92) = ( 0.7700268 0.5000000 0.2299732), wk = 0.0030864 k( 93) = ( 0.7641566 0.5000000 0.2358434), wk = 0.0030864 k( 94) = ( 0.7582865 0.5000000 0.2417135), wk = 0.0030864 k( 95) = ( 0.7524163 0.5000000 0.2475837), wk = 0.0030864 k( 96) = ( 0.7465462 0.5000000 0.2534538), wk = 0.0030864 k( 97) = ( 0.7406760 0.5000000 0.2593240), wk = 0.0030864 k( 98) = ( 0.7348059 0.5000000 0.2651941), wk = 0.0030864 k( 99) = ( 0.7289357 0.5000000 0.2710643), wk = 0.0030864 k( 100) = ( 0.7230656 0.5000000 0.2769344), wk = 0.0030864 k( 101) = ( 0.7171954 0.5000000 0.2828046), wk = 0.0030864 k( 102) = ( 0.7113253 0.5000000 0.2886747), wk = 0.0030864 k( 103) = ( 0.7054551 0.5000000 0.2945449), wk = 0.0030864 k( 104) = ( 0.6995850 0.5000000 0.3004150), wk = 0.0030864 k( 105) = ( 0.6937148 0.5000000 0.3062852), wk = 0.0030864 k( 106) = ( 0.6878447 0.5000000 0.3121553), wk = 0.0030864 k( 107) = ( 0.6819746 0.5000000 0.3180254), wk = 0.0030864 k( 108) = ( 0.6761044 0.5000000 0.3238956), wk = 0.0030864 k( 109) = ( 0.6702343 0.5000000 0.3297657), wk = 0.0030864 k( 110) = ( 0.6643641 0.5000000 0.3356359), wk = 0.0030864 k( 111) = ( 0.6584940 0.5000000 0.3415060), wk = 0.0030864 k( 112) = ( 0.6526238 0.5000000 0.3473762), wk = 0.0030864 k( 113) = ( 0.6467537 0.5000000 0.3532463), wk = 0.0030864 k( 114) = ( 0.6408835 0.5000000 0.3591165), wk = 0.0030864 k( 115) = ( 0.6350134 0.5000000 0.3649866), wk = 0.0030864 k( 116) = ( 0.6291432 0.5000000 0.3708568), wk = 0.0030864 k( 117) = ( 0.6232731 0.5000000 0.3767269), wk = 0.0030864 k( 118) = ( 0.6174029 0.5000000 0.3825971), wk = 0.0030864 k( 119) = ( 0.6115328 0.5000000 0.3884672), wk = 0.0030864 k( 120) = ( 0.6056626 0.5000000 0.3943373), wk = 0.0030864 k( 121) = ( 0.5997925 0.5000000 0.4002075), wk = 0.0030864 k( 122) = ( 0.5939224 0.5000000 0.4060777), wk = 0.0030864 k( 123) = ( 0.5880522 0.5000000 0.4119478), wk = 0.0030864 k( 124) = ( 0.5821821 0.5000000 0.4178179), wk = 0.0030864 k( 125) = ( 0.5763119 0.5000000 0.4236881), wk = 0.0030864 k( 126) = ( 0.5704418 0.5000000 0.4295582), wk = 0.0030864 k( 127) = ( 0.5645716 0.5000000 0.4354284), wk = 0.0030864 k( 128) = ( 0.5587015 0.5000000 0.4412985), wk = 0.0030864 k( 129) = ( 0.5528313 0.5000000 0.4471687), wk = 0.0030864 k( 130) = ( 0.5469612 0.5000000 0.4530388), wk = 0.0030864 k( 131) = ( 0.5410910 0.5000000 0.4589090), wk = 0.0030864 k( 132) = ( 0.5352209 0.5000000 0.4647791), wk = 0.0030864 k( 133) = ( 0.5293507 0.5000000 0.4706493), wk = 0.0030864 k( 134) = ( 0.5234806 0.5000000 0.4765194), wk = 0.0030864 k( 135) = ( 0.5176104 0.5000000 0.4823896), wk = 0.0030864 k( 136) = ( 0.5117403 0.5000000 0.4882597), wk = 0.0030864 k( 137) = ( 0.5058702 0.5000000 0.4941298), wk = 0.0030864 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 140) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0030864 k( 141) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0030864 k( 142) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0030864 k( 143) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0030864 k( 144) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0030864 k( 145) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0030864 k( 146) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0030864 k( 147) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0030864 k( 148) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0030864 k( 149) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0030864 k( 150) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0030864 k( 151) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0030864 k( 152) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0030864 k( 153) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0030864 k( 154) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0030864 k( 155) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0030864 k( 156) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0030864 k( 157) = ( 0.1086957 0.1086957 0.1086956), wk = 0.0030864 k( 158) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0030864 k( 159) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0030864 k( 160) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0030864 k( 161) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0030864 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 164) = ( 0.0058880 -0.0000000 -0.0058880), wk = 0.0030864 k( 165) = ( 0.0117761 0.0000000 -0.0117761), wk = 0.0030864 k( 166) = ( 0.0176641 -0.0000000 -0.0176641), wk = 0.0030864 k( 167) = ( 0.0235521 0.0000000 -0.0235521), wk = 0.0030864 k( 168) = ( 0.0294402 -0.0000000 -0.0294402), wk = 0.0030864 k( 169) = ( 0.0353282 -0.0000000 -0.0353282), wk = 0.0030864 k( 170) = ( 0.0412163 -0.0000000 -0.0412163), wk = 0.0030864 k( 171) = ( 0.0471043 0.0000000 -0.0471043), wk = 0.0030864 k( 172) = ( 0.0529923 0.0000000 -0.0529923), wk = 0.0030864 k( 173) = ( 0.0588803 -0.0000000 -0.0588804), wk = 0.0030864 k( 174) = ( 0.0647684 -0.0000000 -0.0647684), wk = 0.0030864 k( 175) = ( 0.0706564 -0.0000000 -0.0706564), wk = 0.0030864 k( 176) = ( 0.0765445 0.0000000 -0.0765445), wk = 0.0030864 k( 177) = ( 0.0824325 -0.0000000 -0.0824325), wk = 0.0030864 k( 178) = ( 0.0883205 0.0000000 -0.0883205), wk = 0.0030864 k( 179) = ( 0.0942086 0.0000000 -0.0942086), wk = 0.0030864 k( 180) = ( 0.1000966 -0.0000000 -0.1000966), wk = 0.0030864 k( 181) = ( 0.1059846 -0.0000000 -0.1059846), wk = 0.0030864 k( 182) = ( 0.1118727 -0.0000000 -0.1118727), wk = 0.0030864 k( 183) = ( 0.1177607 -0.0000000 -0.1177607), wk = 0.0030864 k( 184) = ( 0.1236487 -0.0000000 -0.1236487), wk = 0.0030864 k( 185) = ( 0.1295368 0.0000000 -0.1295368), wk = 0.0030864 k( 186) = ( 0.1354248 0.0000000 -0.1354248), wk = 0.0030864 k( 187) = ( 0.1413128 -0.0000000 -0.1413128), wk = 0.0030864 k( 188) = ( 0.1472009 -0.0000000 -0.1472009), wk = 0.0030864 k( 189) = ( 0.1530889 0.0000000 -0.1530889), wk = 0.0030864 k( 190) = ( 0.1589770 0.0000000 -0.1589770), wk = 0.0030864 k( 191) = ( 0.1648650 -0.0000000 -0.1648650), wk = 0.0030864 k( 192) = ( 0.1707530 0.0000000 -0.1707530), wk = 0.0030864 k( 193) = ( 0.1766410 0.0000000 -0.1766411), wk = 0.0030864 k( 194) = ( 0.1825291 0.0000000 -0.1825291), wk = 0.0030864 k( 195) = ( 0.1884171 0.0000000 -0.1884171), wk = 0.0030864 k( 196) = ( 0.1943052 -0.0000000 -0.1943052), wk = 0.0030864 k( 197) = ( 0.2001932 -0.0000000 -0.2001932), wk = 0.0030864 k( 198) = ( 0.2060812 -0.0000000 -0.2060812), wk = 0.0030864 k( 199) = ( 0.2119693 -0.0000000 -0.2119693), wk = 0.0030864 k( 200) = ( 0.2178573 0.0000000 -0.2178573), wk = 0.0030864 k( 201) = ( 0.2237453 -0.0000000 -0.2237453), wk = 0.0030864 k( 202) = ( 0.2296334 0.0000000 -0.2296334), wk = 0.0030864 k( 203) = ( 0.2355214 -0.0000000 -0.2355214), wk = 0.0030864 k( 204) = ( 0.2414094 0.0000000 -0.2414094), wk = 0.0030864 k( 205) = ( 0.2472975 0.0000000 -0.2472975), wk = 0.0030864 k( 206) = ( 0.2531855 0.0000000 -0.2531855), wk = 0.0030864 k( 207) = ( 0.2590735 0.0000000 -0.2590735), wk = 0.0030864 k( 208) = ( 0.2649616 0.0000000 -0.2649616), wk = 0.0030864 k( 209) = ( 0.2708496 0.0000000 -0.2708496), wk = 0.0030864 k( 210) = ( 0.2767377 -0.0000000 -0.2767377), wk = 0.0030864 k( 211) = ( 0.2826257 -0.0000000 -0.2826257), wk = 0.0030864 k( 212) = ( 0.2885137 0.0000000 -0.2885137), wk = 0.0030864 k( 213) = ( 0.2944018 0.0000000 -0.2944018), wk = 0.0030864 k( 214) = ( 0.3002898 -0.0000000 -0.3002898), wk = 0.0030864 k( 215) = ( 0.3061778 0.0000000 -0.3061778), wk = 0.0030864 k( 216) = ( 0.3120659 0.0000000 -0.3120659), wk = 0.0030864 k( 217) = ( 0.3179539 0.0000000 -0.3179539), wk = 0.0030864 k( 218) = ( 0.3238419 0.0000000 -0.3238419), wk = 0.0030864 k( 219) = ( 0.3297300 -0.0000000 -0.3297300), wk = 0.0030864 k( 220) = ( 0.3356180 0.0000000 -0.3356180), wk = 0.0030864 k( 221) = ( 0.3415060 -0.0000000 -0.3415060), wk = 0.0030864 k( 222) = ( 0.6584940 0.3415060 -0.0000000), wk = 0.0030864 k( 223) = ( 0.6526238 0.3473762 -0.0000000), wk = 0.0030864 k( 224) = ( 0.6467537 0.3532463 -0.0000000), wk = 0.0030864 k( 225) = ( 0.6408835 0.3591165 -0.0000000), wk = 0.0030864 k( 226) = ( 0.6350134 0.3649866 -0.0000000), wk = 0.0030864 k( 227) = ( 0.6291432 0.3708568 0.0000000), wk = 0.0030864 k( 228) = ( 0.6232731 0.3767269 -0.0000000), wk = 0.0030864 k( 229) = ( 0.6174029 0.3825971 -0.0000000), wk = 0.0030864 k( 230) = ( 0.6115328 0.3884672 -0.0000000), wk = 0.0030864 k( 231) = ( 0.6056626 0.3943374 -0.0000000), wk = 0.0030864 k( 232) = ( 0.5997925 0.4002075 -0.0000000), wk = 0.0030864 k( 233) = ( 0.5939224 0.4060777 -0.0000000), wk = 0.0030864 k( 234) = ( 0.5880522 0.4119478 0.0000000), wk = 0.0030864 k( 235) = ( 0.5821821 0.4178179 -0.0000000), wk = 0.0030864 k( 236) = ( 0.5763119 0.4236881 -0.0000000), wk = 0.0030864 k( 237) = ( 0.5704418 0.4295582 -0.0000000), wk = 0.0030864 k( 238) = ( 0.5645716 0.4354284 -0.0000000), wk = 0.0030864 k( 239) = ( 0.5587015 0.4412985 -0.0000000), wk = 0.0030864 k( 240) = ( 0.5528313 0.4471687 -0.0000000), wk = 0.0030864 k( 241) = ( 0.5469612 0.4530388 -0.0000000), wk = 0.0030864 k( 242) = ( 0.5410910 0.4589090 -0.0000000), wk = 0.0030864 k( 243) = ( 0.5352209 0.4647791 -0.0000000), wk = 0.0030864 k( 244) = ( 0.5293507 0.4706493 -0.0000000), wk = 0.0030864 k( 245) = ( 0.5234806 0.4765194 -0.0000000), wk = 0.0030864 k( 246) = ( 0.5176104 0.4823896 -0.0000000), wk = 0.0030864 k( 247) = ( 0.5117403 0.4882597 -0.0000000), wk = 0.0030864 k( 248) = ( 0.5058702 0.4941299 -0.0000000), wk = 0.0030864 k( 249) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 250) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 251) = ( 0.5176104 0.5176104 0.0203347), wk = 0.0030864 k( 252) = ( 0.5352209 0.5352209 0.0406693), wk = 0.0030864 k( 253) = ( 0.5528313 0.5528313 0.0610040), wk = 0.0030864 k( 254) = ( 0.5704418 0.5704418 0.0813387), wk = 0.0030864 k( 255) = ( 0.5880522 0.5880522 0.1016734), wk = 0.0030864 k( 256) = ( 0.6056626 0.6056626 0.1220080), wk = 0.0030864 k( 257) = ( 0.6232731 0.6232731 0.1423427), wk = 0.0030864 k( 258) = ( 0.6408835 0.6408835 0.1626774), wk = 0.0030864 k( 259) = ( 0.6584940 0.6584940 0.1830121), wk = 0.0030864 k( 260) = ( 0.6584940 0.6584940 0.1830121), wk = 0.0030864 k( 261) = ( 0.6551218 0.6551218 0.1897565), wk = 0.0030864 k( 262) = ( 0.6517495 0.6517495 0.1965009), wk = 0.0030864 k( 263) = ( 0.6483773 0.6483773 0.2032453), wk = 0.0030864 k( 264) = ( 0.6450051 0.6450051 0.2099898), wk = 0.0030864 k( 265) = ( 0.6416329 0.6416329 0.2167342), wk = 0.0030864 k( 266) = ( 0.6382607 0.6382607 0.2234786), wk = 0.0030864 k( 267) = ( 0.6348885 0.6348885 0.2302230), wk = 0.0030864 k( 268) = ( 0.6315163 0.6315163 0.2369675), wk = 0.0030864 k( 269) = ( 0.6281441 0.6281441 0.2437119), wk = 0.0030864 k( 270) = ( 0.6247719 0.6247719 0.2504563), wk = 0.0030864 k( 271) = ( 0.6213996 0.6213996 0.2572007), wk = 0.0030864 k( 272) = ( 0.6180274 0.6180274 0.2639451), wk = 0.0030864 k( 273) = ( 0.6146552 0.6146552 0.2706896), wk = 0.0030864 k( 274) = ( 0.6112830 0.6112830 0.2774340), wk = 0.0030864 k( 275) = ( 0.6079108 0.6079108 0.2841784), wk = 0.0030864 k( 276) = ( 0.6045386 0.6045386 0.2909228), wk = 0.0030864 k( 277) = ( 0.6011664 0.6011664 0.2976673), wk = 0.0030864 k( 278) = ( 0.5977942 0.5977942 0.3044117), wk = 0.0030864 k( 279) = ( 0.5944219 0.5944219 0.3111561), wk = 0.0030864 k( 280) = ( 0.5910497 0.5910497 0.3179006), wk = 0.0030864 k( 281) = ( 0.5876775 0.5876775 0.3246450), wk = 0.0030864 k( 282) = ( 0.5843053 0.5843053 0.3313894), wk = 0.0030864 k( 283) = ( 0.5809331 0.5809331 0.3381338), wk = 0.0030864 k( 284) = ( 0.5775609 0.5775609 0.3448782), wk = 0.0030864 k( 285) = ( 0.5741887 0.5741887 0.3516227), wk = 0.0030864 k( 286) = ( 0.5708165 0.5708165 0.3583671), wk = 0.0030864 k( 287) = ( 0.5674442 0.5674442 0.3651115), wk = 0.0030864 k( 288) = ( 0.5640720 0.5640720 0.3718559), wk = 0.0030864 k( 289) = ( 0.5606998 0.5606998 0.3786004), wk = 0.0030864 k( 290) = ( 0.5573276 0.5573276 0.3853448), wk = 0.0030864 k( 291) = ( 0.5539554 0.5539554 0.3920892), wk = 0.0030864 k( 292) = ( 0.5505832 0.5505832 0.3988336), wk = 0.0030864 k( 293) = ( 0.5472110 0.5472110 0.4055781), wk = 0.0030864 k( 294) = ( 0.5438388 0.5438388 0.4123225), wk = 0.0030864 k( 295) = ( 0.5404665 0.5404666 0.4190669), wk = 0.0030864 k( 296) = ( 0.5370943 0.5370943 0.4258113), wk = 0.0030864 k( 297) = ( 0.5337221 0.5337221 0.4325558), wk = 0.0030864 k( 298) = ( 0.5303499 0.5303499 0.4393002), wk = 0.0030864 k( 299) = ( 0.5269777 0.5269777 0.4460446), wk = 0.0030864 k( 300) = ( 0.5236055 0.5236055 0.4527890), wk = 0.0030864 k( 301) = ( 0.5202333 0.5202333 0.4595335), wk = 0.0030864 k( 302) = ( 0.5168611 0.5168611 0.4662779), wk = 0.0030864 k( 303) = ( 0.5134888 0.5134889 0.4730223), wk = 0.0030864 k( 304) = ( 0.5101166 0.5101166 0.4797667), wk = 0.0030864 k( 305) = ( 0.5067444 0.5067444 0.4865111), wk = 0.0030864 k( 306) = ( 0.5033722 0.5033722 0.4932556), wk = 0.0030864 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 308) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030864 k( 309) = ( 0.5198118 0.0213441 0.0213441), wk = 0.0030864 k( 310) = ( 0.5396235 0.0426882 0.0426882), wk = 0.0030864 k( 311) = ( 0.5594352 0.0640324 0.0640324), wk = 0.0030864 k( 312) = ( 0.5792470 0.0853765 0.0853765), wk = 0.0030864 k( 313) = ( 0.5990587 0.1067206 0.1067206), wk = 0.0030864 k( 314) = ( 0.6188705 0.1280648 0.1280648), wk = 0.0030864 k( 315) = ( 0.6386822 0.1494089 0.1494089), wk = 0.0030864 k( 316) = ( 0.6584940 0.1707530 0.1707530), wk = 0.0030864 k( 317) = ( 0.6783057 0.1920971 0.1920971), wk = 0.0030864 k( 318) = ( 0.6981175 0.2134413 0.2134413), wk = 0.0030864 k( 319) = ( 0.7179292 0.2347854 0.2347854), wk = 0.0030864 k( 320) = ( 0.7377409 0.2561295 0.2561295), wk = 0.0030864 k( 321) = ( 0.7575527 0.2774736 0.2774737), wk = 0.0030864 k( 322) = ( 0.7773644 0.2988178 0.2988178), wk = 0.0030864 k( 323) = ( 0.7971762 0.3201619 0.3201619), wk = 0.0030864 k( 324) = ( 0.8169879 0.3415060 0.3415060), wk = 0.0030864 Dense grid: 53731 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 26411 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 192, 40) NL pseudopotentials 0.14 Mb ( 96, 96) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1493) G-vector shells 0.01 Mb ( 1241) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 192, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ca2BrN.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.8 secs Computing kpt #: 8 total cpu time spent up to now is 9.6 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 14.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.0 secs Computing kpt #: 15 total cpu time spent up to now is 15.8 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 secs Computing kpt #: 17 total cpu time spent up to now is 17.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.4 secs Computing kpt #: 19 total cpu time spent up to now is 19.4 secs Computing kpt #: 20 total cpu time spent up to now is 20.4 secs Computing kpt #: 21 total cpu time spent up to now is 21.7 secs Computing kpt #: 22 total cpu time spent up to now is 22.8 secs Computing kpt #: 23 total cpu time spent up to now is 24.0 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.7 secs Computing kpt #: 25 total cpu time spent up to now is 26.6 secs Computing kpt #: 26 total cpu time spent up to now is 27.5 secs Computing kpt #: 27 total cpu time spent up to now is 28.5 secs Computing kpt #: 28 total cpu time spent up to now is 29.3 secs Computing kpt #: 29 total cpu time spent up to now is 30.1 secs Computing kpt #: 30 total cpu time spent up to now is 30.9 secs Computing kpt #: 31 total cpu time spent up to now is 31.8 secs Computing kpt #: 32 total cpu time spent up to now is 32.6 secs Computing kpt #: 33 total cpu time spent up to now is 33.3 secs Computing kpt #: 34 total cpu time spent up to now is 34.1 secs Computing kpt #: 35 total cpu time spent up to now is 34.9 secs Computing kpt #: 36 total cpu time spent up to now is 35.6 secs Computing kpt #: 37 total cpu time spent up to now is 36.4 secs Computing kpt #: 38 total cpu time spent up to now is 37.1 secs Computing kpt #: 39 total cpu time spent up to now is 37.8 secs Computing kpt #: 40 total cpu time spent up to now is 38.5 secs Computing kpt #: 41 total cpu time spent up to now is 39.2 secs Computing kpt #: 42 total cpu time spent up to now is 39.9 secs Computing kpt #: 43 total cpu time spent up to now is 40.6 secs Computing kpt #: 44 total cpu time spent up to now is 41.3 secs Computing kpt #: 45 total cpu time spent up to now is 41.9 secs Computing kpt #: 46 total cpu time spent up to now is 42.6 secs Computing kpt #: 47 total cpu time spent up to now is 43.3 secs Computing kpt #: 48 total cpu time spent up to now is 43.9 secs Computing kpt #: 49 total cpu time spent up to now is 44.6 secs Computing kpt #: 50 total cpu time spent up to now is 45.3 secs Computing kpt #: 51 total cpu time spent up to now is 45.9 secs Computing kpt #: 52 total cpu time spent up to now is 46.6 secs Computing kpt #: 53 total cpu time spent up to now is 47.3 secs Computing kpt #: 54 total cpu time spent up to now is 47.9 secs Computing kpt #: 55 total cpu time spent up to now is 48.6 secs Computing kpt #: 56 total cpu time spent up to now is 49.3 secs Computing kpt #: 57 total cpu time spent up to now is 50.0 secs Computing kpt #: 58 total cpu time spent up to now is 50.7 secs Computing kpt #: 59 total cpu time spent up to now is 51.5 secs Computing kpt #: 60 total cpu time spent up to now is 52.3 secs Computing kpt #: 61 total cpu time spent up to now is 53.2 secs Computing kpt #: 62 total cpu time spent up to now is 54.0 secs Computing kpt #: 63 total cpu time spent up to now is 55.0 secs Computing kpt #: 64 total cpu time spent up to now is 56.1 secs Computing kpt #: 65 total cpu time spent up to now is 57.0 secs Computing kpt #: 66 total cpu time spent up to now is 57.8 secs Computing kpt #: 67 total cpu time spent up to now is 58.6 secs Computing kpt #: 68 total cpu time spent up to now is 59.4 secs Computing kpt #: 69 total cpu time spent up to now is 60.2 secs Computing kpt #: 70 total cpu time spent up to now is 60.9 secs Computing kpt #: 71 total cpu time spent up to now is 61.6 secs Computing kpt #: 72 total cpu time spent up to now is 62.3 secs Computing kpt #: 73 total cpu time spent up to now is 63.0 secs Computing kpt #: 74 total cpu time spent up to now is 63.7 secs Computing kpt #: 75 total cpu time spent up to now is 64.4 secs Computing kpt #: 76 total cpu time spent up to now is 65.1 secs Computing kpt #: 77 total cpu time spent up to now is 65.8 secs Computing kpt #: 78 total cpu time spent up to now is 66.5 secs Computing kpt #: 79 total cpu time spent up to now is 67.2 secs Computing kpt #: 80 total cpu time spent up to now is 69.2 secs Computing kpt #: 81 total cpu time spent up to now is 69.9 secs Computing kpt #: 82 total cpu time spent up to now is 70.6 secs Computing kpt #: 83 total cpu time spent up to now is 71.4 secs Computing kpt #: 84 total cpu time spent up to now is 72.1 secs Computing kpt #: 85 total cpu time spent up to now is 72.9 secs Computing kpt #: 86 total cpu time spent up to now is 73.6 secs Computing kpt #: 87 total cpu time spent up to now is 74.4 secs Computing kpt #: 88 total cpu time spent up to now is 75.2 secs Computing kpt #: 89 total cpu time spent up to now is 76.0 secs Computing kpt #: 90 total cpu time spent up to now is 76.8 secs Computing kpt #: 91 total cpu time spent up to now is 77.6 secs Computing kpt #: 92 total cpu time spent up to now is 78.4 secs Computing kpt #: 93 total cpu time spent up to now is 79.2 secs Computing kpt #: 94 total cpu time spent up to now is 80.0 secs Computing kpt #: 95 total cpu time spent up to now is 80.8 secs Computing kpt #: 96 total cpu time spent up to now is 81.7 secs Computing kpt #: 97 total cpu time spent up to now is 82.5 secs Computing kpt #: 98 total cpu time spent up to now is 83.3 secs Computing kpt #: 99 total cpu time spent up to now is 84.1 secs Computing kpt #: 100 total cpu time spent up to now is 85.0 secs Computing kpt #: 101 total cpu time spent up to now is 85.8 secs Computing kpt #: 102 total cpu time spent up to now is 86.6 secs Computing kpt #: 103 total cpu time spent up to now is 87.4 secs Computing kpt #: 104 total cpu time spent up to now is 88.2 secs Computing kpt #: 105 total cpu time spent up to now is 89.0 secs Computing kpt #: 106 total cpu time spent up to now is 89.8 secs Computing kpt #: 107 total cpu time spent up to now is 90.6 secs Computing kpt #: 108 total cpu time spent up to now is 91.4 secs Computing kpt #: 109 total cpu time spent up to now is 92.2 secs Computing kpt #: 110 total cpu time spent up to now is 93.0 secs Computing kpt #: 111 total cpu time spent up to now is 93.9 secs Computing kpt #: 112 total cpu time spent up to now is 94.7 secs Computing kpt #: 113 total cpu time spent up to now is 95.5 secs Computing kpt #: 114 total cpu time spent up to now is 96.3 secs Computing kpt #: 115 total cpu time spent up to now is 97.2 secs Computing kpt #: 116 total cpu time spent up to now is 98.0 secs Computing kpt #: 117 total cpu time spent up to now is 98.8 secs Computing kpt #: 118 total cpu time spent up to now is 99.7 secs Computing kpt #: 119 total cpu time spent up to now is 100.5 secs Computing kpt #: 120 total cpu time spent up to now is 101.4 secs Computing kpt #: 121 total cpu time spent up to now is 102.3 secs Computing kpt #: 122 total cpu time spent up to now is 103.4 secs Computing kpt #: 123 total cpu time spent up to now is 104.5 secs Computing kpt #: 124 total cpu time spent up to now is 105.7 secs Computing kpt #: 125 total cpu time spent up to now is 107.0 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.7 secs Computing kpt #: 127 total cpu time spent up to now is 110.1 secs Computing kpt #: 128 total cpu time spent up to now is 111.3 secs Computing kpt #: 129 total cpu time spent up to now is 112.5 secs Computing kpt #: 130 total cpu time spent up to now is 113.6 secs Computing kpt #: 131 total cpu time spent up to now is 114.8 secs Computing kpt #: 132 total cpu time spent up to now is 115.9 secs Computing kpt #: 133 total cpu time spent up to now is 116.8 secs Computing kpt #: 134 total cpu time spent up to now is 117.8 secs Computing kpt #: 135 total cpu time spent up to now is 118.9 secs Computing kpt #: 136 total cpu time spent up to now is 119.9 secs Computing kpt #: 137 total cpu time spent up to now is 120.9 secs Computing kpt #: 138 total cpu time spent up to now is 121.8 secs Computing kpt #: 139 total cpu time spent up to now is 122.7 secs Computing kpt #: 140 total cpu time spent up to now is 123.5 secs Computing kpt #: 141 total cpu time spent up to now is 124.4 secs Computing kpt #: 142 total cpu time spent up to now is 125.3 secs Computing kpt #: 143 total cpu time spent up to now is 126.1 secs Computing kpt #: 144 total cpu time spent up to now is 126.9 secs Computing kpt #: 145 total cpu time spent up to now is 127.8 secs Computing kpt #: 146 total cpu time spent up to now is 128.6 secs Computing kpt #: 147 total cpu time spent up to now is 129.5 secs Computing kpt #: 148 total cpu time spent up to now is 130.3 secs Computing kpt #: 149 total cpu time spent up to now is 131.1 secs Computing kpt #: 150 total cpu time spent up to now is 132.0 secs Computing kpt #: 151 total cpu time spent up to now is 132.8 secs Computing kpt #: 152 total cpu time spent up to now is 133.6 secs Computing kpt #: 153 total cpu time spent up to now is 134.5 secs Computing kpt #: 154 total cpu time spent up to now is 135.3 secs Computing kpt #: 155 total cpu time spent up to now is 136.1 secs Computing kpt #: 156 total cpu time spent up to now is 136.9 secs Computing kpt #: 157 total cpu time spent up to now is 137.7 secs Computing kpt #: 158 total cpu time spent up to now is 138.5 secs Computing kpt #: 159 total cpu time spent up to now is 139.3 secs Computing kpt #: 160 total cpu time spent up to now is 140.1 secs Computing kpt #: 161 total cpu time spent up to now is 140.9 secs Computing kpt #: 162 total cpu time spent up to now is 141.7 secs Computing kpt #: 163 total cpu time spent up to now is 142.4 secs Computing kpt #: 164 total cpu time spent up to now is 143.2 secs Computing kpt #: 165 total cpu time spent up to now is 144.0 secs Computing kpt #: 166 total cpu time spent up to now is 144.9 secs Computing kpt #: 167 total cpu time spent up to now is 145.7 secs Computing kpt #: 168 total cpu time spent up to now is 146.5 secs Computing kpt #: 169 total cpu time spent up to now is 147.3 secs Computing kpt #: 170 total cpu time spent up to now is 148.1 secs Computing kpt #: 171 total cpu time spent up to now is 149.0 secs Computing kpt #: 172 total cpu time spent up to now is 149.9 secs Computing kpt #: 173 total cpu time spent up to now is 150.8 secs Computing kpt #: 174 total cpu time spent up to now is 151.7 secs Computing kpt #: 175 total cpu time spent up to now is 152.6 secs Computing kpt #: 176 total cpu time spent up to now is 153.4 secs Computing kpt #: 177 total cpu time spent up to now is 154.4 secs Computing kpt #: 178 total cpu time spent up to now is 155.4 secs Computing kpt #: 179 total cpu time spent up to now is 156.7 secs Computing kpt #: 180 total cpu time spent up to now is 158.1 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.7 secs Computing kpt #: 182 total cpu time spent up to now is 160.9 secs Computing kpt #: 183 total cpu time spent up to now is 162.0 secs Computing kpt #: 184 total cpu time spent up to now is 163.4 secs Computing kpt #: 185 total cpu time spent up to now is 164.6 secs Computing kpt #: 186 total cpu time spent up to now is 165.9 secs Computing kpt #: 187 total cpu time spent up to now is 167.1 secs Computing kpt #: 188 total cpu time spent up to now is 168.2 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.8 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.5 secs Computing kpt #: 191 total cpu time spent up to now is 172.5 secs Computing kpt #: 192 total cpu time spent up to now is 173.5 secs Computing kpt #: 193 total cpu time spent up to now is 174.4 secs Computing kpt #: 194 total cpu time spent up to now is 175.3 secs Computing kpt #: 195 total cpu time spent up to now is 176.2 secs Computing kpt #: 196 total cpu time spent up to now is 177.0 secs Computing kpt #: 197 total cpu time spent up to now is 177.8 secs Computing kpt #: 198 total cpu time spent up to now is 178.6 secs Computing kpt #: 199 total cpu time spent up to now is 179.4 secs Computing kpt #: 200 total cpu time spent up to now is 180.1 secs Computing kpt #: 201 total cpu time spent up to now is 180.9 secs Computing kpt #: 202 total cpu time spent up to now is 181.6 secs Computing kpt #: 203 total cpu time spent up to now is 182.3 secs Computing kpt #: 204 total cpu time spent up to now is 183.0 secs Computing kpt #: 205 total cpu time spent up to now is 183.7 secs Computing kpt #: 206 total cpu time spent up to now is 184.4 secs Computing kpt #: 207 total cpu time spent up to now is 185.1 secs Computing kpt #: 208 total cpu time spent up to now is 185.8 secs Computing kpt #: 209 total cpu time spent up to now is 186.5 secs Computing kpt #: 210 total cpu time spent up to now is 187.1 secs Computing kpt #: 211 total cpu time spent up to now is 187.8 secs Computing kpt #: 212 total cpu time spent up to now is 188.5 secs Computing kpt #: 213 total cpu time spent up to now is 189.2 secs Computing kpt #: 214 total cpu time spent up to now is 189.8 secs Computing kpt #: 215 total cpu time spent up to now is 190.5 secs Computing kpt #: 216 total cpu time spent up to now is 191.2 secs Computing kpt #: 217 total cpu time spent up to now is 192.0 secs Computing kpt #: 218 total cpu time spent up to now is 192.8 secs Computing kpt #: 219 total cpu time spent up to now is 193.6 secs Computing kpt #: 220 total cpu time spent up to now is 194.4 secs Computing kpt #: 221 total cpu time spent up to now is 195.2 secs Computing kpt #: 222 total cpu time spent up to now is 196.1 secs Computing kpt #: 223 total cpu time spent up to now is 197.0 secs Computing kpt #: 224 total cpu time spent up to now is 197.9 secs Computing kpt #: 225 total cpu time spent up to now is 198.8 secs Computing kpt #: 226 total cpu time spent up to now is 199.7 secs Computing kpt #: 227 total cpu time spent up to now is 200.6 secs Computing kpt #: 228 total cpu time spent up to now is 201.6 secs Computing kpt #: 229 total cpu time spent up to now is 202.5 secs Computing kpt #: 230 total cpu time spent up to now is 203.4 secs Computing kpt #: 231 total cpu time spent up to now is 204.4 secs Computing kpt #: 232 total cpu time spent up to now is 205.8 secs Computing kpt #: 233 total cpu time spent up to now is 206.8 secs Computing kpt #: 234 total cpu time spent up to now is 207.9 secs Computing kpt #: 235 total cpu time spent up to now is 209.1 secs Computing kpt #: 236 total cpu time spent up to now is 210.0 secs Computing kpt #: 237 total cpu time spent up to now is 211.0 secs Computing kpt #: 238 total cpu time spent up to now is 211.9 secs Computing kpt #: 239 total cpu time spent up to now is 212.9 secs Computing kpt #: 240 total cpu time spent up to now is 213.8 secs Computing kpt #: 241 total cpu time spent up to now is 214.8 secs Computing kpt #: 242 total cpu time spent up to now is 215.7 secs Computing kpt #: 243 total cpu time spent up to now is 216.7 secs Computing kpt #: 244 total cpu time spent up to now is 217.8 secs Computing kpt #: 245 total cpu time spent up to now is 218.8 secs Computing kpt #: 246 total cpu time spent up to now is 220.0 secs Computing kpt #: 247 total cpu time spent up to now is 221.3 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.9 secs Computing kpt #: 249 total cpu time spent up to now is 223.6 secs Computing kpt #: 250 total cpu time spent up to now is 224.4 secs Computing kpt #: 251 total cpu time spent up to now is 225.1 secs Computing kpt #: 252 total cpu time spent up to now is 226.1 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.7 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.3 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.8 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.4 secs Computing kpt #: 257 total cpu time spent up to now is 233.7 secs Computing kpt #: 258 total cpu time spent up to now is 234.7 secs Computing kpt #: 259 total cpu time spent up to now is 235.6 secs Computing kpt #: 260 total cpu time spent up to now is 236.5 secs Computing kpt #: 261 total cpu time spent up to now is 237.7 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 239.2 secs Computing kpt #: 263 total cpu time spent up to now is 240.4 secs Computing kpt #: 264 total cpu time spent up to now is 241.5 secs Computing kpt #: 265 total cpu time spent up to now is 242.8 secs Computing kpt #: 266 total cpu time spent up to now is 244.0 secs Computing kpt #: 267 total cpu time spent up to now is 245.1 secs Computing kpt #: 268 total cpu time spent up to now is 246.2 secs Computing kpt #: 269 total cpu time spent up to now is 247.1 secs Computing kpt #: 270 total cpu time spent up to now is 248.1 secs Computing kpt #: 271 total cpu time spent up to now is 249.0 secs Computing kpt #: 272 total cpu time spent up to now is 250.0 secs Computing kpt #: 273 total cpu time spent up to now is 250.9 secs Computing kpt #: 274 total cpu time spent up to now is 251.8 secs Computing kpt #: 275 total cpu time spent up to now is 252.8 secs Computing kpt #: 276 total cpu time spent up to now is 253.7 secs Computing kpt #: 277 total cpu time spent up to now is 254.7 secs Computing kpt #: 278 total cpu time spent up to now is 255.6 secs Computing kpt #: 279 total cpu time spent up to now is 256.6 secs Computing kpt #: 280 total cpu time spent up to now is 257.6 secs Computing kpt #: 281 total cpu time spent up to now is 258.6 secs Computing kpt #: 282 total cpu time spent up to now is 259.5 secs Computing kpt #: 283 total cpu time spent up to now is 260.5 secs Computing kpt #: 284 total cpu time spent up to now is 261.5 secs Computing kpt #: 285 total cpu time spent up to now is 262.5 secs Computing kpt #: 286 total cpu time spent up to now is 263.7 secs Computing kpt #: 287 total cpu time spent up to now is 264.7 secs Computing kpt #: 288 total cpu time spent up to now is 265.8 secs Computing kpt #: 289 total cpu time spent up to now is 266.8 secs Computing kpt #: 290 total cpu time spent up to now is 268.0 secs Computing kpt #: 291 total cpu time spent up to now is 269.2 secs Computing kpt #: 292 total cpu time spent up to now is 270.4 secs Computing kpt #: 293 total cpu time spent up to now is 271.7 secs Computing kpt #: 294 total cpu time spent up to now is 272.8 secs Computing kpt #: 295 total cpu time spent up to now is 274.0 secs Computing kpt #: 296 total cpu time spent up to now is 275.1 secs Computing kpt #: 297 total cpu time spent up to now is 276.1 secs Computing kpt #: 298 total cpu time spent up to now is 277.2 secs Computing kpt #: 299 total cpu time spent up to now is 278.3 secs Computing kpt #: 300 total cpu time spent up to now is 279.3 secs Computing kpt #: 301 total cpu time spent up to now is 280.3 secs Computing kpt #: 302 total cpu time spent up to now is 281.5 secs Computing kpt #: 303 total cpu time spent up to now is 282.4 secs Computing kpt #: 304 total cpu time spent up to now is 283.3 secs Computing kpt #: 305 total cpu time spent up to now is 284.2 secs Computing kpt #: 306 total cpu time spent up to now is 285.1 secs Computing kpt #: 307 total cpu time spent up to now is 286.0 secs Computing kpt #: 308 total cpu time spent up to now is 286.7 secs Computing kpt #: 309 total cpu time spent up to now is 287.4 secs Computing kpt #: 310 total cpu time spent up to now is 288.0 secs Computing kpt #: 311 total cpu time spent up to now is 288.7 secs Computing kpt #: 312 total cpu time spent up to now is 289.3 secs Computing kpt #: 313 total cpu time spent up to now is 290.0 secs Computing kpt #: 314 total cpu time spent up to now is 290.7 secs Computing kpt #: 315 total cpu time spent up to now is 291.3 secs Computing kpt #: 316 total cpu time spent up to now is 292.0 secs Computing kpt #: 317 total cpu time spent up to now is 292.7 secs Computing kpt #: 318 total cpu time spent up to now is 293.5 secs Computing kpt #: 319 total cpu time spent up to now is 294.2 secs Computing kpt #: 320 total cpu time spent up to now is 294.9 secs Computing kpt #: 321 total cpu time spent up to now is 295.7 secs Computing kpt #: 322 total cpu time spent up to now is 296.5 secs Computing kpt #: 323 total cpu time spent up to now is 297.4 secs Computing kpt #: 324 total cpu time spent up to now is 298.3 secs ethr = 3.13E-08, avg # of iterations = 45.3 total cpu time spent up to now is 298.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3918 -13.3918 -13.0918 -13.0918 -12.9354 -12.9354 -12.7618 -12.7618 -12.7289 -12.7289 -12.6875 -12.6875 -8.4389 -8.4389 -3.5631 -3.5631 2.5531 2.5531 4.7934 4.7934 5.1367 5.1367 6.5624 6.5624 7.1272 7.1272 7.1539 7.1539 9.8898 9.8898 11.3987 11.3987 11.6590 11.6590 11.6629 11.6629 k = 0.0100-0.0173-0.0105 ( 3285 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3917 -13.3917 -13.0920 -13.0920 -12.9355 -12.9355 -12.7621 -12.7621 -12.7288 -12.7288 -12.6877 -12.6877 -8.4385 -8.4385 -3.5628 -3.5628 2.5538 2.5538 4.7914 4.7914 5.1345 5.1345 6.5626 6.5626 7.1256 7.1256 7.1523 7.1523 9.8947 9.8947 11.4021 11.4021 11.6566 11.6566 11.6633 11.6633 k = 0.0200-0.0346-0.0210 ( 3285 PWs) bands (ev): -31.9499 -31.9499 -31.8768 -31.8768 -13.3914 -13.3914 -13.0925 -13.0925 -12.9356 -12.9356 -12.7630 -12.7630 -12.7286 -12.7286 -12.6882 -12.6882 -8.4372 -8.4372 -3.5621 -3.5621 2.5560 2.5560 4.7852 4.7852 5.1281 5.1281 6.5633 6.5633 7.1198 7.1198 7.1485 7.1485 9.9094 9.9094 11.4121 11.4121 11.6465 11.6465 11.6682 11.6682 k = 0.0300-0.0520-0.0314 ( 3287 PWs) bands (ev): -31.9497 -31.9497 -31.8767 -31.8767 -13.3910 -13.3910 -13.0934 -13.0934 -12.9358 -12.9358 -12.7644 -12.7644 -12.7282 -12.7282 -12.6890 -12.6890 -8.4351 -8.4351 -3.5608 -3.5608 2.5596 2.5596 4.7748 4.7748 5.1177 5.1177 6.5644 6.5644 7.1080 7.1080 7.1448 7.1448 9.9335 9.9335 11.4283 11.4283 11.6297 11.6297 11.6771 11.6771 k = 0.0400-0.0693-0.0419 ( 3291 PWs) bands (ev): -31.9494 -31.9494 -31.8767 -31.8767 -13.3904 -13.3904 -13.0947 -13.0947 -12.9362 -12.9362 -12.7663 -12.7663 -12.7277 -12.7277 -12.6901 -12.6901 -8.4322 -8.4322 -3.5591 -3.5591 2.5646 2.5646 4.7597 4.7597 5.1038 5.1038 6.5660 6.5660 7.0898 7.0898 7.1422 7.1422 9.9662 9.9662 11.4490 11.4490 11.6081 11.6081 11.6895 11.6895 k = 0.0500-0.0866-0.0524 ( 3289 PWs) bands (ev): -31.9491 -31.9491 -31.8767 -31.8767 -13.3896 -13.3896 -13.0963 -13.0963 -12.9366 -12.9366 -12.7686 -12.7686 -12.7272 -12.7272 -12.6915 -12.6915 -8.4284 -8.4284 -3.5569 -3.5569 2.5710 2.5710 4.7397 4.7397 5.0870 5.0870 6.5680 6.5680 7.0661 7.0661 7.1403 7.1403 10.0069 10.0069 11.4697 11.4697 11.5865 11.5865 11.7055 11.7055 k = 0.0600-0.1039-0.0629 ( 3289 PWs) bands (ev): -31.9487 -31.9487 -31.8766 -31.8766 -13.3886 -13.3886 -13.0982 -13.0982 -12.9370 -12.9370 -12.7712 -12.7712 -12.7268 -12.7268 -12.6930 -12.6930 -8.4239 -8.4239 -3.5542 -3.5542 2.5787 2.5787 4.7144 4.7144 5.0680 5.0680 6.5704 6.5704 7.0380 7.0380 7.1388 7.1388 10.0544 10.0544 11.4760 11.4760 11.5795 11.5795 11.7248 11.7248 k = 0.0700-0.1212-0.0734 ( 3289 PWs) bands (ev): -31.9482 -31.9482 -31.8766 -31.8766 -13.3875 -13.3875 -13.1005 -13.1005 -12.9376 -12.9376 -12.7742 -12.7742 -12.7266 -12.7266 -12.6948 -12.6948 -8.4186 -8.4186 -3.5511 -3.5511 2.5877 2.5877 4.6833 4.6833 5.0474 5.0474 6.5731 6.5731 7.0068 7.0068 7.1375 7.1375 10.1080 10.1080 11.4537 11.4537 11.6014 11.6014 11.7474 11.7474 k = 0.0800-0.1386-0.0838 ( 3290 PWs) bands (ev): -31.9477 -31.9477 -31.8765 -31.8765 -13.3863 -13.3863 -13.1031 -13.1031 -12.9383 -12.9383 -12.7774 -12.7774 -12.7266 -12.7266 -12.6967 -12.6967 -8.4125 -8.4125 -3.5475 -3.5475 2.5979 2.5979 4.6462 4.6462 5.0259 5.0259 6.5763 6.5763 6.9731 6.9731 7.1362 7.1362 10.1664 10.1664 11.4138 11.4138 11.6415 11.6415 11.7732 11.7732 k = 0.0900-0.1559-0.0943 ( 3290 PWs) bands (ev): -31.9471 -31.9471 -31.8764 -31.8764 -13.3849 -13.3849 -13.1061 -13.1061 -12.9390 -12.9390 -12.7809 -12.7809 -12.7268 -12.7268 -12.6986 -12.6986 -8.4056 -8.4056 -3.5435 -3.5435 2.6093 2.6093 4.6030 4.6030 5.0041 5.0041 6.5797 6.5797 6.9379 6.9379 7.1350 7.1350 10.2289 10.2289 11.3660 11.3660 11.6896 11.6896 11.8020 11.8020 k = 0.1000-0.1732-0.1048 ( 3290 PWs) bands (ev): -31.9464 -31.9464 -31.8764 -31.8764 -13.3834 -13.3834 -13.1094 -13.1094 -12.9398 -12.9398 -12.7846 -12.7846 -12.7274 -12.7274 -12.7005 -12.7005 -8.3981 -8.3981 -3.5390 -3.5390 2.6218 2.6218 4.5537 4.5537 4.9823 4.9823 6.5833 6.5833 6.9018 6.9018 7.1338 7.1338 10.2944 10.2944 11.3141 11.3141 11.7416 11.7416 11.8336 11.8336 k = 0.1100-0.1905-0.1153 ( 3296 PWs) bands (ev): -31.9457 -31.9457 -31.8763 -31.8763 -13.3818 -13.3818 -13.1130 -13.1130 -12.9407 -12.9407 -12.7885 -12.7885 -12.7285 -12.7285 -12.7023 -12.7023 -8.3899 -8.3899 -3.5341 -3.5341 2.6354 2.6354 4.4988 4.4988 4.9608 4.9608 6.5872 6.5872 6.8654 6.8654 7.1326 7.1326 10.3621 10.3621 11.2598 11.2598 11.7946 11.7946 11.8680 11.8680 k = 0.1200-0.2079-0.1257 ( 3293 PWs) bands (ev): -31.9448 -31.9448 -31.8762 -31.8762 -13.3801 -13.3801 -13.1169 -13.1169 -12.9416 -12.9416 -12.7925 -12.7925 -12.7300 -12.7300 -12.7039 -12.7039 -8.3810 -8.3810 -3.5289 -3.5289 2.6498 2.6498 4.4385 4.4385 4.9396 4.9396 6.5911 6.5911 6.8294 6.8294 7.1315 7.1315 10.4312 10.4312 11.2042 11.2042 11.8457 11.8457 11.9050 11.9050 k = 0.1300-0.2252-0.1362 ( 3291 PWs) bands (ev): -31.9440 -31.9440 -31.8761 -31.8761 -13.3782 -13.3782 -13.1211 -13.1211 -12.9425 -12.9425 -12.7966 -12.7966 -12.7321 -12.7321 -12.7052 -12.7052 -8.3715 -8.3715 -3.5232 -3.5232 2.6651 2.6651 4.3736 4.3736 4.9186 4.9186 6.5949 6.5949 6.7942 6.7942 7.1305 7.1305 10.5011 10.5011 11.1481 11.1481 11.8921 11.8921 11.9441 11.9441 k = 0.1400-0.2425-0.1467 ( 3289 PWs) bands (ev): -31.9431 -31.9431 -31.8761 -31.8761 -13.3763 -13.3763 -13.1256 -13.1256 -12.9435 -12.9435 -12.8009 -12.8009 -12.7346 -12.7346 -12.7064 -12.7064 -8.3615 -8.3615 -3.5172 -3.5172 2.6812 2.6812 4.3046 4.3046 4.8980 4.8980 6.5982 6.5982 6.7605 6.7605 7.1295 7.1295 10.5711 10.5711 11.0922 11.0922 11.9309 11.9309 11.9850 11.9850 k = 0.1500-0.2598-0.1572 ( 3286 PWs) bands (ev): -31.9421 -31.9421 -31.8760 -31.8760 -13.3744 -13.3744 -13.1304 -13.1304 -12.9446 -12.9446 -12.8053 -12.8053 -12.7375 -12.7375 -12.7074 -12.7074 -8.3509 -8.3509 -3.5109 -3.5109 2.6979 2.6979 4.2320 4.2320 4.8775 4.8775 6.6003 6.6003 6.7292 6.7292 7.1286 7.1286 10.6406 10.6406 11.0369 11.0369 11.9598 11.9598 12.0275 12.0275 k = 0.1600-0.2771-0.1677 ( 3290 PWs) bands (ev): -31.9410 -31.9410 -31.8759 -31.8759 -13.3724 -13.3724 -13.1355 -13.1355 -12.9456 -12.9456 -12.8098 -12.8098 -12.7408 -12.7408 -12.7082 -12.7082 -8.3398 -8.3398 -3.5043 -3.5043 2.7152 2.7152 4.1566 4.1566 4.8571 4.8571 6.5998 6.5998 6.7019 6.7019 7.1278 7.1278 10.7090 10.7090 10.9829 10.9829 11.9779 11.9779 12.0714 12.0714 k = 0.1700-0.2945-0.1781 ( 3296 PWs) bands (ev): -31.9400 -31.9400 -31.8758 -31.8758 -13.3704 -13.3704 -13.1408 -13.1408 -12.9467 -12.9467 -12.8143 -12.8143 -12.7444 -12.7444 -12.7090 -12.7090 -8.3282 -8.3282 -3.4974 -3.4974 2.7329 2.7329 4.0790 4.0790 4.8368 4.8368 6.5937 6.5937 6.6814 6.6814 7.1270 7.1270 10.7750 10.7750 10.9313 10.9313 11.9862 11.9862 12.1162 12.1162 k = 0.1800-0.3118-0.1886 ( 3301 PWs) bands (ev): -31.9388 -31.9388 -31.8758 -31.8758 -13.3683 -13.3683 -13.1463 -13.1463 -12.9478 -12.9478 -12.8189 -12.8189 -12.7481 -12.7481 -12.7097 -12.7097 -8.3162 -8.3162 -3.4902 -3.4902 2.7510 2.7510 3.9997 3.9997 4.8165 4.8165 6.5797 6.5797 6.6705 6.6705 7.1264 7.1264 10.8315 10.8315 10.8890 10.8890 11.9865 11.9865 12.1618 12.1618 k = 0.1900-0.3291-0.1991 ( 3301 PWs) bands (ev): -31.9377 -31.9377 -31.8757 -31.8757 -13.3663 -13.3663 -13.1521 -13.1521 -12.9489 -12.9489 -12.8236 -12.8236 -12.7520 -12.7520 -12.7103 -12.7103 -8.3039 -8.3039 -3.4829 -3.4829 2.7693 2.7693 3.9193 3.9193 4.7962 4.7962 6.5585 6.5585 6.6681 6.6681 7.1259 7.1259 10.8191 10.8191 10.9153 10.9153 11.9809 11.9809 12.2075 12.2075 k = 0.2000-0.3464-0.2096 ( 3304 PWs) bands (ev): -31.9365 -31.9365 -31.8757 -31.8757 -13.3643 -13.3643 -13.1580 -13.1580 -12.9499 -12.9499 -12.8282 -12.8282 -12.7561 -12.7561 -12.7110 -12.7110 -8.2912 -8.2912 -3.4753 -3.4753 2.7876 2.7876 3.8382 3.8382 4.7760 4.7760 6.5336 6.5336 6.6708 6.6708 7.1255 7.1255 10.7745 10.7745 10.9732 10.9732 11.9711 11.9711 12.2530 12.2530 k = 0.2100-0.3637-0.2201 ( 3303 PWs) bands (ev): -31.9352 -31.9352 -31.8756 -31.8756 -13.3623 -13.3623 -13.1642 -13.1642 -12.9509 -12.9509 -12.8329 -12.8329 -12.7601 -12.7601 -12.7116 -12.7116 -8.2783 -8.2783 -3.4676 -3.4676 2.8059 2.8059 3.7572 3.7572 4.7558 4.7558 6.5071 6.5071 6.6766 6.6766 7.1252 7.1252 10.7296 10.7296 11.0309 11.0309 11.9586 11.9586 12.2975 12.2975 k = 0.2200-0.3811-0.2305 ( 3303 PWs) bands (ev): -31.9339 -31.9339 -31.8756 -31.8756 -13.3603 -13.3603 -13.1705 -13.1705 -12.9519 -12.9519 -12.8375 -12.8375 -12.7642 -12.7642 -12.7123 -12.7123 -8.2651 -8.2651 -3.4597 -3.4597 2.8239 2.8239 3.6766 3.6766 4.7357 4.7357 6.4800 6.4800 6.6841 6.6841 7.1250 7.1250 10.6863 10.6863 11.0859 11.0859 11.9446 11.9446 12.3407 12.3408 k = 0.2300-0.3984-0.2410 ( 3312 PWs) bands (ev): -31.9326 -31.9326 -31.8756 -31.8756 -13.3585 -13.3585 -13.1769 -13.1769 -12.9528 -12.9528 -12.8421 -12.8421 -12.7683 -12.7683 -12.7130 -12.7130 -8.2518 -8.2518 -3.4518 -3.4518 2.8413 2.8413 3.5970 3.5970 4.7158 4.7158 6.4527 6.4527 6.6929 6.6929 7.1249 7.1249 10.6449 10.6449 11.1376 11.1376 11.9299 11.9299 12.3816 12.3821 k = 0.2400-0.4157-0.2515 ( 3313 PWs) bands (ev): -31.9313 -31.9313 -31.8756 -31.8756 -13.3566 -13.3566 -13.1835 -13.1835 -12.9536 -12.9536 -12.8466 -12.8466 -12.7723 -12.7723 -12.7138 -12.7138 -8.2383 -8.2383 -3.4438 -3.4438 2.8578 2.8578 3.5192 3.5192 4.6959 4.6959 6.4254 6.4254 6.7028 6.7028 7.1248 7.1248 10.6058 10.6058 11.1855 11.1855 11.9152 11.9152 12.3719 12.3719 k = 0.2500-0.4330-0.2620 ( 3312 PWs) bands (ev): -31.9299 -31.9299 -31.8756 -31.8756 -13.3549 -13.3549 -13.1901 -13.1901 -12.9543 -12.9543 -12.8511 -12.8511 -12.7763 -12.7763 -12.7146 -12.7146 -8.2247 -8.2247 -3.4359 -3.4359 2.8729 2.8729 3.4439 3.4439 4.6763 4.6763 6.3982 6.3982 6.7136 6.7136 7.1248 7.1248 10.5688 10.5688 11.2294 11.2294 11.9010 11.9010 12.3439 12.3439 k = 0.2600-0.4503-0.2725 ( 3311 PWs) bands (ev): -31.9286 -31.9286 -31.8756 -31.8756 -13.3532 -13.3532 -13.1968 -13.1968 -12.9550 -12.9550 -12.8555 -12.8555 -12.7802 -12.7802 -12.7154 -12.7154 -8.2111 -8.2111 -3.4279 -3.4279 2.8857 2.8857 3.3721 3.3721 4.6569 4.6569 6.3709 6.3709 6.7252 6.7252 7.1249 7.1249 10.5341 10.5341 11.2689 11.2689 11.8879 11.8879 12.3159 12.3159 k = 0.2700-0.4677-0.2829 ( 3311 PWs) bands (ev): -31.9272 -31.9272 -31.8757 -31.8757 -13.3516 -13.3516 -13.2035 -13.2035 -12.9555 -12.9555 -12.8598 -12.8598 -12.7841 -12.7841 -12.7163 -12.7163 -8.1976 -8.1976 -3.4200 -3.4200 2.8949 2.8949 3.3055 3.3055 4.6379 4.6379 6.3436 6.3436 6.7375 6.7375 7.1250 7.1250 10.5016 10.5016 11.3038 11.3038 11.8760 11.8760 12.2881 12.2881 k = 0.2800-0.4850-0.2934 ( 3319 PWs) bands (ev): -31.9258 -31.9258 -31.8758 -31.8758 -13.3502 -13.3502 -13.2103 -13.2103 -12.9560 -12.9560 -12.8640 -12.8640 -12.7878 -12.7878 -12.7172 -12.7172 -8.1841 -8.1841 -3.4121 -3.4121 2.8982 2.8982 3.2465 3.2465 4.6192 4.6192 6.3162 6.3162 6.7505 6.7505 7.1251 7.1251 10.4713 10.4713 11.3338 11.3338 11.8656 11.8656 12.2608 12.2608 k = 0.2900-0.5023-0.3039 ( 3316 PWs) bands (ev): -31.9244 -31.9244 -31.8759 -31.8759 -13.3488 -13.3488 -13.2170 -13.2170 -12.9564 -12.9564 -12.8680 -12.8680 -12.7915 -12.7915 -12.7181 -12.7181 -8.1707 -8.1707 -3.4044 -3.4044 2.8924 2.8924 3.1984 3.1984 4.6009 4.6009 6.2888 6.2888 6.7641 6.7641 7.1253 7.1253 10.4430 10.4430 11.3590 11.3590 11.8572 11.8572 12.2346 12.2346 k = 0.3000-0.5196-0.3144 ( 3318 PWs) bands (ev): -31.9230 -31.9230 -31.8760 -31.8760 -13.3475 -13.3475 -13.2237 -13.2237 -12.9567 -12.9567 -12.8720 -12.8720 -12.7950 -12.7950 -12.7190 -12.7190 -8.1576 -8.1576 -3.3968 -3.3968 2.8744 2.8744 3.1647 3.1647 4.5831 4.5831 6.2611 6.2611 6.7782 6.7782 7.1255 7.1255 10.4168 10.4168 11.3793 11.3793 11.8509 11.8509 12.2095 12.2095 k = 0.3100-0.5369-0.3249 ( 3316 PWs) bands (ev): -31.9216 -31.9216 -31.8761 -31.8761 -13.3464 -13.3464 -13.2303 -13.2303 -12.9568 -12.9568 -12.8757 -12.8757 -12.7984 -12.7984 -12.7200 -12.7200 -8.1446 -8.1446 -3.3895 -3.3895 2.8432 2.8432 3.1464 3.1464 4.5659 4.5659 6.2334 6.2334 6.7927 6.7927 7.1257 7.1257 10.3925 10.3925 11.3947 11.3947 11.8468 11.8468 12.1858 12.1858 k = 0.3200-0.5543-0.3353 ( 3316 PWs) bands (ev): -31.9202 -31.9202 -31.8763 -31.8763 -13.3453 -13.3453 -13.2369 -13.2369 -12.9569 -12.9569 -12.8793 -12.8793 -12.8018 -12.8018 -12.7210 -12.7210 -8.1320 -8.1320 -3.3823 -3.3823 2.8016 2.8016 3.1408 3.1408 4.5492 4.5492 6.2057 6.2057 6.8074 6.8074 7.1259 7.1259 10.3700 10.3700 11.4055 11.4055 11.8450 11.8450 12.1638 12.1638 k = 0.3300-0.5716-0.3458 ( 3317 PWs) bands (ev): -31.9188 -31.9188 -31.8765 -31.8765 -13.3443 -13.3443 -13.2433 -13.2433 -12.9568 -12.9568 -12.8827 -12.8827 -12.8050 -12.8050 -12.7219 -12.7219 -8.1196 -8.1196 -3.3754 -3.3754 2.7539 2.7539 3.1437 3.1437 4.5332 4.5332 6.1780 6.1780 6.8223 6.8223 7.1261 7.1261 10.3493 10.3493 11.4120 11.4120 11.8455 11.8455 12.1438 12.1438 k = 0.3400-0.5889-0.3563 ( 3313 PWs) bands (ev): -31.9174 -31.9174 -31.8767 -31.8767 -13.3433 -13.3433 -13.2495 -13.2495 -12.9567 -12.9567 -12.8859 -12.8859 -12.8080 -12.8080 -12.7229 -12.7229 -8.1077 -8.1077 -3.3687 -3.3687 2.7035 2.7035 3.1519 3.1519 4.5178 4.5178 6.1504 6.1504 6.8372 6.8372 7.1262 7.1262 10.3304 10.3304 11.4147 11.4147 11.8483 11.8483 12.1260 12.1260 k = 0.3500-0.6062-0.3668 ( 3311 PWs) bands (ev): -31.9161 -31.9161 -31.8769 -31.8769 -13.3425 -13.3425 -13.2556 -13.2556 -12.9565 -12.9565 -12.8889 -12.8889 -12.8110 -12.8110 -12.7238 -12.7238 -8.0962 -8.0962 -3.3624 -3.3624 2.6528 2.6528 3.1631 3.1631 4.5032 4.5032 6.1231 6.1231 6.8519 6.8519 7.1264 7.1264 10.3130 10.3130 11.4140 11.4140 11.8530 11.8530 12.1107 12.1107 k = 0.3600-0.6236-0.3772 ( 3313 PWs) bands (ev): -31.9148 -31.9148 -31.8771 -31.8771 -13.3416 -13.3416 -13.2616 -13.2616 -12.9562 -12.9562 -12.8917 -12.8917 -12.8138 -12.8138 -12.7247 -12.7247 -8.0852 -8.0852 -3.3564 -3.3564 2.6031 2.6031 3.1759 3.1759 4.4893 4.4893 6.0961 6.0961 6.8665 6.8665 7.1265 7.1265 10.2971 10.2971 11.4104 11.4104 11.8594 11.8594 12.0980 12.0980 k = 0.3700-0.6409-0.3877 ( 3313 PWs) bands (ev): -31.9135 -31.9135 -31.8774 -31.8774 -13.3409 -13.3409 -13.2673 -13.2673 -12.9559 -12.9559 -12.8943 -12.8943 -12.8164 -12.8164 -12.7257 -12.7257 -8.0747 -8.0747 -3.3507 -3.3507 2.5553 2.5553 3.1896 3.1896 4.4763 4.4763 6.0698 6.0698 6.8806 6.8806 7.1266 7.1266 10.2827 10.2827 11.4047 11.4047 11.8670 11.8670 12.0883 12.0883 k = 0.3800-0.6582-0.3982 ( 3313 PWs) bands (ev): -31.9123 -31.9123 -31.8777 -31.8777 -13.3401 -13.3401 -13.2728 -13.2728 -12.9556 -12.9556 -12.8966 -12.8966 -12.8189 -12.8189 -12.7265 -12.7265 -8.0648 -8.0648 -3.3454 -3.3454 2.5098 2.5098 3.2035 3.2035 4.4641 4.4641 6.0442 6.0442 6.8942 6.8942 7.1268 7.1268 10.2696 10.2696 11.3973 11.3973 11.8754 11.8754 12.0815 12.0815 k = 0.3900-0.6755-0.4087 ( 3318 PWs) bands (ev): -31.9111 -31.9111 -31.8780 -31.8780 -13.3394 -13.3394 -13.2780 -13.2780 -12.9552 -12.9552 -12.8988 -12.8988 -12.8213 -12.8213 -12.7274 -12.7274 -8.0555 -8.0555 -3.3404 -3.3404 2.4672 2.4672 3.2174 3.2174 4.4528 4.4528 6.0196 6.0196 6.9072 6.9072 7.1268 7.1268 10.2578 10.2578 11.3887 11.3887 11.8842 11.8842 12.0777 12.0777 k = 0.4000-0.6928-0.4192 ( 3318 PWs) bands (ev): -31.9100 -31.9100 -31.8783 -31.8783 -13.3387 -13.3387 -13.2830 -13.2830 -12.9548 -12.9548 -12.9006 -12.9006 -12.8235 -12.8235 -12.7282 -12.7282 -8.0469 -8.0469 -3.3358 -3.3358 2.4277 2.4277 3.2309 3.2309 4.4424 4.4424 5.9961 5.9961 6.9194 6.9194 7.1269 7.1269 10.2472 10.2472 11.3795 11.3795 11.8929 11.8929 12.0769 12.0769 k = 0.4100-0.7102-0.4296 ( 3307 PWs) bands (ev): -31.9089 -31.9089 -31.8786 -31.8786 -13.3379 -13.3379 -13.2876 -13.2876 -12.9545 -12.9545 -12.9023 -12.9023 -12.8255 -12.8255 -12.7289 -12.7289 -8.0389 -8.0389 -3.3317 -3.3317 2.3916 2.3916 3.2438 3.2438 4.4329 4.4329 5.9740 5.9740 6.9307 6.9307 7.1269 7.1269 10.2378 10.2378 11.3700 11.3700 11.9013 11.9013 12.0788 12.0788 k = 0.4200-0.7275-0.4401 ( 3309 PWs) bands (ev): -31.9080 -31.9080 -31.8789 -31.8789 -13.3371 -13.3371 -13.2920 -13.2920 -12.9541 -12.9541 -12.9037 -12.9037 -12.8274 -12.8274 -12.7296 -12.7296 -8.0317 -8.0317 -3.3279 -3.3279 2.3589 2.3589 3.2558 3.2558 4.4244 4.4244 5.9536 5.9536 6.9411 6.9411 7.1270 7.1270 10.2295 10.2295 11.3606 11.3606 11.9090 11.9090 12.0830 12.0830 k = 0.4300-0.7448-0.4506 ( 3313 PWs) bands (ev): -31.9071 -31.9071 -31.8792 -31.8792 -13.3364 -13.3364 -13.2961 -13.2961 -12.9539 -12.9539 -12.9049 -12.9049 -12.8291 -12.8291 -12.7302 -12.7302 -8.0253 -8.0253 -3.3246 -3.3246 2.3297 2.3297 3.2669 3.2669 4.4169 4.4169 5.9349 5.9349 6.9505 6.9505 7.1270 7.1270 10.2223 10.2223 11.3516 11.3516 11.9161 11.9161 12.0890 12.0890 k = 0.4400-0.7621-0.4611 ( 3312 PWs) bands (ev): -31.9062 -31.9062 -31.8794 -31.8794 -13.3356 -13.3356 -13.2997 -13.2997 -12.9536 -12.9536 -12.9060 -12.9060 -12.8305 -12.8305 -12.7307 -12.7307 -8.0196 -8.0196 -3.3217 -3.3217 2.3043 2.3043 3.2768 3.2768 4.4103 4.4103 5.9182 5.9182 6.9587 6.9587 7.1270 7.1270 10.2161 10.2161 11.3433 11.3433 11.9222 11.9222 12.0960 12.0960 k = 0.4500-0.7794-0.4716 ( 3314 PWs) bands (ev): -31.9055 -31.9055 -31.8797 -31.8797 -13.3347 -13.3347 -13.3031 -13.3031 -12.9534 -12.9534 -12.9068 -12.9068 -12.8318 -12.8318 -12.7312 -12.7312 -8.0148 -8.0148 -3.3193 -3.3193 2.2827 2.2827 3.2855 3.2855 4.4047 4.4047 5.9038 5.9038 6.9658 6.9658 7.1270 7.1270 10.2109 10.2109 11.3359 11.3359 11.9276 11.9276 12.1035 12.1035 k = 0.4600-0.7968-0.4820 ( 3306 PWs) bands (ev): -31.9049 -31.9049 -31.8799 -31.8799 -13.3339 -13.3339 -13.3059 -13.3059 -12.9531 -12.9531 -12.9074 -12.9074 -12.8328 -12.8328 -12.7316 -12.7316 -8.0108 -8.0108 -3.3173 -3.3173 2.2649 2.2649 3.2927 3.2927 4.4002 4.4002 5.8917 5.8917 6.9717 6.9717 7.1270 7.1270 10.2067 10.2067 11.3296 11.3296 11.9320 11.9320 12.1107 12.1107 k = 0.4700-0.8141-0.4925 ( 3300 PWs) bands (ev): -31.9045 -31.9045 -31.8801 -31.8801 -13.3331 -13.3331 -13.3083 -13.3083 -12.9530 -12.9530 -12.9079 -12.9079 -12.8336 -12.8336 -12.7319 -12.7319 -8.0077 -8.0077 -3.3157 -3.3157 2.2511 2.2511 3.2984 3.2984 4.3966 4.3966 5.8821 5.8821 6.9763 6.9763 7.1270 7.1270 10.2035 10.2035 11.3245 11.3245 11.9355 11.9356 12.1169 12.1169 k = 0.4800-0.8314-0.5030 ( 3296 PWs) bands (ev): -31.9041 -31.9041 -31.8802 -31.8802 -13.3324 -13.3324 -13.3101 -13.3101 -12.9529 -12.9529 -12.9083 -12.9083 -12.8342 -12.8342 -12.7321 -12.7321 -8.0055 -8.0055 -3.3146 -3.3146 2.2411 2.2411 3.3026 3.3026 4.3941 4.3941 5.8752 5.8752 6.9796 6.9796 7.1270 7.1270 10.2013 10.2013 11.3208 11.3208 11.9381 11.9381 12.1218 12.1218 k = 0.4900-0.8487-0.5135 ( 3296 PWs) bands (ev): -31.9039 -31.9039 -31.8803 -31.8803 -13.3319 -13.3319 -13.3113 -13.3113 -12.9528 -12.9528 -12.9085 -12.9085 -12.8345 -12.8345 -12.7322 -12.7322 -8.0041 -8.0041 -3.3139 -3.3139 2.2352 2.2352 3.3051 3.3051 4.3925 4.3925 5.8710 5.8710 6.9816 6.9816 7.1270 7.1270 10.1999 10.1999 11.3186 11.3186 11.9397 11.9397 12.1249 12.1249 k = 0.5000-0.8660-0.5240 ( 3294 PWs) bands (ev): -31.9038 -31.9038 -31.8804 -31.8804 -13.3317 -13.3317 -13.3117 -13.3117 -12.9528 -12.9528 -12.9085 -12.9085 -12.8347 -12.8347 -12.7323 -12.7323 -8.0037 -8.0037 -3.3137 -3.3137 2.2332 2.2332 3.3059 3.3059 4.3920 4.3920 5.8696 5.8696 6.9822 6.9822 7.1270 7.1270 10.1994 10.1994 11.3178 11.3178 11.9402 11.9402 12.1260 12.1260 k = 0.5000-0.8660-0.5240 ( 3294 PWs) bands (ev): -31.9038 -31.9038 -31.8804 -31.8804 -13.3317 -13.3317 -13.3117 -13.3117 -12.9528 -12.9528 -12.9085 -12.9085 -12.8347 -12.8347 -12.7323 -12.7323 -8.0037 -8.0037 -3.3137 -3.3137 2.2332 2.2332 3.3059 3.3059 4.3920 4.3920 5.8696 5.8696 6.9822 6.9822 7.1270 7.1270 10.1994 10.1994 11.3178 11.3178 11.9402 11.9402 12.1260 12.1260 k = 0.5000-0.8542-0.5435 ( 3296 PWs) bands (ev): -31.9038 -31.9038 -31.8804 -31.8804 -13.3317 -13.3317 -13.3116 -13.3116 -12.9531 -12.9531 -12.9084 -12.9084 -12.8346 -12.8346 -12.7324 -12.7324 -8.0035 -8.0035 -3.3136 -3.3136 2.2340 2.2340 3.3060 3.3060 4.3885 4.3885 5.8708 5.8708 6.9826 6.9826 7.1259 7.1259 10.2013 10.2013 11.3211 11.3211 11.9427 11.9427 12.1227 12.1227 k = 0.5000-0.8424-0.5630 ( 3298 PWs) bands (ev): -31.9037 -31.9037 -31.8804 -31.8804 -13.3315 -13.3315 -13.3115 -13.3115 -12.9540 -12.9540 -12.9079 -12.9079 -12.8346 -12.8346 -12.7327 -12.7327 -8.0031 -8.0031 -3.3132 -3.3132 2.2365 2.2365 3.3063 3.3063 4.3778 4.3778 5.8743 5.8743 6.9837 6.9837 7.1228 7.1228 10.2069 10.2069 11.3308 11.3308 11.9502 11.9502 12.1131 12.1131 k = 0.5000-0.8306-0.5825 ( 3298 PWs) bands (ev): -31.9036 -31.9036 -31.8804 -31.8804 -13.3313 -13.3313 -13.3113 -13.3113 -12.9555 -12.9555 -12.9072 -12.9072 -12.8346 -12.8346 -12.7333 -12.7333 -8.0024 -8.0024 -3.3127 -3.3127 2.2407 2.2407 3.3069 3.3069 4.3602 4.3602 5.8801 5.8801 6.9855 6.9855 7.1177 7.1177 10.2163 10.2163 11.3464 11.3464 11.9630 11.9630 12.0974 12.0974 k = 0.5000-0.8188-0.6020 ( 3304 PWs) bands (ev): -31.9034 -31.9034 -31.8805 -31.8805 -13.3309 -13.3309 -13.3111 -13.3111 -12.9576 -12.9576 -12.9063 -12.9063 -12.8346 -12.8346 -12.7341 -12.7341 -8.0013 -8.0013 -3.3120 -3.3120 2.2466 2.2466 3.3076 3.3076 4.3359 4.3359 5.8882 5.8882 6.9880 6.9880 7.1105 7.1105 10.2293 10.2293 11.3671 11.3671 11.9814 11.9814 12.0764 12.0764 k = 0.5000-0.8070-0.6215 ( 3308 PWs) bands (ev): -31.9032 -31.9032 -31.8806 -31.8806 -13.3304 -13.3304 -13.3107 -13.3107 -12.9601 -12.9601 -12.9052 -12.9052 -12.8346 -12.8346 -12.7351 -12.7351 -8.0000 -8.0000 -3.3111 -3.3111 2.2541 2.2541 3.3085 3.3085 4.3054 4.3054 5.8986 5.8986 6.9911 6.9911 7.1013 7.1013 10.2461 10.2461 11.3919 11.3919 12.0054 12.0054 12.0513 12.0513 k = 0.5000-0.7952-0.6411 ( 3308 PWs) bands (ev): -31.9030 -31.9030 -31.8807 -31.8807 -13.3299 -13.3299 -13.3103 -13.3103 -12.9630 -12.9630 -12.9039 -12.9039 -12.8346 -12.8346 -12.7363 -12.7363 -7.9985 -7.9985 -3.3100 -3.3100 2.2633 2.2633 3.3095 3.3095 4.2690 4.2690 5.9111 5.9111 6.9947 6.9947 7.0901 7.0901 10.2664 10.2664 11.4194 11.4194 12.0162 12.0162 12.0425 12.0425 k = 0.5000-0.7834-0.6606 ( 3306 PWs) bands (ev): -31.9027 -31.9027 -31.8808 -31.8808 -13.3293 -13.3293 -13.3098 -13.3098 -12.9662 -12.9662 -12.9024 -12.9024 -12.8346 -12.8346 -12.7376 -12.7376 -7.9967 -7.9967 -3.3087 -3.3087 2.2741 2.2741 3.3108 3.3108 4.2273 4.2273 5.9256 5.9256 6.9988 6.9988 7.0770 7.0770 10.2903 10.2903 11.4479 11.4479 11.9861 11.9861 12.0791 12.0791 k = 0.5000-0.7716-0.6801 ( 3314 PWs) bands (ev): -31.9024 -31.9024 -31.8809 -31.8809 -13.3286 -13.3286 -13.3093 -13.3093 -12.9697 -12.9697 -12.9009 -12.9009 -12.8347 -12.8347 -12.7391 -12.7391 -7.9946 -7.9946 -3.3073 -3.3073 2.2865 2.2865 3.3121 3.3121 4.1809 4.1809 5.9422 5.9422 7.0032 7.0032 7.0621 7.0621 10.3175 10.3175 11.4757 11.4757 11.9522 11.9522 12.1259 12.1259 k = 0.5000-0.7598-0.6996 ( 3310 PWs) bands (ev): -31.9020 -31.9020 -31.8811 -31.8811 -13.3278 -13.3278 -13.3087 -13.3087 -12.9735 -12.9735 -12.8993 -12.8993 -12.8349 -12.8349 -12.7408 -12.7408 -7.9924 -7.9924 -3.3057 -3.3057 2.3006 2.3006 3.3136 3.3136 4.1303 4.1303 5.9607 5.9607 7.0077 7.0077 7.0455 7.0455 10.3482 10.3482 11.5011 11.5011 11.9179 11.9179 12.1811 12.1811 k = 0.5000-0.7480-0.7191 ( 3312 PWs) bands (ev): -31.9016 -31.9016 -31.8813 -31.8813 -13.3270 -13.3270 -13.3081 -13.3081 -12.9775 -12.9775 -12.8976 -12.8976 -12.8352 -12.8352 -12.7425 -12.7425 -7.9899 -7.9899 -3.3040 -3.3040 2.3162 2.3162 3.3151 3.3151 4.0762 4.0762 5.9810 5.9810 7.0117 7.0117 7.0280 7.0280 10.3819 10.3819 11.5218 11.5218 11.8853 11.8853 12.2441 12.2441 k = 0.5000-0.7362-0.7386 ( 3314 PWs) bands (ev): -31.9011 -31.9011 -31.8815 -31.8815 -13.3261 -13.3261 -13.3074 -13.3074 -12.9816 -12.9816 -12.8958 -12.8958 -12.8356 -12.8356 -12.7443 -12.7443 -7.9873 -7.9873 -3.3022 -3.3022 2.3335 2.3335 3.3165 3.3165 4.0192 4.0192 6.0030 6.0030 7.0042 7.0042 7.0205 7.0205 10.4188 10.4188 11.5355 11.5355 11.8568 11.8568 12.3135 12.3135 k = 0.5000-0.7244-0.7582 ( 3318 PWs) bands (ev): -31.9006 -31.9006 -31.8817 -31.8817 -13.3252 -13.3252 -13.3067 -13.3067 -12.9858 -12.9858 -12.8940 -12.8940 -12.8361 -12.8361 -12.7462 -12.7462 -7.9846 -7.9846 -3.3004 -3.3004 2.3522 2.3522 3.3178 3.3178 3.9601 3.9601 6.0265 6.0265 6.9835 6.9835 7.0247 7.0247 10.4585 10.4585 11.5396 11.5396 11.8354 11.8354 12.3368 12.3368 k = 0.5000-0.7125-0.7777 ( 3322 PWs) bands (ev): -31.9001 -31.9001 -31.8819 -31.8819 -13.3243 -13.3243 -13.3060 -13.3060 -12.9900 -12.9900 -12.8921 -12.8921 -12.8367 -12.8367 -12.7480 -12.7480 -7.9817 -7.9817 -3.2985 -3.2985 2.3725 2.3725 3.3188 3.3188 3.8993 3.8993 6.0515 6.0515 6.9605 6.9605 7.0300 7.0300 10.5009 10.5009 11.5324 11.5324 11.8232 11.8232 12.2722 12.2722 k = 0.5000-0.7007-0.7972 ( 3318 PWs) bands (ev): -31.8995 -31.8995 -31.8822 -31.8822 -13.3234 -13.3234 -13.3053 -13.3053 -12.9943 -12.9943 -12.8901 -12.8901 -12.8375 -12.8375 -12.7499 -12.7499 -7.9788 -7.9788 -3.2965 -3.2965 2.3942 2.3942 3.3194 3.3194 3.8378 3.8378 6.0779 6.0779 6.9360 6.9360 7.0354 7.0354 10.5458 10.5458 11.5138 11.5138 11.8207 11.8207 12.2064 12.2064 k = 0.5000-0.6889-0.8167 ( 3320 PWs) bands (ev): -31.8989 -31.8989 -31.8825 -31.8825 -13.3225 -13.3225 -13.3047 -13.3047 -12.9985 -12.9985 -12.8882 -12.8882 -12.8384 -12.8384 -12.7516 -12.7516 -7.9758 -7.9758 -3.2945 -3.2945 2.4174 2.4174 3.3192 3.3192 3.7763 3.7763 6.1054 6.1054 6.9101 6.9101 7.0408 7.0408 10.5928 10.5928 11.4858 11.4858 11.8265 11.8265 12.1422 12.1422 k = 0.5000-0.6771-0.8362 ( 3314 PWs) bands (ev): -31.8983 -31.8983 -31.8828 -31.8828 -13.3216 -13.3216 -13.3040 -13.3040 -13.0026 -13.0026 -12.8862 -12.8862 -12.8393 -12.8393 -12.7534 -12.7534 -7.9729 -7.9729 -3.2926 -3.2926 2.4419 2.4419 3.3178 3.3178 3.7157 3.7157 6.1339 6.1339 6.8831 6.8831 7.0463 7.0463 10.6417 10.6417 11.4513 11.4513 11.8381 11.8381 12.0803 12.0803 k = 0.5000-0.6653-0.8557 ( 3316 PWs) bands (ev): -31.8977 -31.8977 -31.8832 -31.8832 -13.3207 -13.3207 -13.3035 -13.3035 -13.0066 -13.0066 -12.8842 -12.8842 -12.8405 -12.8405 -12.7550 -12.7550 -7.9699 -7.9699 -3.2907 -3.2907 2.4677 2.4677 3.3145 3.3145 3.6573 3.6573 6.1634 6.1634 6.8551 6.8551 7.0518 7.0518 10.6921 10.6921 11.4125 11.4125 11.8534 11.8534 12.0211 12.0211 k = 0.5000-0.6535-0.8753 ( 3324 PWs) bands (ev): -31.8970 -31.8970 -31.8836 -31.8836 -13.3199 -13.3199 -13.3030 -13.3030 -13.0104 -13.0104 -12.8823 -12.8823 -12.8417 -12.8417 -12.7566 -12.7566 -7.9670 -7.9670 -3.2888 -3.2888 2.4946 2.4946 3.3081 3.3081 3.6025 3.6025 6.1936 6.1936 6.8263 6.8263 7.0572 7.0572 10.7434 10.7434 11.3712 11.3712 11.8712 11.8712 11.9652 11.9652 k = 0.5000-0.6417-0.8948 ( 3330 PWs) bands (ev): -31.8963 -31.8963 -31.8840 -31.8840 -13.3192 -13.3192 -13.3025 -13.3025 -13.0140 -13.0140 -12.8803 -12.8803 -12.8429 -12.8429 -12.7580 -12.7580 -7.9642 -7.9642 -3.2870 -3.2870 2.5226 2.5226 3.2972 3.2972 3.5534 3.5534 6.2245 6.2245 6.7968 6.7968 7.0625 7.0625 10.7950 10.7950 11.3283 11.3283 11.8899 11.8899 11.9137 11.9137 k = 0.5000-0.6299-0.9143 ( 3328 PWs) bands (ev): -31.8956 -31.8956 -31.8844 -31.8844 -13.3184 -13.3184 -13.3022 -13.3022 -13.0173 -13.0173 -12.8785 -12.8785 -12.8442 -12.8442 -12.7593 -12.7593 -7.9616 -7.9616 -3.2853 -3.2853 2.5514 2.5514 3.2798 3.2798 3.5123 3.5123 6.2558 6.2558 6.7668 6.7668 7.0677 7.0677 10.8462 10.8462 11.2847 11.2847 11.8651 11.8651 11.9115 11.9115 k = 0.5000-0.6181-0.9338 ( 3330 PWs) bands (ev): -31.8949 -31.8949 -31.8849 -31.8849 -13.3178 -13.3178 -13.3020 -13.3020 -13.0203 -13.0203 -12.8767 -12.8767 -12.8455 -12.8455 -12.7604 -12.7604 -7.9591 -7.9591 -3.2838 -3.2838 2.5808 2.5808 3.2546 3.2546 3.4812 3.4812 6.2875 6.2875 6.7364 6.7364 7.0728 7.0728 10.8958 10.8958 11.2406 11.2406 11.8236 11.8236 11.9322 11.9322 k = 0.5000-0.6063-0.9533 ( 3332 PWs) bands (ev): -31.8942 -31.8942 -31.8854 -31.8854 -13.3171 -13.3171 -13.3019 -13.3019 -13.0230 -13.0230 -12.8750 -12.8750 -12.8467 -12.8467 -12.7614 -12.7614 -7.9568 -7.9568 -3.2824 -3.2824 2.6105 2.6105 3.2223 3.2223 3.4598 3.4598 6.3193 6.3193 6.7059 6.7059 7.0777 7.0777 10.9425 10.9425 11.1963 11.1963 11.7888 11.7888 11.9535 11.9535 k = 0.5000-0.5945-0.9728 ( 3332 PWs) bands (ev): -31.8934 -31.8934 -31.8860 -31.8860 -13.3166 -13.3166 -13.3019 -13.3019 -13.0254 -13.0254 -12.8736 -12.8736 -12.8477 -12.8477 -12.7622 -12.7622 -7.9548 -7.9548 -3.2811 -3.2811 2.6399 2.6399 3.1854 3.1854 3.4462 3.4462 6.3511 6.3511 6.6755 6.6755 7.0825 7.0825 10.9847 10.9847 11.1521 11.1521 11.7625 11.7625 11.9749 11.9749 k = 0.5000-0.5827-0.9924 ( 3328 PWs) bands (ev): -31.8927 -31.8927 -31.8866 -31.8866 -13.3161 -13.3161 -13.3020 -13.3020 -13.0274 -13.0274 -12.8724 -12.8724 -12.8486 -12.8486 -12.7628 -12.7628 -7.9531 -7.9531 -3.2801 -3.2801 2.6683 2.6683 3.1475 3.1475 3.4380 3.4380 6.3829 6.3829 6.6453 6.6453 7.0870 7.0870 11.0205 11.0205 11.1080 11.1080 11.7464 11.7464 11.9964 11.9964 k = 0.5000-0.5709-1.0119 ( 3330 PWs) bands (ev): -31.8919 -31.8919 -31.8872 -31.8872 -13.3157 -13.3157 -13.3023 -13.3023 -13.0290 -13.0290 -12.8715 -12.8715 -12.8491 -12.8491 -12.7632 -12.7632 -7.9516 -7.9516 -3.2792 -3.2792 2.6944 2.6944 3.1119 3.1119 3.4332 3.4332 6.4144 6.4144 6.6155 6.6155 7.0912 7.0912 11.0478 11.0478 11.0644 11.0644 11.7421 11.7421 12.0179 12.0179 k = 0.5000-0.5591-1.0314 ( 3332 PWs) bands (ev): -31.8911 -31.8911 -31.8878 -31.8878 -13.3153 -13.3153 -13.3026 -13.3026 -13.0302 -13.0302 -12.8710 -12.8710 -12.8493 -12.8493 -12.7635 -12.7635 -7.9506 -7.9506 -3.2785 -3.2785 2.7165 2.7165 3.0817 3.0817 3.4304 3.4304 6.4456 6.4456 6.5864 6.5864 7.0951 7.0951 11.0198 11.0198 11.0668 11.0668 11.7509 11.7509 12.0391 12.0391 k = 0.5000-0.5472-1.0509 ( 3330 PWs) bands (ev): -31.8904 -31.8904 -31.8885 -31.8885 -13.3151 -13.3151 -13.3030 -13.3030 -13.0310 -13.0310 -12.8709 -12.8709 -12.8490 -12.8490 -12.7636 -12.7636 -7.9500 -7.9500 -3.2781 -3.2781 2.7321 2.7321 3.0602 3.0602 3.4289 3.4289 6.4764 6.4764 6.5581 6.5581 7.0986 7.0986 10.9762 10.9762 11.0754 11.0754 11.7726 11.7726 12.0600 12.0600 k = 0.5000-0.5354-1.0704 ( 3334 PWs) bands (ev): -31.8896 -31.8896 -31.8893 -31.8893 -13.3150 -13.3150 -13.3033 -13.3033 -13.0314 -13.0314 -12.8712 -12.8712 -12.8484 -12.8484 -12.7636 -12.7636 -7.9497 -7.9497 -3.2780 -3.2780 2.7388 2.7388 3.0505 3.0505 3.4282 3.4282 6.5064 6.5064 6.5309 6.5309 7.1017 7.1017 10.9327 10.9327 11.0755 11.0755 11.8061 11.8061 12.0806 12.0806 k = 0.5000-0.5236-1.0899 ( 3332 PWs) bands (ev): -31.8900 -31.8900 -31.8888 -31.8888 -13.3151 -13.3151 -13.3037 -13.3037 -13.0313 -13.0313 -12.8718 -12.8718 -12.8474 -12.8474 -12.7634 -12.7634 -7.9500 -7.9500 -3.2781 -3.2781 2.7357 2.7357 3.0536 3.0536 3.4279 3.4279 6.5045 6.5045 6.5364 6.5364 7.1043 7.1043 10.8894 10.8894 11.0686 11.0686 11.8496 11.8496 12.1007 12.1007 k = 0.5000-0.5118-1.1094 ( 3338 PWs) bands (ev): -31.8908 -31.8908 -31.8881 -31.8881 -13.3154 -13.3154 -13.3039 -13.3039 -13.0310 -13.0310 -12.8727 -12.8727 -12.8462 -12.8462 -12.7630 -12.7630 -7.9507 -7.9507 -3.2784 -3.2784 2.7243 2.7243 3.0684 3.0684 3.4280 3.4280 6.4799 6.4799 6.5651 6.5651 7.1064 7.1064 10.8463 10.8463 11.0568 11.0568 11.9007 11.9007 12.1203 12.1203 k = 0.5000-0.5000-1.1290 ( 3330 PWs) bands (ev): -31.8917 -31.8917 -31.8873 -31.8873 -13.3159 -13.3159 -13.3038 -13.3038 -13.0302 -13.0302 -12.8736 -12.8736 -12.8447 -12.8447 -12.7624 -12.7624 -7.9520 -7.9520 -3.2791 -3.2791 2.7076 2.7076 3.0918 3.0918 3.4286 3.4286 6.4569 6.4569 6.5932 6.5932 7.1078 7.1078 10.8036 10.8036 11.0418 11.0418 11.9575 11.9575 12.1394 12.1394 k = 0.8170-0.4151-0.9669 ( 3330 PWs) bands (ev): -31.8917 -31.8917 -31.8873 -31.8873 -13.3159 -13.3159 -13.3038 -13.3038 -13.0302 -13.0302 -12.8736 -12.8736 -12.8447 -12.8447 -12.7624 -12.7624 -7.9520 -7.9520 -3.2791 -3.2791 2.7076 2.7076 3.0918 3.0918 3.4286 3.4286 6.4569 6.4569 6.5932 6.5932 7.1078 7.1078 10.8036 10.8036 11.0418 11.0418 11.9575 11.9575 12.1394 12.1394 k = 0.8111-0.4049-0.9475 ( 3328 PWs) bands (ev): -31.8926 -31.8926 -31.8866 -31.8866 -13.3166 -13.3166 -13.3036 -13.3036 -13.0291 -13.0291 -12.8747 -12.8747 -12.8430 -12.8430 -12.7617 -12.7617 -7.9537 -7.9537 -3.2800 -3.2800 2.6884 2.6884 3.1205 3.1205 3.4299 3.4299 6.4357 6.4357 6.6202 6.6202 7.1085 7.1085 10.7616 10.7616 11.0251 11.0251 12.0178 12.0178 12.1576 12.1576 k = 0.8052-0.3947-0.9280 ( 3326 PWs) bands (ev): -31.8935 -31.8935 -31.8859 -31.8859 -13.3176 -13.3176 -13.3032 -13.3032 -13.0276 -13.0276 -12.8758 -12.8758 -12.8413 -12.8413 -12.7609 -12.7609 -7.9561 -7.9561 -3.2813 -3.2813 2.6688 2.6688 3.1519 3.1519 3.4325 3.4325 6.4163 6.4163 6.6463 6.6463 7.1085 7.1085 10.7202 10.7202 11.0077 11.0077 12.0802 12.0802 12.1749 12.1749 k = 0.7994-0.3846-0.9086 ( 3330 PWs) bands (ev): -31.8944 -31.8944 -31.8852 -31.8852 -13.3187 -13.3187 -13.3025 -13.3025 -13.0259 -13.0259 -12.8770 -12.8770 -12.8394 -12.8394 -12.7599 -12.7599 -7.9590 -7.9590 -3.2828 -3.2828 2.6503 2.6503 3.1838 3.1838 3.4371 3.4371 6.3990 6.3990 6.6715 6.6715 7.1077 7.1077 10.6795 10.6795 10.9905 10.9905 12.1434 12.1434 12.1914 12.1914 k = 0.7935-0.3744-0.8892 ( 3322 PWs) bands (ev): -31.8954 -31.8954 -31.8845 -31.8845 -13.3200 -13.3200 -13.3015 -13.3015 -13.0239 -13.0239 -12.8781 -12.8781 -12.8374 -12.8374 -12.7588 -12.7588 -7.9625 -7.9625 -3.2847 -3.2847 2.6338 2.6338 3.2137 3.2137 3.4453 3.4453 6.3838 6.3838 6.6957 6.6957 7.1059 7.1059 10.6397 10.6397 10.9742 10.9742 12.2011 12.2011 12.2118 12.2118 k = 0.7876-0.3642-0.8698 ( 3326 PWs) bands (ev): -31.8965 -31.8965 -31.8839 -31.8839 -13.3213 -13.3213 -13.3004 -13.3004 -13.0217 -13.0217 -12.8792 -12.8792 -12.8354 -12.8354 -12.7576 -12.7576 -7.9666 -7.9666 -3.2869 -3.2869 2.6199 2.6199 3.2392 3.2392 3.4589 3.4589 6.3708 6.3708 6.7188 6.7188 7.1031 7.1031 10.6010 10.6010 10.9591 10.9591 12.2185 12.2185 12.2695 12.2695 k = 0.7818-0.3541-0.8504 ( 3320 PWs) bands (ev): -31.8976 -31.8976 -31.8832 -31.8832 -13.3227 -13.3227 -13.2990 -13.2990 -13.0192 -13.0192 -12.8803 -12.8803 -12.8333 -12.8333 -12.7563 -12.7563 -7.9713 -7.9713 -3.2894 -3.2894 2.6089 2.6089 3.2582 3.2582 3.4796 3.4796 6.3601 6.3601 6.7408 6.7408 7.0994 7.0994 10.5637 10.5637 10.9457 10.9457 12.2302 12.2302 12.3281 12.3281 k = 0.7759-0.3439-0.8310 ( 3322 PWs) bands (ev): -31.8987 -31.8987 -31.8826 -31.8826 -13.3241 -13.3241 -13.2973 -13.2973 -13.0165 -13.0165 -12.8813 -12.8813 -12.8311 -12.8311 -12.7549 -12.7549 -7.9766 -7.9766 -3.2922 -3.2922 2.6012 2.6012 3.2698 3.2698 3.5079 3.5079 6.3518 6.3518 6.7617 6.7617 7.0946 7.0946 10.5279 10.5279 10.9342 10.9342 12.2396 12.2396 12.3828 12.3828 k = 0.7700-0.3337-0.8116 ( 3314 PWs) bands (ev): -31.8998 -31.8998 -31.8820 -31.8820 -13.3255 -13.3255 -13.2955 -13.2955 -13.0136 -13.0136 -12.8822 -12.8822 -12.8288 -12.8288 -12.7535 -12.7535 -7.9825 -7.9825 -3.2954 -3.2954 2.5970 2.5970 3.2746 3.2746 3.5430 3.5430 6.3458 6.3458 6.7813 6.7813 7.0886 7.0886 10.4939 10.4939 10.9248 10.9248 12.2463 12.2463 12.4317 12.4317 k = 0.7642-0.3236-0.7922 ( 3314 PWs) bands (ev): -31.9010 -31.9010 -31.8814 -31.8814 -13.3268 -13.3268 -13.2934 -13.2934 -13.0106 -13.0106 -12.8830 -12.8830 -12.8264 -12.8264 -12.7520 -12.7520 -7.9891 -7.9891 -3.2990 -3.2990 2.5964 2.5964 3.2741 3.2741 3.5833 3.5833 6.3422 6.3422 6.7995 6.7995 7.0817 7.0817 10.4619 10.4619 10.9176 10.9176 12.2501 12.2501 12.4732 12.4732 k = 0.7583-0.3134-0.7728 ( 3308 PWs) bands (ev): -31.9022 -31.9022 -31.8809 -31.8809 -13.3281 -13.3281 -13.2910 -13.2910 -13.0075 -13.0075 -12.8838 -12.8838 -12.8240 -12.8240 -12.7504 -12.7504 -7.9962 -7.9962 -3.3029 -3.3029 2.5994 2.5994 3.2695 3.2695 3.6274 3.6274 6.3409 6.3409 6.8163 6.8163 7.0737 7.0737 10.4322 10.4322 10.9129 10.9129 12.2508 12.2508 12.5054 12.5054 k = 0.7524-0.3032-0.7534 ( 3302 PWs) bands (ev): -31.9035 -31.9035 -31.8804 -31.8804 -13.3294 -13.3294 -13.2884 -13.2884 -13.0043 -13.0043 -12.8844 -12.8844 -12.8215 -12.8215 -12.7488 -12.7488 -8.0039 -8.0039 -3.3071 -3.3071 2.6061 2.6061 3.2622 3.2622 3.6741 3.6741 6.3420 6.3420 6.8314 6.8314 7.0649 7.0649 10.4051 10.4051 10.9106 10.9106 12.2480 12.2480 12.5270 12.5270 k = 0.7465-0.2931-0.7340 ( 3302 PWs) bands (ev): -31.9048 -31.9048 -31.8799 -31.8799 -13.3306 -13.3306 -13.2856 -13.2856 -13.0010 -13.0010 -12.8849 -12.8849 -12.8189 -12.8189 -12.7472 -12.7472 -8.0122 -8.0122 -3.3117 -3.3117 2.6165 2.6165 3.2528 3.2528 3.7225 3.7225 6.3454 6.3454 6.8444 6.8444 7.0554 7.0554 10.3806 10.3806 10.9109 10.9109 12.2418 12.2418 12.5375 12.5375 k = 0.7407-0.2829-0.7146 ( 3308 PWs) bands (ev): -31.9061 -31.9061 -31.8794 -31.8794 -13.3317 -13.3317 -13.2825 -13.2825 -12.9977 -12.9977 -12.8853 -12.8853 -12.8162 -12.8162 -12.7455 -12.7455 -8.0211 -8.0211 -3.3166 -3.3166 2.6305 2.6305 3.2419 3.2419 3.7722 3.7722 6.3510 6.3510 6.8549 6.8549 7.0458 7.0458 10.3591 10.3591 10.9139 10.9139 12.2320 12.2320 12.5375 12.5375 k = 0.7348-0.2727-0.6952 ( 3310 PWs) bands (ev): -31.9074 -31.9074 -31.8790 -31.8790 -13.3328 -13.3328 -13.2792 -13.2792 -12.9943 -12.9943 -12.8855 -12.8855 -12.8135 -12.8135 -12.7439 -12.7439 -8.0305 -8.0305 -3.3219 -3.3219 2.6481 2.6481 3.2300 3.2300 3.8226 3.8226 6.3587 6.3587 6.8622 6.8622 7.0366 7.0366 10.3407 10.3407 10.9195 10.9195 12.2188 12.2188 12.5285 12.5285 k = 0.7289-0.2626-0.6758 ( 3308 PWs) bands (ev): -31.9088 -31.9088 -31.8786 -31.8786 -13.3338 -13.3338 -13.2755 -13.2755 -12.9910 -12.9910 -12.8856 -12.8856 -12.8107 -12.8107 -12.7423 -12.7423 -8.0404 -8.0404 -3.3276 -3.3276 2.6691 2.6691 3.2176 3.2176 3.8735 3.8735 6.3685 6.3685 6.8656 6.8656 7.0287 7.0287 10.3256 10.3256 10.9279 10.9279 12.2025 12.2025 12.5126 12.5126 k = 0.7231-0.2524-0.6564 ( 3304 PWs) bands (ev): -31.9102 -31.9102 -31.8782 -31.8782 -13.3347 -13.3347 -13.2717 -13.2717 -12.9876 -12.9876 -12.8854 -12.8854 -12.8078 -12.8078 -12.7406 -12.7406 -8.0508 -8.0508 -3.3336 -3.3336 2.6933 2.6933 3.2050 3.2050 3.9246 3.9246 6.3802 6.3802 6.8640 6.8640 7.0230 7.0230 10.3140 10.3140 10.9389 10.9389 12.1834 12.1834 12.4918 12.4918 k = 0.7172-0.2422-0.6370 ( 3296 PWs) bands (ev): -31.9116 -31.9116 -31.8779 -31.8779 -13.3355 -13.3355 -13.2676 -13.2676 -12.9842 -12.9842 -12.8851 -12.8851 -12.8049 -12.8049 -12.7390 -12.7390 -8.0616 -8.0616 -3.3399 -3.3399 2.7203 2.7203 3.1928 3.1928 3.9757 3.9757 6.3936 6.3936 6.8570 6.8570 7.0200 7.0200 10.3060 10.3060 10.9527 10.9527 12.1617 12.1617 12.4679 12.4679 k = 0.7113-0.2321-0.6176 ( 3294 PWs) bands (ev): -31.9130 -31.9130 -31.8776 -31.8776 -13.3363 -13.3363 -13.2632 -13.2632 -12.9809 -12.9809 -12.8846 -12.8846 -12.8019 -12.8019 -12.7374 -12.7374 -8.0729 -8.0729 -3.3466 -3.3466 2.7498 2.7498 3.1815 3.1815 4.0267 4.0267 6.4088 6.4088 6.8445 6.8445 7.0198 7.0198 10.3016 10.3016 10.9692 10.9692 12.1381 12.1381 12.4421 12.4421 k = 0.7055-0.2219-0.5981 ( 3294 PWs) bands (ev): -31.9144 -31.9144 -31.8773 -31.8773 -13.3370 -13.3370 -13.2587 -13.2587 -12.9777 -12.9777 -12.8838 -12.8838 -12.7989 -12.7989 -12.7359 -12.7359 -8.0845 -8.0845 -3.3536 -3.3536 2.7810 2.7810 3.1720 3.1720 4.0773 4.0773 6.4255 6.4255 6.8270 6.8270 7.0218 7.0218 10.3011 10.3011 10.9884 10.9884 12.1129 12.1129 12.4156 12.4156 k = 0.6996-0.2117-0.5787 ( 3296 PWs) bands (ev): -31.9159 -31.9159 -31.8770 -31.8770 -13.3377 -13.3377 -13.2539 -13.2539 -12.9745 -12.9745 -12.8828 -12.8828 -12.7958 -12.7958 -12.7344 -12.7344 -8.0965 -8.0965 -3.3610 -3.3610 2.8129 2.8129 3.1652 3.1652 4.1274 4.1274 6.4436 6.4436 6.8054 6.8054 7.0255 7.0255 10.3043 10.3043 11.0102 11.0102 12.0868 12.0868 12.3890 12.3890 k = 0.6937-0.2016-0.5593 ( 3296 PWs) bands (ev): -31.9173 -31.9173 -31.8768 -31.8768 -13.3383 -13.3383 -13.2489 -13.2489 -12.9714 -12.9714 -12.8815 -12.8815 -12.7926 -12.7926 -12.7329 -12.7329 -8.1088 -8.1088 -3.3687 -3.3687 2.8439 2.8439 3.1629 3.1629 4.1769 4.1769 6.4630 6.4630 6.7803 6.7803 7.0300 7.0300 10.3114 10.3114 11.0345 11.0345 12.0601 12.0601 12.3631 12.3631 k = 0.6878-0.1914-0.5399 ( 3296 PWs) bands (ev): -31.9188 -31.9188 -31.8766 -31.8766 -13.3390 -13.3390 -13.2438 -13.2438 -12.9684 -12.9684 -12.8800 -12.8800 -12.7895 -12.7895 -12.7315 -12.7315 -8.1214 -8.1214 -3.3766 -3.3766 2.8720 2.8720 3.1671 3.1671 4.2257 4.2257 6.4835 6.4835 6.7525 6.7525 7.0350 7.0350 10.3223 10.3223 11.0613 11.0613 12.0333 12.0333 12.3383 12.3383 k = 0.6820-0.1812-0.5205 ( 3300 PWs) bands (ev): -31.9202 -31.9202 -31.8765 -31.8765 -13.3395 -13.3395 -13.2384 -13.2384 -12.9656 -12.9656 -12.8782 -12.8782 -12.7863 -12.7863 -12.7301 -12.7301 -8.1341 -8.1341 -3.3849 -3.3849 2.8948 2.8948 3.1802 3.1802 4.2736 4.2736 6.5050 6.5050 6.7223 6.7223 7.0400 7.0400 10.3369 10.3369 11.0905 11.0905 12.0069 12.0069 12.3149 12.3149 k = 0.6761-0.1711-0.5011 ( 3300 PWs) bands (ev): -31.9217 -31.9217 -31.8763 -31.8763 -13.3401 -13.3401 -13.2330 -13.2330 -12.9628 -12.9628 -12.8762 -12.8762 -12.7831 -12.7831 -12.7288 -12.7288 -8.1471 -8.1471 -3.3934 -3.3934 2.9102 2.9102 3.2041 3.2041 4.3205 4.3205 6.5273 6.5273 6.6902 6.6902 7.0448 7.0448 10.3553 10.3553 11.1220 11.1220 11.9813 11.9813 12.2932 12.2932 k = 0.6702-0.1609-0.4817 ( 3304 PWs) bands (ev): -31.9232 -31.9232 -31.8762 -31.8762 -13.3407 -13.3407 -13.2274 -13.2274 -12.9602 -12.9602 -12.8738 -12.8738 -12.7798 -12.7798 -12.7275 -12.7275 -8.1602 -8.1602 -3.4022 -3.4022 2.9182 2.9182 3.2389 3.2389 4.3665 4.3665 6.5503 6.5503 6.6565 6.6565 7.0492 7.0492 10.3773 10.3773 11.1556 11.1556 11.9566 11.9566 12.2734 12.2734 k = 0.6644-0.1507-0.4623 ( 3300 PWs) bands (ev): -31.9246 -31.9246 -31.8761 -31.8761 -13.3413 -13.3413 -13.2217 -13.2217 -12.9577 -12.9577 -12.8712 -12.8712 -12.7766 -12.7766 -12.7263 -12.7263 -8.1734 -8.1734 -3.4112 -3.4112 2.9200 2.9200 3.2835 3.2835 4.4112 4.4112 6.5735 6.5735 6.6218 6.6218 7.0532 7.0532 10.4028 10.4028 11.1913 11.1913 11.9334 11.9334 12.2557 12.2557 k = 0.6585-0.1406-0.4429 ( 3304 PWs) bands (ev): -31.9261 -31.9261 -31.8760 -31.8760 -13.3419 -13.3419 -13.2160 -13.2160 -12.9553 -12.9553 -12.8683 -12.8683 -12.7733 -12.7733 -12.7251 -12.7251 -8.1866 -8.1866 -3.4204 -3.4204 2.9172 2.9172 3.3358 3.3358 4.4548 4.4548 6.5821 6.5821 6.6009 6.6009 7.0566 7.0566 10.4317 10.4317 11.2288 11.2288 11.9118 11.9118 12.2400 12.2400 k = 0.6526-0.1304-0.4235 ( 3306 PWs) bands (ev): -31.9275 -31.9275 -31.8760 -31.8760 -13.3425 -13.3425 -13.2102 -13.2102 -12.9531 -12.9531 -12.8652 -12.8652 -12.7701 -12.7701 -12.7240 -12.7240 -8.1998 -8.1998 -3.4298 -3.4298 2.9115 2.9115 3.3943 3.3943 4.4972 4.4972 6.5469 6.5469 6.6233 6.6233 7.0594 7.0594 10.4638 10.4638 11.2679 11.2679 11.8919 11.8919 12.2264 12.2264 k = 0.6468-0.1202-0.4041 ( 3302 PWs) bands (ev): -31.9289 -31.9289 -31.8760 -31.8760 -13.3431 -13.3431 -13.2043 -13.2043 -12.9509 -12.9509 -12.8618 -12.8618 -12.7669 -12.7669 -12.7229 -12.7229 -8.2129 -8.2129 -3.4393 -3.4393 2.9041 2.9041 3.4574 3.4574 4.5382 4.5382 6.5093 6.5093 6.6476 6.6476 7.0617 7.0617 10.4990 10.4990 11.3086 11.3086 11.8740 11.8740 12.2150 12.2150 k = 0.6409-0.1101-0.3847 ( 3300 PWs) bands (ev): -31.9303 -31.9303 -31.8759 -31.8759 -13.3438 -13.3438 -13.1985 -13.1985 -12.9489 -12.9489 -12.8582 -12.8582 -12.7637 -12.7637 -12.7218 -12.7218 -8.2260 -8.2260 -3.4490 -3.4490 2.8957 2.8957 3.5244 3.5244 4.5778 4.5778 6.4710 6.4710 6.6720 6.6720 7.0633 7.0633 10.5369 10.5369 11.3505 11.3505 11.8581 11.8581 12.2056 12.2056 k = 0.6350-0.0999-0.3653 ( 3294 PWs) bands (ev): -31.9317 -31.9317 -31.8759 -31.8759 -13.3444 -13.3444 -13.1926 -13.1926 -12.9470 -12.9470 -12.8544 -12.8544 -12.7606 -12.7606 -12.7208 -12.7208 -8.2389 -8.2389 -3.4587 -3.4587 2.8869 2.8869 3.5945 3.5945 4.6161 4.6161 6.4324 6.4324 6.6964 6.6964 7.0644 7.0644 10.5775 10.5775 11.3935 11.3935 11.8443 11.8443 12.1982 12.1982 k = 0.6291-0.0897-0.3459 ( 3298 PWs) bands (ev): -31.9330 -31.9330 -31.8760 -31.8760 -13.3451 -13.3451 -13.1869 -13.1869 -12.9452 -12.9452 -12.8504 -12.8504 -12.7576 -12.7576 -12.7197 -12.7197 -8.2516 -8.2516 -3.4685 -3.4685 2.8780 2.8780 3.6670 3.6670 4.6530 4.6530 6.3937 6.3937 6.7206 6.7206 7.0648 7.0648 10.6203 10.6203 11.4373 11.4373 11.8323 11.8323 12.1925 12.1925 k = 0.6233-0.0795-0.3265 ( 3304 PWs) bands (ev): -31.9343 -31.9343 -31.8760 -31.8760 -13.3459 -13.3459 -13.1812 -13.1812 -12.9435 -12.9435 -12.8463 -12.8463 -12.7547 -12.7547 -12.7187 -12.7187 -8.2641 -8.2641 -3.4782 -3.4782 2.8692 2.8692 3.7415 3.7415 4.6885 4.6885 6.3551 6.3551 6.7444 6.7444 7.0647 7.0647 10.6650 10.6650 11.4817 11.4817 11.8223 11.8223 12.1885 12.1885 k = 0.6174-0.0694-0.3071 ( 3302 PWs) bands (ev): -31.9356 -31.9356 -31.8761 -31.8761 -13.3466 -13.3466 -13.1756 -13.1756 -12.9420 -12.9420 -12.8421 -12.8421 -12.7520 -12.7520 -12.7176 -12.7176 -8.2764 -8.2764 -3.4879 -3.4879 2.8607 2.8607 3.8175 3.8175 4.7226 4.7226 6.3168 6.3168 6.7678 6.7678 7.0641 7.0641 10.7113 10.7113 11.5264 11.5264 11.8140 11.8140 12.1861 12.1861 k = 0.6115-0.0592-0.2877 ( 3302 PWs) bands (ev): -31.9369 -31.9369 -31.8761 -31.8761 -13.3474 -13.3474 -13.1702 -13.1702 -12.9405 -12.9405 -12.8377 -12.8377 -12.7495 -12.7495 -12.7164 -12.7164 -8.2883 -8.2883 -3.4976 -3.4976 2.8526 2.8526 3.8945 3.8945 4.7554 4.7554 6.2789 6.2789 6.7905 6.7905 7.0630 7.0630 10.7588 10.7588 11.5712 11.5712 11.8072 11.8072 12.1852 12.1852 k = 0.6057-0.0490-0.2683 ( 3302 PWs) bands (ev): -31.9381 -31.9381 -31.8762 -31.8762 -13.3482 -13.3482 -13.1649 -13.1649 -12.9390 -12.9390 -12.8333 -12.8333 -12.7472 -12.7472 -12.7151 -12.7151 -8.2998 -8.2998 -3.5071 -3.5071 2.8450 2.8450 3.9721 3.9721 4.7868 4.7868 6.2416 6.2416 6.8126 6.8126 7.0614 7.0614 10.8068 10.8068 11.6156 11.6156 11.8015 11.8015 12.1858 12.1858 k = 0.5998-0.0389-0.2488 ( 3304 PWs) bands (ev): -31.9392 -31.9392 -31.8763 -31.8763 -13.3490 -13.3490 -13.1597 -13.1597 -12.9377 -12.9377 -12.8288 -12.8288 -12.7453 -12.7453 -12.7137 -12.7137 -8.3110 -8.3110 -3.5164 -3.5164 2.8379 2.8379 4.0497 4.0497 4.8169 4.8169 6.2050 6.2050 6.8339 6.8339 7.0595 7.0595 10.8548 10.8548 11.6593 11.6593 11.7966 11.7966 12.1879 12.1879 k = 0.5939-0.0287-0.2294 ( 3292 PWs) bands (ev): -31.9403 -31.9403 -31.8763 -31.8763 -13.3498 -13.3498 -13.1548 -13.1548 -12.9364 -12.9364 -12.8243 -12.8243 -12.7437 -12.7437 -12.7121 -12.7121 -8.3217 -8.3217 -3.5256 -3.5256 2.8313 2.8313 4.1270 4.1270 4.8459 4.8459 6.1693 6.1693 6.8544 6.8544 7.0572 7.0572 10.9019 10.9019 11.7017 11.7017 11.7922 11.7922 12.1918 12.1918 k = 0.5881-0.0185-0.2100 ( 3292 PWs) bands (ev): -31.9414 -31.9414 -31.8764 -31.8764 -13.3506 -13.3506 -13.1501 -13.1501 -12.9352 -12.9352 -12.8198 -12.8198 -12.7425 -12.7425 -12.7103 -12.7103 -8.3320 -8.3320 -3.5344 -3.5344 2.8253 2.8253 4.2033 4.2033 4.8738 4.8738 6.1347 6.1347 6.8738 6.8738 7.0546 7.0546 10.9472 10.9472 11.7420 11.7420 11.7879 11.7879 12.1980 12.1980 k = 0.5822-0.0084-0.1906 ( 3292 PWs) bands (ev): -31.9424 -31.9424 -31.8765 -31.8765 -13.3514 -13.3514 -13.1456 -13.1456 -12.9341 -12.9341 -12.8152 -12.8152 -12.7416 -12.7416 -12.7085 -12.7085 -8.3417 -8.3417 -3.5430 -3.5430 2.8199 2.8199 4.2781 4.2781 4.9007 4.9007 6.1012 6.1012 6.8922 6.8922 7.0518 7.0518 10.9895 10.9895 11.7775 11.7775 11.7856 11.7856 12.2071 12.2071 k = 0.5763 0.0018-0.1712 ( 3300 PWs) bands (ev): -31.9433 -31.9433 -31.8766 -31.8766 -13.3522 -13.3522 -13.1414 -13.1414 -12.9330 -12.9330 -12.8108 -12.8108 -12.7412 -12.7412 -12.7065 -12.7065 -8.3510 -8.3510 -3.5511 -3.5511 2.8149 2.8149 4.3508 4.3508 4.9268 4.9268 6.0690 6.0690 6.9096 6.9096 7.0489 7.0489 11.0274 11.0274 11.7782 11.7782 11.8145 11.8145 12.2196 12.2196 k = 0.5704 0.0120-0.1518 ( 3300 PWs) bands (ev): -31.9442 -31.9442 -31.8767 -31.8767 -13.3529 -13.3529 -13.1374 -13.1374 -12.9321 -12.9321 -12.8063 -12.8063 -12.7411 -12.7411 -12.7044 -12.7044 -8.3596 -8.3596 -3.5589 -3.5589 2.8105 2.8105 4.4206 4.4206 4.9523 4.9523 6.0381 6.0381 6.9257 6.9257 7.0458 7.0458 11.0592 11.0592 11.7748 11.7748 11.8438 11.8438 12.2346 12.2348 k = 0.5646 0.0221-0.1324 ( 3296 PWs) bands (ev): -31.9450 -31.9450 -31.8768 -31.8768 -13.3537 -13.3537 -13.1337 -13.1337 -12.9311 -12.9311 -12.8019 -12.8019 -12.7413 -12.7413 -12.7022 -12.7022 -8.3677 -8.3677 -3.5663 -3.5663 2.8066 2.8066 4.4868 4.4868 4.9773 4.9773 6.0087 6.0087 6.9407 6.9407 7.0427 7.0427 11.0835 11.0835 11.7732 11.7732 11.8679 11.8679 12.2254 12.2254 k = 0.5587 0.0323-0.1130 ( 3296 PWs) bands (ev): -31.9458 -31.9458 -31.8769 -31.8769 -13.3544 -13.3544 -13.1303 -13.1303 -12.9303 -12.9303 -12.7976 -12.7976 -12.7418 -12.7418 -12.7001 -12.7001 -8.3752 -8.3752 -3.5731 -3.5731 2.8031 2.8031 4.5488 4.5488 5.0020 5.0020 5.9810 5.9810 6.9545 6.9545 7.0397 7.0397 11.0989 11.0989 11.7750 11.7750 11.8865 11.8865 12.1921 12.1921 k = 0.5528 0.0425-0.0936 ( 3300 PWs) bands (ev): -31.9465 -31.9465 -31.8769 -31.8769 -13.3550 -13.3550 -13.1272 -13.1272 -12.9295 -12.9295 -12.7934 -12.7934 -12.7427 -12.7427 -12.6981 -12.6981 -8.3820 -8.3820 -3.5795 -3.5795 2.8001 2.8001 4.6056 4.6056 5.0266 5.0266 5.9549 5.9549 6.9669 6.9669 7.0367 7.0367 11.1049 11.1049 11.7815 11.7815 11.8996 11.8996 12.1604 12.1604 k = 0.5470 0.0526-0.0742 ( 3300 PWs) bands (ev): -31.9471 -31.9471 -31.8770 -31.8770 -13.3557 -13.3557 -13.1244 -13.1244 -12.9288 -12.9288 -12.7893 -12.7893 -12.7438 -12.7438 -12.6961 -12.6961 -8.3882 -8.3882 -3.5853 -3.5853 2.7974 2.7974 4.6567 4.6567 5.0513 5.0513 5.9306 5.9306 6.9781 6.9781 7.0338 7.0338 11.1021 11.1021 11.7929 11.7929 11.9080 11.9080 12.1320 12.1320 k = 0.5411 0.0628-0.0548 ( 3300 PWs) bands (ev): -31.9477 -31.9477 -31.8771 -31.8771 -13.3562 -13.3562 -13.1219 -13.1219 -12.9282 -12.9282 -12.7852 -12.7852 -12.7452 -12.7452 -12.6943 -12.6943 -8.3937 -8.3937 -3.5904 -3.5904 2.7952 2.7952 4.7015 4.7015 5.0757 5.0757 5.9083 5.9083 6.9879 6.9879 7.0312 7.0312 11.0922 11.0922 11.8086 11.8086 11.9126 11.9126 12.1073 12.1073 k = 0.5352 0.0730-0.0354 ( 3306 PWs) bands (ev): -31.9481 -31.9481 -31.8771 -31.8771 -13.3567 -13.3567 -13.1198 -13.1198 -12.9277 -12.9277 -12.7813 -12.7813 -12.7468 -12.7468 -12.6926 -12.6926 -8.3985 -8.3985 -3.5950 -3.5950 2.7933 2.7933 4.7397 4.7397 5.0997 5.0997 5.8882 5.8882 6.9963 6.9963 7.0289 7.0289 11.0773 11.0773 11.8272 11.8272 11.9142 11.9142 12.0864 12.0864 k = 0.5294 0.0831-0.0160 ( 3308 PWs) bands (ev): -31.9486 -31.9486 -31.8772 -31.8772 -13.3572 -13.3572 -13.1180 -13.1180 -12.9272 -12.9272 -12.7776 -12.7776 -12.7486 -12.7486 -12.6912 -12.6912 -8.4025 -8.4025 -3.5989 -3.5989 2.7918 2.7918 4.7712 4.7712 5.1224 5.1224 5.8704 5.8704 7.0033 7.0033 7.0270 7.0270 11.0601 11.0601 11.8469 11.8469 11.9137 11.9137 12.0693 12.0693 k = 0.5235 0.0933 0.0034 ( 3312 PWs) bands (ev): -31.9489 -31.9489 -31.8772 -31.8772 -13.3575 -13.3575 -13.1165 -13.1165 -12.9269 -12.9269 -12.7740 -12.7740 -12.7507 -12.7507 -12.6900 -12.6900 -8.4059 -8.4059 -3.6021 -3.6021 2.7906 2.7906 4.7962 4.7962 5.1432 5.1432 5.8552 5.8552 7.0089 7.0089 7.0255 7.0255 11.0429 11.0429 11.8657 11.8657 11.9119 11.9119 12.0559 12.0559 k = 0.5176 0.1035 0.0228 ( 3312 PWs) bands (ev): -31.9492 -31.9492 -31.8773 -31.8773 -13.3578 -13.3578 -13.1153 -13.1153 -12.9266 -12.9266 -12.7705 -12.7705 -12.7530 -12.7530 -12.6890 -12.6890 -8.4085 -8.4085 -3.6047 -3.6047 2.7896 2.7896 4.8151 4.8151 5.1608 5.1608 5.8429 5.8429 7.0127 7.0127 7.0248 7.0248 11.0274 11.0274 11.8821 11.8821 11.9097 11.9097 12.0458 12.0458 k = 0.5117 0.1136 0.0422 ( 3312 PWs) bands (ev): -31.9494 -31.9494 -31.8773 -31.8773 -13.3580 -13.3580 -13.1145 -13.1145 -12.9264 -12.9264 -12.7672 -12.7672 -12.7554 -12.7554 -12.6883 -12.6883 -8.4104 -8.4104 -3.6065 -3.6065 2.7890 2.7890 4.8282 4.8282 5.1743 5.1743 5.8339 5.8339 7.0150 7.0150 7.0248 7.0248 11.0154 11.0154 11.8948 11.8948 11.9077 11.9077 12.0388 12.0388 k = 0.5059 0.1238 0.0616 ( 3312 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3581 -13.3581 -13.1140 -13.1140 -12.9262 -12.9262 -12.7641 -12.7641 -12.7580 -12.7580 -12.6879 -12.6879 -8.4115 -8.4115 -3.6076 -3.6076 2.7886 2.7886 4.8359 4.8359 5.1828 5.1828 5.8283 5.8283 7.0159 7.0159 7.0252 7.0252 11.0078 11.0078 11.9026 11.9026 11.9064 11.9064 12.0348 12.0348 k = 0.5000 0.1340 0.0811 ( 3312 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3581 -13.3581 -13.1138 -13.1138 -12.9262 -12.9262 -12.7618 -12.7618 -12.7601 -12.7601 -12.6878 -12.6878 -8.4119 -8.4119 -3.6080 -3.6080 2.7885 2.7885 4.8384 4.8384 5.1857 5.1857 5.8264 5.8264 7.0162 7.0162 7.0254 7.0254 11.0051 11.0051 11.9047 11.9047 11.9066 11.9066 12.0335 12.0335 k = 0.5000 0.1340 0.0811 ( 3312 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3581 -13.3581 -13.1138 -13.1138 -12.9262 -12.9262 -12.7618 -12.7618 -12.7601 -12.7601 -12.6878 -12.6878 -8.4119 -8.4119 -3.6080 -3.6080 2.7885 2.7885 4.8384 4.8384 5.1857 5.1857 5.8264 5.8264 7.0162 7.0162 7.0254 7.0254 11.0051 11.0051 11.9047 11.9047 11.9066 11.9066 12.0335 12.0335 k = 0.4783 0.1281 0.0775 ( 3315 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3583 -13.3583 -13.1137 -13.1137 -12.9262 -12.9262 -12.7618 -12.7618 -12.7599 -12.7599 -12.6878 -12.6878 -8.4120 -8.4120 -3.6077 -3.6077 2.7872 2.7872 4.8382 4.8382 5.1854 5.1854 5.8295 5.8295 7.0167 7.0167 7.0260 7.0260 11.0039 11.0039 11.9032 11.9032 11.9050 11.9050 12.0020 12.0020 k = 0.4565 0.1223 0.0740 ( 3309 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3588 -13.3588 -13.1133 -13.1133 -12.9264 -12.9264 -12.7618 -12.7618 -12.7595 -12.7595 -12.6877 -12.6877 -8.4124 -8.4124 -3.6071 -3.6071 2.7836 2.7836 4.8375 4.8375 5.1847 5.1847 5.8388 5.8388 7.0182 7.0182 7.0278 7.0278 10.9998 10.9998 11.8988 11.8988 11.8993 11.8993 11.9292 11.9292 k = 0.4348 0.1165 0.0705 ( 3309 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3597 -13.3597 -13.1128 -13.1128 -12.9266 -12.9266 -12.7618 -12.7618 -12.7587 -12.7587 -12.6877 -12.6877 -8.4130 -8.4130 -3.6061 -3.6061 2.7776 2.7776 4.8363 4.8363 5.1835 5.1835 5.8541 5.8541 7.0207 7.0207 7.0307 7.0307 10.9921 10.9921 11.8356 11.8356 11.8917 11.8917 11.8950 11.8950 k = 0.4130 0.1107 0.0670 ( 3296 PWs) bands (ev): -31.9496 -31.9496 -31.8773 -31.8773 -13.3608 -13.3608 -13.1120 -13.1120 -12.9269 -12.9269 -12.7618 -12.7618 -12.7577 -12.7577 -12.6877 -12.6877 -8.4139 -8.4139 -3.6047 -3.6047 2.7695 2.7695 4.8347 4.8347 5.1819 5.1819 5.8752 5.8752 7.0241 7.0241 7.0347 7.0347 10.9796 10.9796 11.7417 11.7417 11.8822 11.8822 11.8850 11.8850 k = 0.3913 0.1048 0.0634 ( 3290 PWs) bands (ev): -31.9496 -31.9496 -31.8773 -31.8773 -13.3622 -13.3622 -13.1109 -13.1109 -12.9273 -12.9273 -12.7618 -12.7618 -12.7564 -12.7564 -12.6877 -12.6877 -8.4149 -8.4149 -3.6029 -3.6029 2.7594 2.7594 4.8327 4.8327 5.1799 5.1799 5.9016 5.9016 7.0284 7.0284 7.0398 7.0398 10.9601 10.9601 11.6507 11.6507 11.8704 11.8704 11.8732 11.8732 k = 0.3696 0.0990 0.0599 ( 3284 PWs) bands (ev): -31.9496 -31.9496 -31.8772 -31.8772 -13.3639 -13.3639 -13.1098 -13.1098 -12.9277 -12.9277 -12.7618 -12.7618 -12.7549 -12.7549 -12.6877 -12.6877 -8.4162 -8.4162 -3.6009 -3.6009 2.7475 2.7475 4.8303 4.8303 5.1776 5.1776 5.9332 5.9332 7.0335 7.0335 7.0457 7.0457 10.9310 10.9310 11.5682 11.5682 11.8570 11.8570 11.8597 11.8597 k = 0.3478 0.0932 0.0564 ( 3290 PWs) bands (ev): -31.9496 -31.9496 -31.8772 -31.8772 -13.3658 -13.3658 -13.1085 -13.1085 -12.9283 -12.9283 -12.7618 -12.7618 -12.7532 -12.7532 -12.6877 -12.6877 -8.4176 -8.4176 -3.5985 -3.5985 2.7342 2.7342 4.8277 4.8277 5.1749 5.1749 5.9692 5.9692 7.0393 7.0393 7.0525 7.0525 10.8895 10.8895 11.4984 11.4984 11.8420 11.8420 11.8448 11.8448 k = 0.3261 0.0874 0.0529 ( 3290 PWs) bands (ev): -31.9497 -31.9497 -31.8772 -31.8772 -13.3679 -13.3679 -13.1071 -13.1071 -12.9289 -12.9289 -12.7618 -12.7618 -12.7514 -12.7514 -12.6877 -12.6877 -8.4192 -8.4192 -3.5959 -3.5959 2.7197 2.7197 4.8249 4.8249 5.1720 5.1720 6.0092 6.0092 7.0457 7.0457 7.0600 7.0600 10.8342 10.8342 11.4440 11.4440 11.8261 11.8261 11.8290 11.8290 k = 0.3043 0.0815 0.0493 ( 3290 PWs) bands (ev): -31.9497 -31.9497 -31.8771 -31.8771 -13.3701 -13.3701 -13.1057 -13.1057 -12.9295 -12.9295 -12.7618 -12.7618 -12.7494 -12.7494 -12.6877 -12.6877 -8.4209 -8.4209 -3.5931 -3.5931 2.7044 2.7044 4.8220 4.8220 5.1688 5.1688 6.0526 6.0526 7.0525 7.0525 7.0680 7.0680 10.7657 10.7657 11.4052 11.4052 11.8096 11.8096 11.8125 11.8125 k = 0.2826 0.0757 0.0458 ( 3293 PWs) bands (ev): -31.9497 -31.9497 -31.8771 -31.8771 -13.3723 -13.3723 -13.1042 -13.1042 -12.9301 -12.9301 -12.7618 -12.7618 -12.7474 -12.7474 -12.6877 -12.6877 -8.4227 -8.4227 -3.5901 -3.5901 2.6886 2.6886 4.8190 4.8190 5.1656 5.1656 6.0987 6.0987 7.0597 7.0597 7.0765 7.0765 10.6867 10.6867 11.3800 11.3800 11.7928 11.7928 11.7958 11.7958 k = 0.2609 0.0699 0.0423 ( 3290 PWs) bands (ev): -31.9498 -31.9498 -31.8771 -31.8771 -13.3747 -13.3747 -13.1027 -13.1027 -12.9307 -12.9307 -12.7618 -12.7618 -12.7452 -12.7452 -12.6877 -12.6877 -8.4245 -8.4245 -3.5871 -3.5871 2.6725 2.6725 4.8159 4.8159 5.1622 5.1622 6.1467 6.1467 7.0672 7.0672 7.0851 7.0851 10.6010 10.6010 11.3653 11.3653 11.7760 11.7760 11.7791 11.7791 k = 0.2391 0.0641 0.0388 ( 3287 PWs) bands (ev): -31.9498 -31.9498 -31.8770 -31.8770 -13.3769 -13.3769 -13.1012 -13.1012 -12.9314 -12.9314 -12.7618 -12.7618 -12.7431 -12.7431 -12.6877 -12.6877 -8.4263 -8.4263 -3.5840 -3.5840 2.6566 2.6566 4.8129 4.8129 5.1589 5.1589 6.1960 6.1960 7.0748 7.0748 7.0939 7.0939 10.5119 10.5119 11.3585 11.3585 11.7596 11.7596 11.7628 11.7628 k = 0.2174 0.0582 0.0352 ( 3281 PWs) bands (ev): -31.9498 -31.9498 -31.8770 -31.8770 -13.3791 -13.3791 -13.0997 -13.0997 -12.9320 -12.9320 -12.7618 -12.7618 -12.7410 -12.7410 -12.6877 -12.6877 -8.4282 -8.4282 -3.5810 -3.5810 2.6410 2.6410 4.8099 4.8099 5.1556 5.1556 6.2457 6.2457 7.0823 7.0823 7.1026 7.1026 10.4225 10.4225 11.3569 11.3569 11.7439 11.7439 11.7472 11.7472 k = 0.1957 0.0524 0.0317 ( 3281 PWs) bands (ev): -31.9499 -31.9499 -31.8770 -31.8770 -13.3813 -13.3813 -13.0984 -13.0984 -12.9326 -12.9326 -12.7618 -12.7618 -12.7390 -12.7390 -12.6877 -12.6877 -8.4299 -8.4299 -3.5780 -3.5780 2.6260 2.6260 4.8071 4.8071 5.1524 5.1524 6.2949 6.2949 7.0896 7.0896 7.1110 7.1110 10.3352 10.3352 11.3589 11.3589 11.7289 11.7289 11.7323 11.7323 k = 0.1739 0.0466 0.0282 ( 3275 PWs) bands (ev): -31.9499 -31.9499 -31.8769 -31.8769 -13.3833 -13.3833 -13.0971 -13.0971 -12.9331 -12.9331 -12.7618 -12.7618 -12.7371 -12.7371 -12.6876 -12.6876 -8.4316 -8.4316 -3.5752 -3.5752 2.6119 2.6119 4.8045 4.8045 5.1494 5.1494 6.3428 6.3428 7.0966 7.0966 7.1191 7.1191 10.2518 10.2518 11.3632 11.3632 11.7151 11.7151 11.7186 11.7186 k = 0.1522 0.0408 0.0247 ( 3272 PWs) bands (ev): -31.9499 -31.9499 -31.8769 -31.8769 -13.3851 -13.3851 -13.0959 -13.0959 -12.9336 -12.9336 -12.7618 -12.7618 -12.7352 -12.7352 -12.6876 -12.6876 -8.4332 -8.4332 -3.5726 -3.5726 2.5990 2.5990 4.8020 4.8020 5.1467 5.1467 6.3882 6.3882 7.1031 7.1031 7.1266 7.1266 10.1740 10.1740 11.3688 11.3688 11.7025 11.7025 11.7061 11.7061 k = 0.1304 0.0349 0.0211 ( 3272 PWs) bands (ev): -31.9500 -31.9500 -31.8769 -31.8769 -13.3868 -13.3868 -13.0948 -13.0948 -12.9341 -12.9341 -12.7618 -12.7618 -12.7336 -12.7336 -12.6876 -12.6876 -8.4346 -8.4346 -3.5702 -3.5702 2.5873 2.5873 4.7998 4.7998 5.1441 5.1441 6.4304 6.4304 7.1091 7.1091 7.1334 7.1334 10.1033 10.1033 11.3751 11.3751 11.6913 11.6913 11.6950 11.6950 k = 0.1087 0.0291 0.0176 ( 3272 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3883 -13.3883 -13.0939 -13.0939 -12.9345 -12.9345 -12.7618 -12.7618 -12.7323 -12.7323 -12.6876 -12.6876 -8.4359 -8.4359 -3.5681 -3.5681 2.5772 2.5772 4.7979 4.7979 5.1419 5.1419 6.4682 6.4682 7.1144 7.1144 7.1394 7.1394 10.0409 10.0409 11.3812 11.3812 11.6817 11.6817 11.6854 11.6854 k = 0.0870 0.0233 0.0141 ( 3281 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3895 -13.3895 -13.0932 -13.0932 -12.9348 -12.9348 -12.7618 -12.7618 -12.7311 -12.7311 -12.6876 -12.6876 -8.4369 -8.4369 -3.5663 -3.5663 2.5686 2.5686 4.7963 4.7963 5.1401 5.1401 6.5007 6.5007 7.1189 7.1189 7.1445 7.1445 9.9881 9.9881 11.3870 11.3870 11.6736 11.6736 11.6774 11.6774 k = 0.0652 0.0175 0.0106 ( 3275 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3905 -13.3905 -13.0926 -13.0926 -12.9350 -12.9350 -12.7618 -12.7618 -12.7302 -12.7302 -12.6876 -12.6876 -8.4378 -8.4378 -3.5649 -3.5649 2.5619 2.5619 4.7951 4.7951 5.1386 5.1386 6.5271 6.5271 7.1225 7.1225 7.1485 7.1485 9.9458 9.9458 11.3918 11.3918 11.6672 11.6672 11.6711 11.6711 k = 0.0435 0.0116 0.0070 ( 3281 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3912 -13.3912 -13.0922 -13.0922 -12.9352 -12.9352 -12.7618 -12.7618 -12.7295 -12.7295 -12.6876 -12.6876 -8.4384 -8.4384 -3.5639 -3.5639 2.5570 2.5570 4.7941 4.7941 5.1375 5.1375 6.5465 6.5465 7.1251 7.1251 7.1515 7.1515 9.9149 9.9149 11.3955 11.3955 11.6626 11.6626 11.6665 11.6665 k = 0.0217 0.0058 0.0035 ( 3293 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3917 -13.3917 -13.0919 -13.0919 -12.9354 -12.9354 -12.7618 -12.7618 -12.7291 -12.7291 -12.6876 -12.6876 -8.4388 -8.4388 -3.5633 -3.5633 2.5540 2.5540 4.7936 4.7936 5.1369 5.1369 6.5584 6.5584 7.1267 7.1267 7.1533 7.1533 9.8961 9.8961 11.3979 11.3979 11.6598 11.6598 11.6637 11.6637 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3918 -13.3918 -13.0918 -13.0918 -12.9354 -12.9354 -12.7618 -12.7618 -12.7289 -12.7289 -12.6875 -12.6875 -8.4389 -8.4389 -3.5631 -3.5631 2.5531 2.5531 4.7934 4.7934 5.1367 5.1367 6.5624 6.5624 7.1272 7.1272 7.1539 7.1539 9.8898 9.8898 11.3987 11.3987 11.6590 11.6590 11.6629 11.6629 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3918 -13.3918 -13.0918 -13.0918 -12.9354 -12.9354 -12.7618 -12.7618 -12.7289 -12.7289 -12.6875 -12.6875 -8.4389 -8.4389 -3.5631 -3.5631 2.5531 2.5531 4.7934 4.7934 5.1367 5.1367 6.5624 6.5624 7.1272 7.1272 7.1539 7.1539 9.8898 9.8898 11.3987 11.3987 11.6590 11.6590 11.6629 11.6629 k = 0.0059-0.0102-0.0195 ( 3283 PWs) bands (ev): -31.9500 -31.9500 -31.8768 -31.8768 -13.3917 -13.3917 -13.0920 -13.0920 -12.9355 -12.9355 -12.7621 -12.7621 -12.7288 -12.7288 -12.6877 -12.6877 -8.4384 -8.4384 -3.5628 -3.5628 2.5538 2.5538 4.7913 4.7913 5.1344 5.1344 6.5627 6.5627 7.1255 7.1255 7.1522 7.1522 9.8948 9.8948 11.4022 11.4022 11.6566 11.6566 11.6633 11.6633 k = 0.0118-0.0204-0.0389 ( 3285 PWs) bands (ev): -31.9499 -31.9499 -31.8768 -31.8768 -13.3914 -13.3914 -13.0926 -13.0926 -12.9356 -12.9356 -12.7630 -12.7630 -12.7286 -12.7286 -12.6883 -12.6883 -8.4371 -8.4371 -3.5620 -3.5620 2.5560 2.5560 4.7849 4.7849 5.1277 5.1277 6.5637 6.5637 7.1196 7.1196 7.1483 7.1483 9.9096 9.9096 11.4128 11.4128 11.6463 11.6463 11.6679 11.6679 k = 0.0177-0.0306-0.0584 ( 3289 PWs) bands (ev): -31.9497 -31.9497 -31.8767 -31.8767 -13.3910 -13.3910 -13.0935 -13.0935 -12.9359 -12.9359 -12.7645 -12.7645 -12.7281 -12.7281 -12.6891 -12.6891 -8.4350 -8.4350 -3.5607 -3.5607 2.5596 2.5596 4.7740 4.7740 5.1170 5.1170 6.5654 6.5654 7.1074 7.1074 7.1444 7.1444 9.9339 9.9339 11.4303 11.4303 11.6286 11.6286 11.6765 11.6765 k = 0.0236-0.0408-0.0779 ( 3289 PWs) bands (ev): -31.9494 -31.9494 -31.8767 -31.8767 -13.3904 -13.3904 -13.0948 -13.0948 -12.9362 -12.9362 -12.7664 -12.7664 -12.7276 -12.7276 -12.6902 -12.6902 -8.4320 -8.4320 -3.5589 -3.5589 2.5647 2.5647 4.7583 4.7583 5.1026 5.1026 6.5677 6.5677 7.0886 7.0886 7.1415 7.1415 9.9670 9.9670 11.4541 11.4541 11.6042 11.6042 11.6889 11.6889 k = 0.0294-0.0510-0.0973 ( 3291 PWs) bands (ev): -31.9491 -31.9491 -31.8767 -31.8767 -13.3896 -13.3896 -13.0964 -13.0964 -12.9366 -12.9366 -12.7688 -12.7688 -12.7271 -12.7271 -12.6916 -12.6916 -8.4281 -8.4281 -3.5566 -3.5566 2.5711 2.5711 4.7374 4.7374 5.0852 5.0852 6.5707 6.5707 7.0641 7.0641 7.1394 7.1394 10.0082 10.0082 11.4837 11.4837 11.5735 11.5735 11.7054 11.7054 k = 0.0353-0.0612-0.1168 ( 3289 PWs) bands (ev): -31.9487 -31.9487 -31.8766 -31.8766 -13.3886 -13.3886 -13.0984 -13.0984 -12.9372 -12.9372 -12.7715 -12.7715 -12.7267 -12.7267 -12.6932 -12.6932 -8.4234 -8.4234 -3.5537 -3.5537 2.5790 2.5790 4.7110 4.7110 5.0655 5.0655 6.5743 6.5743 7.0350 7.0350 7.1375 7.1375 10.0566 10.0566 11.5179 11.5179 11.5372 11.5372 11.7264 11.7264 k = 0.0412-0.0714-0.1363 ( 3287 PWs) bands (ev): -31.9482 -31.9482 -31.8765 -31.8765 -13.3875 -13.3875 -13.1007 -13.1007 -12.9378 -12.9378 -12.7746 -12.7746 -12.7265 -12.7265 -12.6950 -12.6950 -8.4179 -8.4179 -3.5504 -3.5504 2.5881 2.5881 4.6786 4.6786 5.0441 5.0441 6.5786 6.5786 7.0022 7.0022 7.1356 7.1356 10.1111 10.1111 11.4956 11.4956 11.5560 11.5560 11.7528 11.7528 k = 0.0471-0.0816-0.1557 ( 3290 PWs) bands (ev): -31.9476 -31.9476 -31.8765 -31.8765 -13.3863 -13.3863 -13.1035 -13.1035 -12.9385 -12.9385 -12.7779 -12.7779 -12.7264 -12.7264 -12.6970 -12.6970 -8.4116 -8.4116 -3.5467 -3.5467 2.5986 2.5986 4.6402 4.6402 5.0218 5.0218 6.5834 6.5834 6.9667 6.9667 7.1338 7.1338 10.1709 10.1709 11.4503 11.4503 11.5957 11.5957 11.7854 11.7854 k = 0.0530-0.0918-0.1752 ( 3290 PWs) bands (ev): -31.9470 -31.9470 -31.8764 -31.8764 -13.3849 -13.3849 -13.1065 -13.1065 -12.9392 -12.9392 -12.7815 -12.7815 -12.7267 -12.7267 -12.6989 -12.6989 -8.4046 -8.4046 -3.5424 -3.5424 2.6103 2.6103 4.5957 4.5957 4.9989 4.9989 6.5888 6.5888 6.9292 6.9292 7.1319 7.1319 10.2350 10.2350 11.4018 11.4018 11.6355 11.6355 11.8254 11.8254 k = 0.0589-0.1020-0.1946 ( 3298 PWs) bands (ev): -31.9463 -31.9463 -31.8763 -31.8763 -13.3834 -13.3834 -13.1099 -13.1099 -12.9401 -12.9401 -12.7853 -12.7853 -12.7274 -12.7274 -12.7009 -12.7009 -8.3968 -8.3968 -3.5378 -3.5378 2.6232 2.6232 4.5454 4.5454 4.9756 4.9756 6.5948 6.5948 6.8904 6.8904 7.1299 7.1299 10.3027 10.3027 11.3512 11.3512 11.6739 11.6739 11.8733 11.8733 k = 0.0648-0.1122-0.2141 ( 3298 PWs) bands (ev): -31.9455 -31.9455 -31.8763 -31.8763 -13.3818 -13.3818 -13.1136 -13.1136 -12.9410 -12.9410 -12.7893 -12.7893 -12.7284 -12.7284 -12.7027 -12.7027 -8.3883 -8.3883 -3.5327 -3.5327 2.6372 2.6372 4.4896 4.4896 4.9521 4.9521 6.6013 6.6013 6.8507 6.8507 7.1279 7.1279 10.3729 10.3729 11.2991 11.2991 11.7101 11.7101 11.9290 11.9290 k = 0.0707-0.1224-0.2336 ( 3296 PWs) bands (ev): -31.9447 -31.9447 -31.8762 -31.8762 -13.3800 -13.3800 -13.1177 -13.1177 -12.9420 -12.9420 -12.7934 -12.7934 -12.7300 -12.7300 -12.7044 -12.7044 -8.3791 -8.3791 -3.5272 -3.5272 2.6523 2.6523 4.4290 4.4290 4.9283 4.9283 6.6084 6.6084 6.8107 6.8107 7.1258 7.1258 10.4452 10.4452 11.2463 11.2463 11.7439 11.7439 11.9914 11.9914 k = 0.0765-0.1326-0.2530 ( 3294 PWs) bands (ev): -31.9438 -31.9438 -31.8761 -31.8761 -13.3782 -13.3782 -13.1220 -13.1220 -12.9430 -12.9430 -12.7977 -12.7977 -12.7320 -12.7320 -12.7059 -12.7059 -8.3693 -8.3693 -3.5214 -3.5214 2.6683 2.6683 4.3641 4.3641 4.9041 4.9041 6.6159 6.6159 6.7709 6.7709 7.1236 7.1236 10.5187 10.5187 11.1936 11.1936 11.7754 11.7754 12.0593 12.0593 k = 0.0824-0.1428-0.2725 ( 3292 PWs) bands (ev): -31.9428 -31.9428 -31.8760 -31.8760 -13.3763 -13.3763 -13.1266 -13.1266 -12.9441 -12.9441 -12.8021 -12.8021 -12.7344 -12.7344 -12.7072 -12.7072 -8.3589 -8.3589 -3.5152 -3.5152 2.6852 2.6852 4.2957 4.2957 4.8792 4.8792 6.6238 6.6238 6.7315 6.7315 7.1213 7.1213 10.5929 10.5929 11.1414 11.1414 11.8041 11.8041 12.1311 12.1311 k = 0.0883-0.1530-0.2920 ( 3292 PWs) bands (ev): -31.9418 -31.9418 -31.8759 -31.8759 -13.3743 -13.3743 -13.1315 -13.1315 -12.9453 -12.9453 -12.8066 -12.8066 -12.7373 -12.7373 -12.7084 -12.7084 -8.3479 -8.3479 -3.5087 -3.5087 2.7029 2.7029 4.2244 4.2244 4.8536 4.8536 6.6321 6.6321 6.6929 6.6929 7.1190 7.1190 10.6673 10.6673 11.0903 11.0903 11.8293 11.8293 12.2058 12.2058 k = 0.0942-0.1632-0.3114 ( 3298 PWs) bands (ev): -31.9407 -31.9407 -31.8759 -31.8759 -13.3723 -13.3723 -13.1366 -13.1366 -12.9465 -12.9465 -12.8112 -12.8112 -12.7405 -12.7405 -12.7094 -12.7094 -8.3365 -8.3365 -3.5019 -3.5019 2.7212 2.7212 4.1509 4.1509 4.8271 4.8271 6.6401 6.6401 6.6561 6.6561 7.1166 7.1166 10.7415 10.7415 11.0407 11.0407 11.8500 11.8500 12.2819 12.2820 k = 0.1001-0.1734-0.3309 ( 3302 PWs) bands (ev): -31.9396 -31.9396 -31.8758 -31.8758 -13.3702 -13.3702 -13.1420 -13.1420 -12.9477 -12.9477 -12.8159 -12.8159 -12.7439 -12.7439 -12.7104 -12.7104 -8.3245 -8.3245 -3.4948 -3.4948 2.7402 2.7402 4.0757 4.0757 4.7995 4.7995 6.6179 6.6179 6.6509 6.6509 7.1141 7.1141 10.8148 10.8148 10.9929 10.9929 11.8644 11.8644 12.3583 12.3583 k = 0.1060-0.1836-0.3504 ( 3302 PWs) bands (ev): -31.9384 -31.9384 -31.8757 -31.8757 -13.3681 -13.3681 -13.1476 -13.1476 -12.9490 -12.9490 -12.8206 -12.8206 -12.7475 -12.7475 -12.7114 -12.7114 -8.3121 -8.3121 -3.4875 -3.4875 2.7596 2.7596 3.9996 3.9996 4.7707 4.7707 6.5829 6.5829 6.6602 6.6602 7.1116 7.1116 10.8870 10.8870 10.9474 10.9474 11.8707 11.8707 12.3854 12.3855 k = 0.1119-0.1938-0.3698 ( 3298 PWs) bands (ev): -31.9372 -31.9372 -31.8757 -31.8757 -13.3660 -13.3660 -13.1534 -13.1534 -12.9503 -12.9503 -12.8254 -12.8254 -12.7512 -12.7512 -12.7123 -12.7123 -8.2993 -8.2993 -3.4799 -3.4799 2.7794 2.7794 3.9229 3.9229 4.7406 4.7406 6.5493 6.5493 6.6699 6.6699 7.1088 7.1088 10.9040 10.9040 10.9579 10.9579 11.8675 11.8675 12.3824 12.3824 k = 0.1178-0.2040-0.3893 ( 3302 PWs) bands (ev): -31.9360 -31.9360 -31.8756 -31.8756 -13.3639 -13.3639 -13.1593 -13.1593 -12.9517 -12.9517 -12.8302 -12.8302 -12.7550 -12.7550 -12.7133 -12.7133 -8.2862 -8.2862 -3.4722 -3.4722 2.7994 2.7994 3.8463 3.8463 4.7092 4.7092 6.5171 6.5171 6.6800 6.6800 7.1060 7.1060 10.8636 10.8636 11.0267 11.0267 11.8547 11.8547 12.3911 12.3911 k = 0.1236-0.2142-0.4088 ( 3306 PWs) bands (ev): -31.9347 -31.9347 -31.8756 -31.8756 -13.3618 -13.3618 -13.1654 -13.1654 -12.9531 -12.9531 -12.8349 -12.8349 -12.7588 -12.7588 -12.7144 -12.7144 -8.2728 -8.2728 -3.4643 -3.4643 2.8193 2.8193 3.7703 3.7703 4.6765 4.6765 6.4866 6.4866 6.6903 6.6903 7.1029 7.1029 10.8262 10.8262 11.0932 11.0932 11.8335 11.8335 12.4107 12.4107 k = 0.1295-0.2244-0.4282 ( 3302 PWs) bands (ev): -31.9333 -31.9333 -31.8756 -31.8756 -13.3598 -13.3598 -13.1716 -13.1716 -12.9544 -12.9544 -12.8396 -12.8396 -12.7626 -12.7626 -12.7155 -12.7155 -8.2592 -8.2592 -3.4563 -3.4563 2.8391 2.8391 3.6954 3.6954 4.6423 4.6423 6.4579 6.4579 6.7009 6.7009 7.0996 7.0996 10.7918 10.7918 11.1571 11.1571 11.8057 11.8057 12.4397 12.4397 k = 0.1354-0.2346-0.4477 ( 3306 PWs) bands (ev): -31.9320 -31.9320 -31.8755 -31.8755 -13.3578 -13.3578 -13.1779 -13.1779 -12.9558 -12.9558 -12.8442 -12.8442 -12.7665 -12.7665 -12.7167 -12.7167 -8.2454 -8.2454 -3.4482 -3.4482 2.8584 2.8584 3.6222 3.6222 4.6068 4.6068 6.4309 6.4309 6.7116 6.7116 7.0960 7.0960 10.7607 10.7607 11.2180 11.2180 11.7732 11.7732 12.4759 12.4760 k = 0.1413-0.2448-0.4672 ( 3312 PWs) bands (ev): -31.9306 -31.9306 -31.8756 -31.8756 -13.3558 -13.3558 -13.1842 -13.1842 -12.9573 -12.9573 -12.8488 -12.8488 -12.7704 -12.7704 -12.7180 -12.7180 -8.2314 -8.2314 -3.4400 -3.4400 2.8770 2.8770 3.5511 3.5511 4.5698 4.5698 6.4057 6.4057 6.7225 6.7225 7.0920 7.0920 10.7331 10.7331 11.2756 11.2756 11.7378 11.7378 12.5180 12.5180 k = 0.1472-0.2550-0.4866 ( 3314 PWs) bands (ev): -31.9292 -31.9292 -31.8756 -31.8756 -13.3539 -13.3539 -13.1906 -13.1906 -12.9588 -12.9588 -12.8531 -12.8531 -12.7742 -12.7742 -12.7193 -12.7193 -8.2173 -8.2173 -3.4317 -3.4317 2.8944 2.8944 3.4829 3.4829 4.5314 4.5314 6.3824 6.3824 6.7335 6.7335 7.0878 7.0878 10.7090 10.7090 11.3295 11.3295 11.7009 11.7009 12.5644 12.5644 k = 0.1531-0.2652-0.5061 ( 3320 PWs) bands (ev): -31.9278 -31.9278 -31.8756 -31.8756 -13.3521 -13.3521 -13.1970 -13.1970 -12.9603 -12.9603 -12.8573 -12.8573 -12.7781 -12.7781 -12.7207 -12.7207 -8.2032 -8.2032 -3.4235 -3.4235 2.9099 2.9099 3.4184 3.4184 4.4916 4.4916 6.3609 6.3609 6.7445 6.7445 7.0831 7.0831 10.6885 10.6885 11.3794 11.3794 11.6633 11.6633 12.6140 12.6141 k = 0.1590-0.2754-0.5256 ( 3318 PWs) bands (ev): -31.9263 -31.9263 -31.8757 -31.8757 -13.3503 -13.3503 -13.2033 -13.2033 -12.9618 -12.9618 -12.8613 -12.8613 -12.7818 -12.7818 -12.7222 -12.7222 -8.1891 -8.1891 -3.4153 -3.4153 2.9227 2.9227 3.3587 3.3587 4.4505 4.4505 6.3414 6.3414 6.7555 6.7555 7.0781 7.0781 10.6718 10.6718 11.4244 11.4244 11.6264 11.6264 12.6636 12.6642 k = 0.1649-0.2856-0.5450 ( 3312 PWs) bands (ev): -31.9248 -31.9248 -31.8758 -31.8758 -13.3486 -13.3486 -13.2096 -13.2096 -12.9634 -12.9634 -12.8651 -12.8651 -12.7855 -12.7855 -12.7237 -12.7237 -8.1751 -8.1751 -3.4071 -3.4071 2.9314 2.9314 3.3053 3.3053 4.4082 4.4082 6.3238 6.3238 6.7664 6.7664 7.0726 7.0726 10.6590 10.6590 11.4633 11.4633 11.5916 11.5916 12.6898 12.6899 k = 0.1708-0.2958-0.5645 ( 3310 PWs) bands (ev): -31.9234 -31.9234 -31.8759 -31.8759 -13.3469 -13.3469 -13.2158 -13.2158 -12.9651 -12.9651 -12.8686 -12.8686 -12.7892 -12.7892 -12.7253 -12.7253 -8.1612 -8.1612 -3.3990 -3.3990 2.9341 2.9341 3.2603 3.2603 4.3646 4.3646 6.3080 6.3080 6.7771 6.7771 7.0667 7.0667 10.6500 10.6500 11.4904 11.4904 11.5648 11.5648 12.6982 12.6982 k = 0.1766-0.3060-0.5839 ( 3310 PWs) bands (ev): -31.9219 -31.9219 -31.8760 -31.8760 -13.3453 -13.3453 -13.2219 -13.2219 -12.9669 -12.9669 -12.8718 -12.8718 -12.7928 -12.7928 -12.7270 -12.7270 -8.1474 -8.1474 -3.3910 -3.3910 2.9286 2.9286 3.2259 3.2259 4.3199 4.3199 6.2942 6.2942 6.7876 6.7876 7.0604 7.0604 10.6449 10.6449 11.4881 11.4881 11.5636 11.5636 12.6979 12.6979 k = 0.1825-0.3162-0.6034 ( 3308 PWs) bands (ev): -31.9204 -31.9204 -31.8762 -31.8762 -13.3438 -13.3438 -13.2279 -13.2279 -12.9688 -12.9688 -12.8747 -12.8747 -12.7964 -12.7964 -12.7287 -12.7287 -8.1338 -8.1338 -3.3831 -3.3831 2.9136 2.9136 3.2036 3.2036 4.2741 4.2741 6.2822 6.2822 6.7976 6.7976 7.0538 7.0538 10.6438 10.6438 11.4619 11.4619 11.5828 11.5828 12.6889 12.6889 k = 0.1884-0.3264-0.6229 ( 3308 PWs) bands (ev): -31.9189 -31.9189 -31.8764 -31.8764 -13.3423 -13.3423 -13.2337 -13.2337 -12.9708 -12.9708 -12.8773 -12.8773 -12.7999 -12.7999 -12.7304 -12.7304 -8.1204 -8.1204 -3.3754 -3.3754 2.8898 2.8898 3.1927 3.1927 4.2273 4.2273 6.2722 6.2722 6.8071 6.8071 7.0470 7.0470 10.6466 10.6466 11.4304 11.4304 11.6037 11.6037 12.6714 12.6714 k = 0.1943-0.3366-0.6423 ( 3304 PWs) bands (ev): -31.9174 -31.9174 -31.8766 -31.8766 -13.3409 -13.3409 -13.2393 -13.2393 -12.9730 -12.9730 -12.8795 -12.8795 -12.8034 -12.8034 -12.7322 -12.7322 -8.1074 -8.1074 -3.3678 -3.3678 2.8598 2.8598 3.1908 3.1908 4.1797 4.1797 6.2639 6.2639 6.8158 6.8158 7.0402 7.0402 10.6533 10.6533 11.3985 11.3985 11.6217 11.6217 12.6464 12.6464 k = 0.2002-0.3468-0.6618 ( 3306 PWs) bands (ev): -31.9160 -31.9160 -31.8768 -31.8768 -13.3396 -13.3396 -13.2447 -13.2447 -12.9753 -12.9753 -12.8813 -12.8813 -12.8068 -12.8068 -12.7340 -12.7340 -8.0947 -8.0947 -3.3604 -3.3604 2.8266 2.8266 3.1949 3.1949 4.1312 4.1312 6.2575 6.2575 6.8234 6.8234 7.0336 7.0336 10.6640 10.6640 11.3671 11.3671 11.6357 11.6357 12.6157 12.6157 k = 0.2061-0.3570-0.6813 ( 3302 PWs) bands (ev): -31.9145 -31.9145 -31.8771 -31.8771 -13.3382 -13.3382 -13.2499 -13.2499 -12.9777 -12.9777 -12.8828 -12.8828 -12.8101 -12.8101 -12.7359 -12.7359 -8.0823 -8.0823 -3.3533 -3.3533 2.7926 2.7926 3.2027 3.2027 4.0822 4.0822 6.2529 6.2529 6.8295 6.8295 7.0274 7.0274 10.6787 10.6787 11.3367 11.3367 11.6455 11.6455 12.5809 12.5809 k = 0.2120-0.3671-0.7007 ( 3298 PWs) bands (ev): -31.9131 -31.9131 -31.8774 -31.8774 -13.3370 -13.3370 -13.2549 -13.2549 -12.9803 -12.9803 -12.8839 -12.8839 -12.8134 -12.8134 -12.7377 -12.7377 -8.0704 -8.0704 -3.3464 -3.3464 2.7594 2.7594 3.2126 3.2126 4.0325 4.0325 6.2501 6.2501 6.8339 6.8339 7.0221 7.0221 10.6971 10.6971 11.3076 11.3076 11.6512 11.6512 12.5437 12.5437 k = 0.2179-0.3773-0.7202 ( 3298 PWs) bands (ev): -31.9116 -31.9116 -31.8777 -31.8777 -13.3357 -13.3357 -13.2596 -13.2596 -12.9831 -12.9831 -12.8846 -12.8846 -12.8166 -12.8166 -12.7396 -12.7396 -8.0589 -8.0589 -3.3398 -3.3398 2.7281 2.7281 3.2236 3.2236 3.9825 3.9825 6.2489 6.2489 6.8360 6.8360 7.0180 7.0180 10.7193 10.7193 11.2797 11.2797 11.6527 11.6527 12.5053 12.5053 k = 0.2237-0.3875-0.7397 ( 3304 PWs) bands (ev): -31.9102 -31.9102 -31.8781 -31.8781 -13.3345 -13.3345 -13.2641 -13.2641 -12.9860 -12.9860 -12.8850 -12.8850 -12.8197 -12.8197 -12.7415 -12.7415 -8.0478 -8.0478 -3.3335 -3.3335 2.6994 2.6994 3.2348 3.2348 3.9322 3.9322 6.2495 6.2495 6.8355 6.8355 7.0155 7.0155 10.7452 10.7452 11.2531 11.2531 11.6503 11.6503 12.4668 12.4668 k = 0.2296-0.3977-0.7591 ( 3304 PWs) bands (ev): -31.9088 -31.9088 -31.8785 -31.8785 -13.3332 -13.3332 -13.2683 -13.2683 -12.9890 -12.9890 -12.8850 -12.8850 -12.8228 -12.8228 -12.7434 -12.7434 -8.0373 -8.0373 -3.3275 -3.3275 2.6738 2.6738 3.2459 3.2459 3.8819 3.8819 6.2518 6.2518 6.8321 6.8321 7.0149 7.0149 10.7747 10.7747 11.2277 11.2277 11.6442 11.6442 12.4289 12.4289 k = 0.2355-0.4079-0.7786 ( 3308 PWs) bands (ev): -31.9074 -31.9074 -31.8789 -31.8789 -13.3320 -13.3320 -13.2722 -13.2722 -12.9922 -12.9922 -12.8848 -12.8848 -12.8257 -12.8257 -12.7453 -12.7453 -8.0273 -8.0273 -3.3217 -3.3217 2.6516 2.6516 3.2563 3.2563 3.8317 3.8317 6.2556 6.2556 6.8258 6.8258 7.0161 7.0161 10.8077 10.8077 11.2037 11.2037 11.6345 11.6345 12.3922 12.3922 k = 0.2414-0.4181-0.7981 ( 3312 PWs) bands (ev): -31.9061 -31.9061 -31.8793 -31.8793 -13.3307 -13.3307 -13.2759 -13.2759 -12.9954 -12.9954 -12.8843 -12.8843 -12.8285 -12.8285 -12.7471 -12.7471 -8.0179 -8.0179 -3.3164 -3.3164 2.6330 2.6330 3.2659 3.2659 3.7818 3.7818 6.2611 6.2611 6.8168 6.8168 7.0189 7.0189 10.8441 10.8441 11.1809 11.1809 11.6214 11.6214 12.3573 12.3573 k = 0.2473-0.4283-0.8175 ( 3310 PWs) bands (ev): -31.9048 -31.9048 -31.8798 -31.8798 -13.3295 -13.3295 -13.2793 -13.2793 -12.9986 -12.9986 -12.8835 -12.8835 -12.8312 -12.8312 -12.7489 -12.7489 -8.0091 -8.0091 -3.3113 -3.3113 2.6181 2.6181 3.2742 3.2742 3.7327 3.7327 6.2680 6.2680 6.8054 6.8054 7.0232 7.0232 10.8839 10.8839 11.1594 11.1594 11.6052 11.6052 12.3244 12.3244 k = 0.2532-0.4385-0.8370 ( 3310 PWs) bands (ev): -31.9035 -31.9035 -31.8803 -31.8803 -13.3282 -13.3282 -13.2825 -13.2825 -13.0019 -13.0019 -12.8826 -12.8826 -12.8338 -12.8338 -12.7507 -12.7507 -8.0008 -8.0008 -3.3067 -3.3067 2.6071 2.6071 3.2808 3.2808 3.6846 3.6846 6.2765 6.2765 6.7919 6.7919 7.0285 7.0285 10.9268 10.9268 11.1390 11.1390 11.5858 11.5858 12.2938 12.2938 k = 0.2591-0.4487-0.8565 ( 3314 PWs) bands (ev): -31.9022 -31.9022 -31.8808 -31.8808 -13.3269 -13.3269 -13.2853 -13.2853 -13.0052 -13.0052 -12.8815 -12.8815 -12.8363 -12.8363 -12.7523 -12.7523 -7.9932 -7.9932 -3.3023 -3.3023 2.5999 2.5999 3.2853 3.2853 3.6383 3.6383 6.2864 6.2864 6.7766 6.7766 7.0346 7.0346 10.9728 10.9728 11.1198 11.1198 11.5635 11.5635 12.2657 12.2657 k = 0.2650-0.4589-0.8759 ( 3316 PWs) bands (ev): -31.9010 -31.9010 -31.8814 -31.8814 -13.3257 -13.3257 -13.2880 -13.2880 -13.0084 -13.0084 -12.8802 -12.8802 -12.8386 -12.8386 -12.7540 -12.7540 -7.9862 -7.9862 -3.2984 -3.2984 2.5967 2.5967 3.2868 3.2868 3.5944 3.5944 6.2977 6.2977 6.7599 6.7599 7.0411 7.0411 11.0216 11.0216 11.1018 11.1018 11.5383 11.5383 12.2404 12.2404 k = 0.2708-0.4691-0.8954 ( 3322 PWs) bands (ev): -31.8998 -31.8998 -31.8820 -31.8820 -13.3244 -13.3244 -13.2904 -13.2904 -13.0115 -13.0115 -12.8789 -12.8789 -12.8408 -12.8408 -12.7555 -12.7555 -7.9798 -7.9798 -3.2948 -3.2948 2.5973 2.5973 3.2845 3.2845 3.5541 3.5541 6.3104 6.3104 6.7420 6.7420 7.0478 7.0478 11.0718 11.0718 11.0861 11.0861 11.5103 11.5103 12.2178 12.2178 k = 0.2767-0.4793-0.9149 ( 3324 PWs) bands (ev): -31.8986 -31.8986 -31.8826 -31.8826 -13.3231 -13.3231 -13.2925 -13.2925 -13.0146 -13.0146 -12.8775 -12.8775 -12.8428 -12.8428 -12.7570 -12.7570 -7.9740 -7.9740 -3.2916 -3.2916 2.6016 2.6016 3.2769 3.2769 3.5189 3.5189 6.3244 6.3244 6.7232 6.7232 7.0545 7.0545 11.0678 11.0678 11.1283 11.1283 11.4797 11.4797 12.1981 12.1981 k = 0.2826-0.4895-0.9343 ( 3320 PWs) bands (ev): -31.8975 -31.8975 -31.8832 -31.8832 -13.3218 -13.3218 -13.2944 -13.2944 -13.0174 -13.0174 -12.8761 -12.8761 -12.8446 -12.8446 -12.7583 -12.7583 -7.9689 -7.9689 -3.2887 -3.2887 2.6096 2.6096 3.2630 3.2630 3.4900 3.4900 6.3396 6.3396 6.7036 6.7036 7.0611 7.0611 11.0527 11.0527 11.1849 11.1849 11.4464 11.4464 12.1812 12.1812 k = 0.2885-0.4997-0.9538 ( 3316 PWs) bands (ev): -31.8964 -31.8964 -31.8839 -31.8839 -13.3206 -13.3206 -13.2962 -13.2962 -13.0201 -13.0201 -12.8748 -12.8748 -12.8462 -12.8462 -12.7595 -12.7595 -7.9644 -7.9644 -3.2862 -3.2862 2.6210 2.6210 3.2422 3.2422 3.4684 3.4684 6.3561 6.3561 6.6834 6.6834 7.0675 7.0675 11.0382 11.0382 11.2440 11.2440 11.4108 11.4108 12.1673 12.1673 k = 0.2944-0.5099-0.9732 ( 3320 PWs) bands (ev): -31.8954 -31.8954 -31.8846 -31.8846 -13.3194 -13.3194 -13.2977 -13.2977 -13.0226 -13.0226 -12.8736 -12.8736 -12.8475 -12.8475 -12.7606 -12.7606 -7.9606 -7.9606 -3.2841 -3.2841 2.6354 2.6354 3.2154 3.2154 3.4534 3.4534 6.3737 6.3737 6.6627 6.6627 7.0736 7.0736 11.0241 11.0241 11.3050 11.3050 11.3732 11.3732 12.1562 12.1562 k = 0.3003-0.5201-0.9927 ( 3318 PWs) bands (ev): -31.8944 -31.8944 -31.8853 -31.8853 -13.3183 -13.3183 -13.2990 -13.2990 -13.0248 -13.0248 -12.8725 -12.8725 -12.8486 -12.8486 -12.7615 -12.7615 -7.9573 -7.9573 -3.2823 -3.2823 2.6526 2.6526 3.1845 3.1845 3.4436 3.4436 6.3924 6.3924 6.6417 6.6417 7.0792 7.0792 11.0105 11.0105 11.3304 11.3304 11.3710 11.3710 12.1480 12.1480 k = 0.3062-0.5303-1.0122 ( 3318 PWs) bands (ev): -31.8934 -31.8934 -31.8860 -31.8860 -13.3173 -13.3173 -13.3002 -13.3002 -13.0268 -13.0268 -12.8716 -12.8716 -12.8493 -12.8493 -12.7623 -12.7623 -7.9547 -7.9547 -3.2808 -3.2808 2.6717 2.6717 3.1517 3.1517 3.4374 3.4374 6.4123 6.4123 6.6205 6.6205 7.0845 7.0845 10.9968 10.9968 11.2895 11.2895 11.4353 11.4353 12.1424 12.1424 k = 0.3121-0.5405-1.0316 ( 3326 PWs) bands (ev): -31.8925 -31.8925 -31.8867 -31.8867 -13.3164 -13.3164 -13.3012 -13.3012 -13.0284 -13.0284 -12.8710 -12.8710 -12.8497 -12.8497 -12.7629 -12.7629 -7.9526 -7.9526 -3.2796 -3.2796 2.6917 2.6917 3.1194 3.1194 3.4335 3.4335 6.4331 6.4331 6.5991 6.5991 7.0892 7.0892 10.9827 10.9827 11.2464 11.2464 11.5024 11.5024 12.1395 12.1395 k = 0.3180-0.5507-1.0511 ( 3322 PWs) bands (ev): -31.8916 -31.8916 -31.8874 -31.8874 -13.3158 -13.3158 -13.3020 -13.3020 -13.0297 -13.0297 -12.8707 -12.8707 -12.8497 -12.8497 -12.7633 -12.7633 -7.9511 -7.9511 -3.2788 -3.2788 2.7111 2.7111 3.0901 3.0901 3.4310 3.4310 6.4549 6.4549 6.5777 6.5777 7.0935 7.0935 10.9673 10.9673 11.2028 11.2028 11.5712 11.5712 12.1391 12.1391 k = 0.3238-0.5609-1.0706 ( 3318 PWs) bands (ev): -31.8907 -31.8907 -31.8882 -31.8882 -13.3153 -13.3153 -13.3027 -13.3027 -13.0307 -13.0307 -12.8707 -12.8707 -12.8494 -12.8494 -12.7635 -12.7635 -7.9502 -7.9502 -3.2783 -3.2783 2.7274 2.7274 3.0668 3.0668 3.4294 3.4294 6.4776 6.4776 6.5563 6.5563 7.0973 7.0973 10.9493 10.9493 11.1602 11.1602 11.6415 11.6415 12.1413 12.1413 k = 0.3297-0.5711-1.0900 ( 3322 PWs) bands (ev): -31.8899 -31.8899 -31.8890 -31.8890 -13.3150 -13.3150 -13.3032 -13.3032 -13.0312 -13.0312 -12.8710 -12.8710 -12.8487 -12.8487 -12.7636 -12.7636 -7.9498 -7.9498 -3.2780 -3.2780 2.7373 2.7373 3.0527 3.0527 3.4284 3.4284 6.5011 6.5011 6.5351 6.5351 7.1006 7.1006 10.9270 10.9270 11.1206 11.1206 11.7131 11.7131 12.1458 12.1458 k = 0.3356-0.5813-1.1095 ( 3322 PWs) bands (ev): -31.8897 -31.8897 -31.8891 -31.8891 -13.3150 -13.3150 -13.3035 -13.3035 -13.0314 -13.0314 -12.8715 -12.8715 -12.8478 -12.8478 -12.7634 -12.7634 -7.9498 -7.9498 -3.2780 -3.2780 2.7379 2.7379 3.0510 3.0510 3.4280 3.4280 6.5134 6.5134 6.5261 6.5261 7.1035 7.1035 10.8980 10.8980 11.0864 11.0864 11.7857 11.7857 12.1526 12.1526 k = 0.3415-0.5915-1.1290 ( 3322 PWs) bands (ev): -31.8905 -31.8905 -31.8884 -31.8884 -13.3153 -13.3153 -13.3037 -13.3037 -13.0311 -13.0311 -12.8723 -12.8723 -12.8467 -12.8467 -12.7631 -12.7631 -7.9503 -7.9503 -3.2782 -3.2782 2.7280 2.7280 3.0627 3.0627 3.4282 3.4282 6.4929 6.4929 6.5509 6.5509 7.1058 7.1058 10.8609 10.8609 11.0593 11.0593 11.8594 11.8594 12.1617 12.1617 k = 0.6585-0.4575-1.0479 ( 3322 PWs) bands (ev): -31.8905 -31.8905 -31.8884 -31.8884 -13.3153 -13.3153 -13.3037 -13.3037 -13.0311 -13.0311 -12.8723 -12.8723 -12.8467 -12.8467 -12.7631 -12.7631 -7.9503 -7.9503 -3.2782 -3.2782 2.7280 2.7280 3.0627 3.0627 3.4282 3.4282 6.4929 6.4929 6.5509 6.5509 7.1058 7.1058 10.8609 10.8609 11.0593 11.0593 11.8594 11.8594 12.1617 12.1617 k = 0.6526-0.4356-1.0479 ( 3326 PWs) bands (ev): -31.8913 -31.8913 -31.8877 -31.8877 -13.3158 -13.3158 -13.3039 -13.3039 -13.0304 -13.0304 -12.8732 -12.8732 -12.8454 -12.8454 -12.7626 -12.7626 -7.9513 -7.9513 -3.2787 -3.2787 2.7091 2.7091 3.0860 3.0860 3.4292 3.4292 6.4724 6.4724 6.5766 6.5766 7.1077 7.1077 10.8160 10.8160 11.0392 11.0392 11.9334 11.9334 12.1729 12.1729 k = 0.6468-0.4137-1.0479 ( 3326 PWs) bands (ev): -31.8920 -31.8920 -31.8871 -31.8871 -13.3165 -13.3165 -13.3041 -13.3041 -13.0293 -13.0293 -12.8742 -12.8742 -12.8440 -12.8440 -12.7619 -12.7619 -7.9526 -7.9526 -3.2793 -3.2793 2.6839 2.6839 3.1174 3.1174 3.4317 3.4317 6.4523 6.4523 6.6030 6.6030 7.1093 7.1093 10.7648 10.7648 11.0249 11.0249 12.0079 12.0079 12.1864 12.1864 k = 0.6409-0.3918-1.0479 ( 3322 PWs) bands (ev): -31.8928 -31.8928 -31.8864 -31.8864 -13.3173 -13.3173 -13.3042 -13.3042 -13.0278 -13.0278 -12.8753 -12.8753 -12.8426 -12.8426 -12.7609 -12.7609 -7.9543 -7.9543 -3.2802 -3.2802 2.6547 2.6547 3.1536 3.1536 3.4365 3.4365 6.4326 6.4326 6.6299 6.6299 7.1104 7.1104 10.7090 10.7090 11.0147 11.0147 12.0824 12.0824 12.2024 12.2024 k = 0.6350-0.3699-1.0479 ( 3322 PWs) bands (ev): -31.8935 -31.8935 -31.8859 -31.8859 -13.3183 -13.3183 -13.3044 -13.3044 -13.0258 -13.0258 -12.8765 -12.8765 -12.8411 -12.8411 -12.7599 -12.7599 -7.9563 -7.9563 -3.2812 -3.2812 2.6235 2.6235 3.1911 3.1911 3.4451 3.4451 6.4133 6.4133 6.6574 6.6574 7.1112 7.1112 10.6501 10.6501 11.0073 11.0073 12.1553 12.1553 12.2221 12.2221 k = 0.6291-0.3480-1.0479 ( 3318 PWs) bands (ev): -31.8943 -31.8943 -31.8853 -31.8853 -13.3194 -13.3194 -13.3046 -13.3046 -13.0235 -13.0235 -12.8778 -12.8778 -12.8396 -12.8396 -12.7587 -12.7587 -7.9586 -7.9586 -3.2823 -3.2823 2.5912 2.5912 3.2264 3.2264 3.4598 3.4598 6.3946 6.3946 6.6852 6.6852 7.1117 7.1117 10.5891 10.5891 11.0020 11.0020 12.2170 12.2170 12.2550 12.2550 k = 0.6233-0.3261-1.0479 ( 3318 PWs) bands (ev): -31.8950 -31.8950 -31.8848 -31.8848 -13.3207 -13.3207 -13.3048 -13.3048 -13.0208 -13.0208 -12.8791 -12.8791 -12.8381 -12.8381 -12.7573 -12.7573 -7.9612 -7.9612 -3.2836 -3.2836 2.5587 2.5587 3.2561 3.2561 3.4830 3.4830 6.3764 6.3764 6.7135 6.7135 7.1119 7.1119 10.5266 10.5266 10.9981 10.9981 12.2500 12.2500 12.3183 12.3183 k = 0.6174-0.3042-1.0479 ( 3314 PWs) bands (ev): -31.8958 -31.8958 -31.8843 -31.8843 -13.3220 -13.3220 -13.3052 -13.3052 -13.0178 -13.0178 -12.8805 -12.8805 -12.8366 -12.8366 -12.7558 -12.7558 -7.9639 -7.9639 -3.2849 -3.2849 2.5265 2.5265 3.2778 3.2778 3.5165 3.5165 6.3588 6.3588 6.7419 6.7419 7.1118 7.1118 10.4633 10.4633 10.9954 10.9954 12.2752 12.2752 12.3910 12.3910 k = 0.6115-0.2823-1.0479 ( 3308 PWs) bands (ev): -31.8965 -31.8965 -31.8839 -31.8839 -13.3234 -13.3234 -13.3056 -13.3056 -13.0145 -13.0145 -12.8819 -12.8819 -12.8351 -12.8351 -12.7541 -12.7541 -7.9669 -7.9669 -3.2864 -3.2864 2.4949 2.4949 3.2916 3.2916 3.5595 3.5595 6.3418 6.3418 6.7706 6.7706 7.1116 7.1116 10.3996 10.3996 10.9934 10.9934 12.3006 12.3006 12.4646 12.4646 k = 0.6057-0.2604-1.0479 ( 3306 PWs) bands (ev): -31.8972 -31.8972 -31.8835 -31.8835 -13.3249 -13.3249 -13.3060 -13.3060 -13.0109 -13.0109 -12.8834 -12.8834 -12.8337 -12.8337 -12.7524 -12.7524 -7.9699 -7.9699 -3.2879 -3.2879 2.4642 2.4642 3.2992 3.2992 3.6098 3.6098 6.3255 6.3255 6.7994 6.7994 7.1112 7.1112 10.3359 10.3359 10.9921 10.9921 12.3276 12.3276 12.5376 12.5376 k = 0.5998-0.2385-1.0479 ( 3310 PWs) bands (ev): -31.8978 -31.8978 -31.8831 -31.8831 -13.3265 -13.3265 -13.3066 -13.3066 -13.0071 -13.0071 -12.8850 -12.8850 -12.8323 -12.8323 -12.7506 -12.7506 -7.9730 -7.9730 -3.2895 -3.2895 2.4346 2.4346 3.3024 3.3024 3.6652 3.6652 6.3099 6.3099 6.8282 6.8282 7.1106 7.1106 10.2723 10.2723 10.9911 10.9911 12.3562 12.3562 12.6091 12.6091 k = 0.5939-0.2166-1.0479 ( 3316 PWs) bands (ev): -31.8985 -31.8985 -31.8827 -31.8827 -13.3281 -13.3281 -13.3072 -13.3072 -13.0031 -13.0031 -12.8865 -12.8865 -12.8310 -12.8310 -12.7487 -12.7487 -7.9762 -7.9762 -3.2910 -3.2910 2.4062 2.4062 3.3029 3.3029 3.7237 3.7237 6.2950 6.2950 6.8568 6.8568 7.1099 7.1099 10.2092 10.2092 10.9904 10.9904 12.3867 12.3867 12.6293 12.6293 k = 0.5881-0.1946-1.0479 ( 3318 PWs) bands (ev): -31.8991 -31.8991 -31.8824 -31.8824 -13.3297 -13.3297 -13.3077 -13.3077 -12.9990 -12.9990 -12.8881 -12.8881 -12.8298 -12.8298 -12.7468 -12.7468 -7.9795 -7.9795 -3.2926 -3.2926 2.3791 2.3791 3.3016 3.3016 3.7838 3.7838 6.2809 6.2809 6.8852 6.8852 7.1092 7.1092 10.1470 10.1470 10.9899 10.9899 12.4191 12.4191 12.5786 12.5786 k = 0.5822-0.1727-1.0479 ( 3320 PWs) bands (ev): -31.8997 -31.8997 -31.8821 -31.8821 -13.3313 -13.3313 -13.3083 -13.3083 -12.9948 -12.9948 -12.8897 -12.8897 -12.8287 -12.8287 -12.7449 -12.7449 -7.9826 -7.9826 -3.2942 -3.2942 2.3534 2.3534 3.2991 3.2991 3.8445 3.8445 6.2675 6.2675 6.9132 6.9132 7.1083 7.1083 10.0859 10.0859 10.9893 10.9893 12.4534 12.4534 12.5255 12.5255 k = 0.5763-0.1508-1.0479 ( 3318 PWs) bands (ev): -31.9002 -31.9002 -31.8818 -31.8818 -13.3329 -13.3329 -13.3090 -13.3090 -12.9905 -12.9905 -12.8913 -12.8913 -12.8277 -12.8277 -12.7430 -12.7430 -7.9858 -7.9858 -3.2957 -3.2957 2.3292 2.3292 3.2958 3.2958 3.9048 3.9048 6.2550 6.2550 6.9408 6.9408 7.1075 7.1075 10.0262 10.0262 10.9887 10.9887 12.4699 12.4699 12.4912 12.4912 k = 0.5704-0.1289-1.0479 ( 3320 PWs) bands (ev): -31.9008 -31.9008 -31.8816 -31.8816 -13.3345 -13.3345 -13.3096 -13.3096 -12.9861 -12.9861 -12.8929 -12.8929 -12.8268 -12.8268 -12.7411 -12.7411 -7.9888 -7.9888 -3.2972 -3.2972 2.3067 2.3067 3.2922 3.2922 3.9641 3.9641 6.2433 6.2433 6.9676 6.9676 7.1066 7.1066 9.9682 9.9682 10.9878 10.9878 12.4166 12.4166 12.5286 12.5286 k = 0.5646-0.1070-1.0479 ( 3318 PWs) bands (ev): -31.9012 -31.9012 -31.8813 -31.8813 -13.3360 -13.3360 -13.3102 -13.3102 -12.9819 -12.9819 -12.8945 -12.8945 -12.8260 -12.8260 -12.7392 -12.7392 -7.9918 -7.9918 -3.2987 -3.2987 2.2857 2.2857 3.2883 3.2883 4.0216 4.0216 6.2324 6.2324 6.9936 6.9936 7.1058 7.1058 9.9122 9.9122 10.9868 10.9868 12.3635 12.3635 12.5687 12.5687 k = 0.5587-0.0851-1.0479 ( 3312 PWs) bands (ev): -31.9017 -31.9017 -31.8811 -31.8811 -13.3375 -13.3375 -13.3107 -13.3107 -12.9777 -12.9777 -12.8961 -12.8961 -12.8252 -12.8252 -12.7374 -12.7374 -7.9946 -7.9946 -3.3000 -3.3000 2.2664 2.2664 3.2843 3.2843 4.0768 4.0768 6.2225 6.2225 7.0185 7.0185 7.1050 7.1050 9.8588 9.8588 10.9855 10.9855 12.3122 12.3122 12.6108 12.6108 k = 0.5528-0.0632-1.0479 ( 3308 PWs) bands (ev): -31.9021 -31.9021 -31.8810 -31.8810 -13.3388 -13.3388 -13.3113 -13.3113 -12.9736 -12.9736 -12.8977 -12.8977 -12.8246 -12.8246 -12.7357 -12.7357 -7.9972 -7.9972 -3.3013 -3.3013 2.2488 2.2488 3.2804 3.2804 4.1289 4.1289 6.2134 6.2134 7.0421 7.0421 7.1044 7.1044 9.8082 9.8082 10.9840 10.9840 12.2636 12.2636 12.6546 12.6546 k = 0.5470-0.0413-1.0479 ( 3304 PWs) bands (ev): -31.9025 -31.9025 -31.8808 -31.8808 -13.3401 -13.3401 -13.3118 -13.3118 -12.9698 -12.9698 -12.8992 -12.8992 -12.8241 -12.8241 -12.7341 -12.7341 -7.9996 -7.9996 -3.3025 -3.3025 2.2330 2.2330 3.2767 3.2767 4.1774 4.1774 6.2053 6.2053 7.0641 7.0641 7.1040 7.1040 9.7610 9.7610 10.9822 10.9822 12.2185 12.2185 12.7000 12.7000 k = 0.5411-0.0194-1.0479 ( 3314 PWs) bands (ev): -31.9028 -31.9028 -31.8807 -31.8807 -13.3412 -13.3412 -13.3123 -13.3123 -12.9662 -12.9662 -12.9007 -12.9007 -12.8237 -12.8237 -12.7327 -12.7327 -8.0017 -8.0017 -3.3036 -3.3036 2.2189 2.2189 3.2733 3.2733 4.2217 4.2217 6.1980 6.1980 7.0835 7.0835 7.1044 7.1044 9.7176 9.7176 10.9801 10.9801 12.1775 12.1775 12.7469 12.7469 k = 0.5352 0.0025-1.0479 ( 3316 PWs) bands (ev): -31.9031 -31.9031 -31.8806 -31.8806 -13.3423 -13.3423 -13.3127 -13.3127 -12.9628 -12.9628 -12.9021 -12.9021 -12.8233 -12.8233 -12.7314 -12.7314 -8.0037 -8.0037 -3.3045 -3.3045 2.2067 2.2067 3.2701 3.2701 4.2614 4.2614 6.1918 6.1918 7.0965 7.0965 7.1093 7.1093 9.6785 9.6785 10.9781 10.9781 12.1412 12.1412 12.7950 12.7950 k = 0.5294 0.0244-1.0479 ( 3310 PWs) bands (ev): -31.9034 -31.9034 -31.8805 -31.8805 -13.3431 -13.3431 -13.3130 -13.3130 -12.9598 -12.9598 -12.9034 -12.9034 -12.8230 -12.8230 -12.7303 -12.7303 -8.0053 -8.0053 -3.3053 -3.3053 2.1963 2.1963 3.2674 3.2674 4.2959 4.2959 6.1864 6.1864 7.0993 7.0993 7.1223 7.1223 9.6444 9.6444 10.9760 10.9760 12.1099 12.1099 12.8440 12.8440 k = 0.5235 0.0463-1.0479 ( 3314 PWs) bands (ev): -31.9036 -31.9036 -31.8804 -31.8804 -13.3439 -13.3439 -13.3134 -13.3134 -12.9572 -12.9572 -12.9046 -12.9046 -12.8228 -12.8228 -12.7293 -12.7293 -8.0067 -8.0067 -3.3060 -3.3060 2.1878 2.1878 3.2651 3.2651 4.3247 4.3247 6.1820 6.1820 7.0995 7.0995 7.1354 7.1354 9.6156 9.6156 10.9741 10.9741 12.0840 12.0840 12.8934 12.8934 k = 0.5176 0.0682-1.0479 ( 3312 PWs) bands (ev): -31.9037 -31.9037 -31.8803 -31.8803 -13.3444 -13.3444 -13.3136 -13.3136 -12.9551 -12.9551 -12.9056 -12.9056 -12.8226 -12.8226 -12.7286 -12.7286 -8.0078 -8.0078 -3.3065 -3.3065 2.1812 2.1812 3.2633 3.2633 4.3476 4.3476 6.1786 6.1786 7.0994 7.0994 7.1462 7.1462 9.5927 9.5927 10.9724 10.9724 12.0637 12.0637 12.9429 12.9429 k = 0.5117 0.0902-1.0479 ( 3316 PWs) bands (ev): -31.9039 -31.9039 -31.8803 -31.8803 -13.3449 -13.3449 -13.3138 -13.3138 -12.9535 -12.9535 -12.9064 -12.9064 -12.8225 -12.8225 -12.7281 -12.7281 -8.0086 -8.0086 -3.3069 -3.3069 2.1764 2.1764 3.2620 3.2620 4.3641 4.3641 6.1762 6.1762 7.0993 7.0993 7.1541 7.1541 9.5760 9.5760 10.9711 10.9711 12.0490 12.0490 12.9915 12.9916 k = 0.5059 0.1121-1.0479 ( 3314 PWs) bands (ev): -31.9039 -31.9039 -31.8802 -31.8802 -13.3451 -13.3451 -13.3139 -13.3139 -12.9525 -12.9525 -12.9069 -12.9069 -12.8224 -12.8224 -12.7277 -12.7277 -8.0091 -8.0091 -3.3072 -3.3072 2.1736 2.1736 3.2612 3.2612 4.3741 4.3741 6.1747 6.1747 7.0992 7.0992 7.1589 7.1589 9.5658 9.5658 10.9703 10.9703 12.0402 12.0402 13.0384 13.0384 k = 0.5000 0.1340-1.0479 ( 3312 PWs) bands (ev): -31.9039 -31.9039 -31.8802 -31.8802 -13.3452 -13.3452 -13.3139 -13.3139 -12.9522 -12.9522 -12.9070 -12.9070 -12.8224 -12.8224 -12.7276 -12.7276 -8.0092 -8.0092 -3.3072 -3.3072 2.1726 2.1726 3.2609 3.2609 4.3775 4.3775 6.1742 6.1742 7.0991 7.0991 7.1605 7.1605 9.5624 9.5624 10.9700 10.9700 12.0373 12.0373 13.0810 13.0810 k = 0.5000 0.1340-1.0479 ( 3312 PWs) bands (ev): -31.9039 -31.9039 -31.8802 -31.8802 -13.3452 -13.3452 -13.3139 -13.3139 -12.9522 -12.9522 -12.9070 -12.9070 -12.8224 -12.8224 -12.7276 -12.7276 -8.0092 -8.0092 -3.3072 -3.3072 2.1726 2.1726 3.2609 3.2609 4.3775 4.3775 6.1742 6.1742 7.0991 7.0991 7.1605 7.1605 9.5624 9.5624 10.9700 10.9700 12.0373 12.0373 13.0810 13.0810 k = 0.5176 0.1387-1.0389 ( 3316 PWs) bands (ev): -31.9040 -31.9040 -31.8802 -31.8802 -13.3452 -13.3452 -13.3139 -13.3139 -12.9522 -12.9522 -12.9071 -12.9071 -12.8224 -12.8224 -12.7276 -12.7276 -8.0092 -8.0092 -3.3073 -3.3073 2.1730 2.1730 3.2609 3.2609 4.3776 4.3776 6.1735 6.1735 7.0987 7.0987 7.1604 7.1604 9.5637 9.5637 10.9716 10.9716 12.0365 12.0365 13.0796 13.0797 k = 0.5352 0.1434-1.0299 ( 3317 PWs) bands (ev): -31.9040 -31.9040 -31.8802 -31.8802 -13.3451 -13.3451 -13.3138 -13.3138 -12.9522 -12.9522 -12.9071 -12.9071 -12.8225 -12.8225 -12.7277 -12.7277 -8.0093 -8.0093 -3.3074 -3.3074 2.1741 2.1741 3.2608 3.2608 4.3778 4.3778 6.1713 6.1713 7.0973 7.0973 7.1602 7.1602 9.5677 9.5677 10.9763 10.9763 12.0341 12.0341 13.0750 13.0751 k = 0.5528 0.1481-1.0209 ( 3318 PWs) bands (ev): -31.9040 -31.9040 -31.8802 -31.8802 -13.3449 -13.3449 -13.3136 -13.3136 -12.9522 -12.9522 -12.9071 -12.9071 -12.8226 -12.8226 -12.7278 -12.7278 -8.0094 -8.0094 -3.3075 -3.3075 2.1758 2.1758 3.2606 3.2606 4.3782 4.3782 6.1676 6.1676 7.0951 7.0951 7.1598 7.1598 9.5744 9.5744 10.9841 10.9841 12.0303 12.0303 13.0661 13.0662 k = 0.5704 0.1528-1.0119 ( 3318 PWs) bands (ev): -31.9040 -31.9040 -31.8802 -31.8802 -13.3447 -13.3447 -13.3134 -13.3134 -12.9522 -12.9522 -12.9072 -12.9072 -12.8227 -12.8227 -12.7279 -12.7279 -8.0095 -8.0095 -3.3077 -3.3077 2.1783 2.1783 3.2605 3.2605 4.3787 4.3787 6.1626 6.1626 7.0921 7.0921 7.1593 7.1593 9.5836 9.5836 10.9949 10.9949 12.0253 12.0253 13.0508 13.0518 k = 0.5881 0.1576-1.0029 ( 3320 PWs) bands (ev): -31.9041 -31.9041 -31.8802 -31.8802 -13.3445 -13.3445 -13.3131 -13.3131 -12.9522 -12.9522 -12.9073 -12.9073 -12.8229 -12.8229 -12.7280 -12.7280 -8.0097 -8.0097 -3.3080 -3.3080 2.1814 2.1814 3.2602 3.2602 4.3793 4.3793 6.1562 6.1562 7.0883 7.0883 7.1586 7.1586 9.5953 9.5953 11.0084 11.0084 12.0195 12.0195 13.0316 13.0322 k = 0.6057 0.1623-0.9939 ( 3313 PWs) bands (ev): -31.9041 -31.9041 -31.8802 -31.8802 -13.3441 -13.3441 -13.3127 -13.3127 -12.9521 -12.9521 -12.9073 -12.9073 -12.8231 -12.8231 -12.7282 -12.7282 -8.0098 -8.0098 -3.3084 -3.3084 2.1852 2.1852 3.2600 3.2600 4.3801 4.3801 6.1487 6.1487 7.0837 7.0837 7.1578 7.1578 9.6095 9.6095 11.0244 11.0244 12.0131 12.0131 13.0051 13.0051 k = 0.6233 0.1670-0.9849 ( 3313 PWs) bands (ev): -31.9042 -31.9042 -31.8802 -31.8802 -13.3438 -13.3438 -13.3123 -13.3123 -12.9521 -12.9521 -12.9074 -12.9074 -12.8233 -12.8233 -12.7284 -12.7284 -8.0101 -8.0101 -3.3088 -3.3088 2.1896 2.1896 3.2597 3.2597 4.3811 4.3811 6.1400 6.1400 7.0785 7.0785 7.1568 7.1568 9.6262 9.6262 11.0427 11.0427 12.0064 12.0064 12.9706 12.9706 k = 0.6409 0.1717-0.9759 ( 3315 PWs) bands (ev): -31.9042 -31.9042 -31.8801 -31.8801 -13.3434 -13.3434 -13.3118 -13.3118 -12.9521 -12.9521 -12.9075 -12.9075 -12.8236 -12.8236 -12.7286 -12.7286 -8.0104 -8.0104 -3.3092 -3.3092 2.1945 2.1945 3.2594 3.2594 4.3822 4.3822 6.1303 6.1303 7.0726 7.0726 7.1558 7.1558 9.6451 9.6451 11.0630 11.0630 11.9999 11.9999 12.9295 12.9295 k = 0.6585 0.1764-0.9669 ( 3307 PWs) bands (ev): -31.9043 -31.9043 -31.8801 -31.8801 -13.3429 -13.3429 -13.3113 -13.3113 -12.9521 -12.9521 -12.9076 -12.9076 -12.8239 -12.8239 -12.7287 -12.7287 -8.0107 -8.0107 -3.3097 -3.3097 2.2000 2.2000 3.2591 3.2591 4.3833 4.3833 6.1197 6.1197 7.0663 7.0663 7.1546 7.1546 9.6663 9.6663 11.0848 11.0848 11.9938 11.9938 12.8829 12.8829 k = 0.6585 0.1764-0.9669 ( 3307 PWs) bands (ev): -31.9043 -31.9043 -31.8801 -31.8801 -13.3429 -13.3429 -13.3113 -13.3113 -12.9521 -12.9521 -12.9076 -12.9076 -12.8239 -12.8239 -12.7287 -12.7287 -8.0107 -8.0107 -3.3097 -3.3097 2.2000 2.2000 3.2591 3.2591 4.3833 4.3833 6.1197 6.1197 7.0663 7.0663 7.1546 7.1546 9.6663 9.6663 11.0848 11.0848 11.9938 11.9938 12.8829 12.8829 k = 0.6551 0.1755-0.9446 ( 3305 PWs) bands (ev): -31.9047 -31.9047 -31.8800 -31.8800 -13.3432 -13.3432 -13.3097 -13.3097 -12.9521 -12.9521 -12.9073 -12.9073 -12.8229 -12.8229 -12.7286 -12.7286 -8.0133 -8.0133 -3.3110 -3.3110 2.2123 2.2123 3.2521 3.2521 4.3862 4.3862 6.1310 6.1310 7.0631 7.0631 7.1554 7.1554 9.6595 9.6595 11.0891 11.0891 11.9880 11.9880 12.9036 12.9036 k = 0.6517 0.1746-0.9223 ( 3307 PWs) bands (ev): -31.9052 -31.9052 -31.8798 -31.8798 -13.3433 -13.3433 -13.3078 -13.3078 -12.9520 -12.9520 -12.9070 -12.9070 -12.8218 -12.8218 -12.7284 -12.7284 -8.0169 -8.0169 -3.3128 -3.3128 2.2287 2.2287 3.2441 3.2441 4.3903 4.3903 6.1437 6.1437 7.0580 7.0580 7.1559 7.1559 9.6560 9.6560 11.0926 11.0926 11.9840 11.9840 12.8923 12.8964 k = 0.6484 0.1737-0.9000 ( 3308 PWs) bands (ev): -31.9059 -31.9059 -31.8796 -31.8796 -13.3435 -13.3435 -13.3054 -13.3054 -12.9520 -12.9520 -12.9064 -12.9064 -12.8205 -12.8205 -12.7281 -12.7281 -8.0212 -8.0212 -3.3151 -3.3151 2.2493 2.2493 3.2350 3.2350 4.3954 4.3954 6.1576 6.1576 7.0508 7.0508 7.1562 7.1562 9.6558 9.6558 11.0952 11.0952 11.9819 11.9819 12.8546 12.8546 k = 0.6450 0.1728-0.8777 ( 3307 PWs) bands (ev): -31.9066 -31.9066 -31.8793 -31.8793 -13.3435 -13.3435 -13.3026 -13.3026 -12.9519 -12.9519 -12.9057 -12.9057 -12.8190 -12.8190 -12.7278 -12.7278 -8.0264 -8.0264 -3.3179 -3.3179 2.2739 2.2739 3.2249 3.2249 4.4016 4.4016 6.1729 6.1729 7.0414 7.0414 7.1563 7.1563 9.6589 9.6589 11.0971 11.0971 11.9817 11.9817 12.8169 12.8170 k = 0.6416 0.1719-0.8554 ( 3303 PWs) bands (ev): -31.9075 -31.9075 -31.8790 -31.8790 -13.3435 -13.3435 -13.2995 -13.2995 -12.9518 -12.9518 -12.9048 -12.9048 -12.8174 -12.8174 -12.7274 -12.7274 -8.0324 -8.0324 -3.3212 -3.3212 2.3024 2.3024 3.2141 3.2141 4.4090 4.4090 6.1893 6.1893 7.0299 7.0299 7.1562 7.1562 9.6655 9.6655 11.0985 11.0985 11.9831 11.9831 12.7795 12.7795 k = 0.6383 0.1710-0.8331 ( 3310 PWs) bands (ev): -31.9084 -31.9084 -31.8788 -31.8788 -13.3435 -13.3435 -13.2961 -13.2961 -12.9518 -12.9518 -12.9038 -12.9038 -12.8157 -12.8157 -12.7269 -12.7269 -8.0392 -8.0392 -3.3250 -3.3250 2.3347 2.3347 3.2026 3.2026 4.4174 4.4174 6.2070 6.2070 7.0161 7.0161 7.1558 7.1558 9.6755 9.6755 11.0996 11.0996 11.9859 11.9859 12.7424 12.7424 k = 0.6349 0.1701-0.8108 ( 3306 PWs) bands (ev): -31.9094 -31.9094 -31.8785 -31.8785 -13.3434 -13.3434 -13.2922 -13.2922 -12.9517 -12.9517 -12.9025 -12.9025 -12.8137 -12.8137 -12.7264 -12.7264 -8.0466 -8.0466 -3.3293 -3.3293 2.3707 2.3707 3.1905 3.1905 4.4268 4.4268 6.2258 6.2258 7.0002 7.0002 7.1551 7.1551 9.6890 9.6890 11.1008 11.1008 11.9901 11.9901 12.7056 12.7056 k = 0.6315 0.1692-0.7885 ( 3309 PWs) bands (ev): -31.9105 -31.9105 -31.8782 -31.8782 -13.3433 -13.3433 -13.2880 -13.2880 -12.9516 -12.9516 -12.9011 -12.9011 -12.8117 -12.8117 -12.7259 -12.7259 -8.0548 -8.0548 -3.3341 -3.3341 2.4102 2.4102 3.1780 3.1780 4.4374 4.4374 6.2456 6.2456 6.9822 6.9822 7.1542 7.1542 9.7059 9.7059 11.1025 11.1025 11.9953 11.9953 12.6694 12.6694 k = 0.6281 0.1683-0.7662 ( 3302 PWs) bands (ev): -31.9117 -31.9117 -31.8779 -31.8779 -13.3431 -13.3431 -13.2835 -13.2835 -12.9515 -12.9515 -12.8995 -12.8995 -12.8095 -12.8095 -12.7253 -12.7253 -8.0636 -8.0636 -3.3393 -3.3393 2.4531 2.4531 3.1654 3.1654 4.4489 4.4489 6.2664 6.2664 6.9620 6.9620 7.1531 7.1531 9.7262 9.7262 11.1049 11.1049 12.0014 12.0014 12.6336 12.6336 k = 0.6248 0.1674-0.7439 ( 3299 PWs) bands (ev): -31.9129 -31.9129 -31.8777 -31.8777 -13.3430 -13.3430 -13.2787 -13.2787 -12.9513 -12.9513 -12.8976 -12.8976 -12.8072 -12.8072 -12.7247 -12.7247 -8.0730 -8.0730 -3.3450 -3.3450 2.4990 2.4990 3.1529 3.1529 4.4615 4.4615 6.2880 6.2880 6.9397 6.9397 7.1517 7.1517 9.7499 9.7499 11.1084 11.1084 12.0081 12.0081 12.5983 12.5983 k = 0.6214 0.1665-0.7216 ( 3303 PWs) bands (ev): -31.9141 -31.9141 -31.8774 -31.8774 -13.3429 -13.3429 -13.2736 -13.2736 -12.9511 -12.9511 -12.8956 -12.8956 -12.8047 -12.8047 -12.7241 -12.7241 -8.0830 -8.0830 -3.3511 -3.3511 2.5476 2.5476 3.1408 3.1408 4.4750 4.4750 6.3104 6.3104 6.9156 6.9156 7.1500 7.1500 9.7770 9.7770 11.1132 11.1132 12.0152 12.0152 12.5636 12.5636 k = 0.6180 0.1656-0.6993 ( 3295 PWs) bands (ev): -31.9154 -31.9154 -31.8772 -31.8772 -13.3427 -13.3427 -13.2683 -13.2683 -12.9509 -12.9509 -12.8934 -12.8934 -12.8021 -12.8021 -12.7235 -12.7235 -8.0935 -8.0935 -3.3576 -3.3576 2.5985 2.5985 3.1296 3.1296 4.4894 4.4894 6.3335 6.3335 6.8896 6.8896 7.1480 7.1480 9.8074 9.8074 11.1199 11.1199 12.0227 12.0227 12.5296 12.5297 k = 0.6147 0.1647-0.6770 ( 3299 PWs) bands (ev): -31.9167 -31.9167 -31.8769 -31.8769 -13.3427 -13.3427 -13.2627 -13.2627 -12.9506 -12.9506 -12.8910 -12.8910 -12.7995 -12.7995 -12.7228 -12.7228 -8.1045 -8.1045 -3.3645 -3.3645 2.6510 2.6510 3.1198 3.1198 4.5047 4.5047 6.3570 6.3570 6.8620 6.8620 7.1458 7.1458 9.8410 9.8410 11.1284 11.1284 12.0303 12.0303 12.4963 12.4964 k = 0.6113 0.1638-0.6547 ( 3295 PWs) bands (ev): -31.9181 -31.9181 -31.8767 -31.8767 -13.3426 -13.3426 -13.2569 -13.2569 -12.9502 -12.9502 -12.8885 -12.8885 -12.7967 -12.7967 -12.7222 -12.7222 -8.1159 -8.1159 -3.3718 -3.3718 2.7040 2.7040 3.1126 3.1126 4.5208 4.5208 6.3807 6.3807 6.8331 6.8331 7.1433 7.1433 9.8777 9.8777 11.1392 11.1392 12.0381 12.0381 12.4638 12.4638 k = 0.6079 0.1629-0.6324 ( 3292 PWs) bands (ev): -31.9194 -31.9194 -31.8766 -31.8766 -13.3426 -13.3426 -13.2510 -13.2510 -12.9498 -12.9498 -12.8857 -12.8857 -12.7937 -12.7937 -12.7215 -12.7215 -8.1276 -8.1276 -3.3795 -3.3795 2.7560 2.7560 3.1094 3.1094 4.5378 4.5378 6.4045 6.4045 6.8030 6.8030 7.1405 7.1405 9.9174 9.9174 11.1524 11.1524 12.0458 12.0458 12.4321 12.4321 k = 0.6045 0.1620-0.6101 ( 3291 PWs) bands (ev): -31.9208 -31.9208 -31.8764 -31.8764 -13.3426 -13.3426 -13.2449 -13.2449 -12.9493 -12.9493 -12.8828 -12.8828 -12.7907 -12.7907 -12.7209 -12.7209 -8.1397 -8.1397 -3.3874 -3.3874 2.8042 2.8042 3.1130 3.1130 4.5555 4.5555 6.4278 6.4278 6.7724 6.7724 7.1374 7.1374 9.9601 9.9601 11.1682 11.1682 12.0536 12.0536 12.4011 12.4011 k = 0.6012 0.1611-0.5878 ( 3291 PWs) bands (ev): -31.9222 -31.9222 -31.8763 -31.8763 -13.3427 -13.3427 -13.2387 -13.2387 -12.9488 -12.9488 -12.8797 -12.8797 -12.7876 -12.7876 -12.7203 -12.7203 -8.1520 -8.1520 -3.3957 -3.3957 2.8448 2.8448 3.1269 3.1269 4.5739 4.5739 6.4501 6.4501 6.7418 6.7418 7.1341 7.1341 10.0055 10.0055 11.1867 11.1867 12.0614 12.0614 12.3709 12.3709 k = 0.5978 0.1602-0.5655 ( 3295 PWs) bands (ev): -31.9236 -31.9236 -31.8762 -31.8762 -13.3429 -13.3429 -13.2324 -13.2324 -12.9482 -12.9482 -12.8764 -12.8764 -12.7844 -12.7844 -12.7197 -12.7197 -8.1645 -8.1645 -3.4043 -3.4043 2.8743 2.8743 3.1548 3.1548 4.5929 4.5929 6.4701 6.4701 6.7126 6.7126 7.1305 7.1305 10.0536 10.0536 11.2078 11.2078 12.0691 12.0691 12.3416 12.3416 k = 0.5944 0.1593-0.5432 ( 3293 PWs) bands (ev): -31.9250 -31.9250 -31.8761 -31.8761 -13.3431 -13.3431 -13.2260 -13.2260 -12.9475 -12.9475 -12.8730 -12.8730 -12.7811 -12.7811 -12.7191 -12.7191 -8.1772 -8.1772 -3.4131 -3.4131 2.8913 2.8913 3.1978 3.1978 4.6125 4.6125 6.4860 6.4860 6.6867 6.6867 7.1267 7.1267 10.1041 10.1041 11.2317 11.2317 12.0769 12.0769 12.3131 12.3131 k = 0.5910 0.1584-0.5209 ( 3302 PWs) bands (ev): -31.9264 -31.9264 -31.8760 -31.8760 -13.3434 -13.3434 -13.2196 -13.2196 -12.9468 -12.9468 -12.8695 -12.8695 -12.7779 -12.7779 -12.7185 -12.7185 -8.1900 -8.1900 -3.4222 -3.4222 2.8982 2.8982 3.2534 3.2534 4.6327 4.6327 6.4941 6.4941 6.6679 6.6679 7.1226 7.1226 10.1570 10.1570 11.2584 11.2584 12.0848 12.0848 12.2855 12.2855 k = 0.5877 0.1575-0.4986 ( 3300 PWs) bands (ev): -31.9278 -31.9278 -31.8760 -31.8760 -13.3437 -13.3437 -13.2132 -13.2132 -12.9460 -12.9460 -12.8658 -12.8658 -12.7745 -12.7745 -12.7180 -12.7180 -8.2028 -8.2028 -3.4314 -3.4314 2.8985 2.8985 3.3180 3.3180 4.6533 4.6533 6.4904 6.4904 6.6602 6.6602 7.1183 7.1183 10.2120 10.2120 11.2877 11.2877 12.0927 12.0927 12.2588 12.2588 k = 0.5843 0.1566-0.4763 ( 3300 PWs) bands (ev): -31.9292 -31.9292 -31.8760 -31.8760 -13.3441 -13.3441 -13.2068 -13.2068 -12.9451 -12.9451 -12.8620 -12.8620 -12.7711 -12.7711 -12.7174 -12.7174 -8.2156 -8.2156 -3.4409 -3.4409 2.8947 2.8947 3.3888 3.3888 4.6743 4.6743 6.4739 6.4739 6.6647 6.6647 7.1139 7.1139 10.2690 10.2690 11.3196 11.3196 12.1008 12.1008 12.2330 12.2330 k = 0.5809 0.1557-0.4541 ( 3300 PWs) bands (ev): -31.9306 -31.9306 -31.8759 -31.8759 -13.3446 -13.3446 -13.2005 -13.2005 -12.9442 -12.9442 -12.8580 -12.8580 -12.7677 -12.7677 -12.7169 -12.7169 -8.2284 -8.2284 -3.4504 -3.4504 2.8888 2.8888 3.4639 3.4639 4.6956 4.6956 6.4480 6.4480 6.6781 6.6781 7.1092 7.1092 10.3278 10.3278 11.3539 11.3539 12.1091 12.1091 12.2081 12.2081 k = 0.5776 0.1548-0.4318 ( 3306 PWs) bands (ev): -31.9319 -31.9319 -31.8760 -31.8760 -13.3451 -13.3451 -13.1943 -13.1943 -12.9432 -12.9432 -12.8540 -12.8540 -12.7644 -12.7644 -12.7164 -12.7164 -8.2410 -8.2410 -3.4600 -3.4600 2.8816 2.8816 3.5419 3.5419 4.7173 4.7173 6.4165 6.4165 6.6965 6.6965 7.1044 7.1044 10.3881 10.3881 11.3903 11.3903 12.1175 12.1175 12.1841 12.1841 k = 0.5742 0.1539-0.4095 ( 3304 PWs) bands (ev): -31.9332 -31.9332 -31.8760 -31.8760 -13.3457 -13.3457 -13.1881 -13.1881 -12.9422 -12.9422 -12.8499 -12.8499 -12.7611 -12.7611 -12.7158 -12.7158 -8.2535 -8.2535 -3.4697 -3.4697 2.8739 2.8739 3.6221 3.6221 4.7391 4.7391 6.3822 6.3822 6.7176 6.7176 7.0995 7.0995 10.4496 10.4496 11.4288 11.4288 12.1261 12.1261 12.1611 12.1611 k = 0.5708 0.1529-0.3872 ( 3304 PWs) bands (ev): -31.9345 -31.9345 -31.8760 -31.8760 -13.3463 -13.3463 -13.1821 -13.1821 -12.9412 -12.9412 -12.8456 -12.8456 -12.7579 -12.7579 -12.7152 -12.7152 -8.2658 -8.2658 -3.4794 -3.4794 2.8660 2.8660 3.7037 3.7037 4.7611 4.7611 6.3464 6.3464 6.7398 6.7398 7.0945 7.0945 10.5121 10.5121 11.4688 11.4688 12.1330 12.1330 12.1409 12.1409 k = 0.5674 0.1520-0.3649 ( 3303 PWs) bands (ev): -31.9358 -31.9358 -31.8761 -31.8761 -13.3470 -13.3470 -13.1762 -13.1762 -12.9401 -12.9401 -12.8413 -12.8413 -12.7548 -12.7548 -12.7146 -12.7146 -8.2779 -8.2779 -3.4890 -3.4890 2.8582 2.8582 3.7862 3.7862 4.7832 4.7832 6.3099 6.3099 6.7625 6.7625 7.0894 7.0894 10.5753 10.5753 11.5101 11.5101 12.1167 12.1167 12.1451 12.1451 k = 0.5641 0.1511-0.3426 ( 3299 PWs) bands (ev): -31.9370 -31.9370 -31.8761 -31.8761 -13.3477 -13.3477 -13.1706 -13.1706 -12.9390 -12.9390 -12.8370 -12.8370 -12.7519 -12.7519 -12.7138 -12.7138 -8.2896 -8.2896 -3.4985 -3.4985 2.8507 2.8507 3.8691 3.8691 4.8054 4.8054 6.2732 6.2732 6.7851 6.7851 7.0843 7.0843 10.6387 10.6387 11.5519 11.5519 12.0966 12.0966 12.1540 12.1540 k = 0.5607 0.1502-0.3203 ( 3295 PWs) bands (ev): -31.9382 -31.9382 -31.8762 -31.8762 -13.3484 -13.3484 -13.1651 -13.1651 -12.9380 -12.9380 -12.8325 -12.8325 -12.7493 -12.7493 -12.7130 -12.7130 -8.3010 -8.3010 -3.5080 -3.5080 2.8435 2.8435 3.9520 3.9520 4.8276 4.8276 6.2369 6.2369 6.8074 6.8074 7.0791 7.0791 10.7018 10.7018 11.5936 11.5936 12.0773 12.0773 12.1627 12.1627 k = 0.5573 0.1493-0.2980 ( 3298 PWs) bands (ev): -31.9393 -31.9393 -31.8763 -31.8763 -13.3492 -13.3492 -13.1598 -13.1598 -12.9369 -12.9369 -12.8281 -12.8281 -12.7470 -12.7470 -12.7119 -12.7119 -8.3120 -8.3120 -3.5172 -3.5172 2.8367 2.8367 4.0343 4.0343 4.8497 4.8497 6.2010 6.2010 6.8291 6.8291 7.0740 7.0740 10.7641 10.7641 11.6343 11.6343 12.0589 12.0589 12.1696 12.1696 k = 0.5540 0.1484-0.2757 ( 3304 PWs) bands (ev): -31.9404 -31.9404 -31.8763 -31.8763 -13.3500 -13.3500 -13.1548 -13.1548 -12.9359 -12.9359 -12.8237 -12.8237 -12.7450 -12.7450 -12.7107 -12.7107 -8.3226 -8.3226 -3.5263 -3.5263 2.8304 2.8304 4.1155 4.1155 4.8719 4.8719 6.1659 6.1659 6.8500 6.8500 7.0689 7.0689 10.8248 10.8248 11.6724 11.6724 12.0414 12.0414 12.1701 12.1701 k = 0.5506 0.1475-0.2534 ( 3296 PWs) bands (ev): -31.9414 -31.9414 -31.8764 -31.8764 -13.3507 -13.3507 -13.1500 -13.1500 -12.9348 -12.9348 -12.8192 -12.8192 -12.7435 -12.7435 -12.7093 -12.7093 -8.3328 -8.3328 -3.5351 -3.5351 2.8246 2.8246 4.1952 4.1952 4.8940 4.8940 6.1317 6.1317 6.8701 6.8701 7.0640 7.0640 10.8829 10.8829 11.7062 11.7062 12.0251 12.0251 12.1574 12.1574 k = 0.5472 0.1466-0.2311 ( 3295 PWs) bands (ev): -31.9424 -31.9424 -31.8765 -31.8765 -13.3515 -13.3515 -13.1455 -13.1455 -12.9338 -12.9338 -12.8147 -12.8147 -12.7424 -12.7424 -12.7077 -12.7077 -8.3424 -8.3424 -3.5435 -3.5435 2.8193 2.8193 4.2727 4.2727 4.9162 4.9162 6.0986 6.0986 6.8891 6.8891 7.0591 7.0591 10.9373 10.9373 11.7336 11.7336 12.0096 12.0096 12.1388 12.1389 k = 0.5438 0.1457-0.2088 ( 3297 PWs) bands (ev): -31.9434 -31.9434 -31.8766 -31.8766 -13.3523 -13.3523 -13.1412 -13.1412 -12.9328 -12.9328 -12.8103 -12.8103 -12.7417 -12.7417 -12.7059 -12.7059 -8.3516 -8.3516 -3.5517 -3.5517 2.8145 2.8145 4.3476 4.3476 4.9384 4.9384 6.0667 6.0667 6.9070 6.9070 7.0545 7.0545 10.9864 10.9864 11.7527 11.7527 11.9952 11.9952 12.1253 12.1253 k = 0.5405 0.1448-0.1865 ( 3299 PWs) bands (ev): -31.9442 -31.9442 -31.8767 -31.8767 -13.3530 -13.3530 -13.1372 -13.1372 -12.9319 -12.9319 -12.8059 -12.8059 -12.7414 -12.7414 -12.7040 -12.7040 -8.3601 -8.3601 -3.5594 -3.5594 2.8102 2.8102 4.4191 4.4191 4.9607 4.9607 6.0362 6.0362 6.9238 6.9238 7.0500 7.0500 11.0286 11.0286 11.7632 11.7632 11.9819 11.9819 12.1199 12.1199 k = 0.5371 0.1439-0.1642 ( 3295 PWs) bands (ev): -31.9451 -31.9451 -31.8768 -31.8768 -13.3537 -13.3537 -13.1336 -13.1336 -12.9310 -12.9310 -12.8016 -12.8016 -12.7415 -12.7415 -12.7020 -12.7020 -8.3681 -8.3681 -3.5667 -3.5667 2.8063 2.8063 4.4865 4.4865 4.9833 4.9833 6.0071 6.0071 6.9393 6.9393 7.0457 7.0457 11.0619 11.0619 11.7680 11.7680 11.9696 11.9696 12.1204 12.1204 k = 0.5337 0.1430-0.1419 ( 3301 PWs) bands (ev): -31.9458 -31.9458 -31.8769 -31.8769 -13.3544 -13.3544 -13.1302 -13.1302 -12.9302 -12.9302 -12.7973 -12.7973 -12.7420 -12.7420 -12.6999 -12.6999 -8.3755 -8.3755 -3.5735 -3.5735 2.8029 2.8029 4.5492 4.5492 5.0062 5.0062 5.9796 5.9796 6.9534 6.9534 7.0417 7.0417 11.0847 11.0847 11.7712 11.7712 11.9584 11.9584 12.1213 12.1213 k = 0.5303 0.1421-0.1196 ( 3295 PWs) bands (ev): -31.9465 -31.9465 -31.8769 -31.8769 -13.3551 -13.3551 -13.1271 -13.1271 -12.9295 -12.9295 -12.7932 -12.7932 -12.7428 -12.7428 -12.6979 -12.6979 -8.3823 -8.3823 -3.5798 -3.5798 2.7999 2.7999 4.6065 4.6065 5.0295 5.0295 5.9537 5.9537 6.9662 6.9662 7.0381 7.0381 11.0964 11.0964 11.7773 11.7773 11.9484 11.9484 12.1176 12.1176 k = 0.5270 0.1412-0.0973 ( 3296 PWs) bands (ev): -31.9471 -31.9471 -31.8770 -31.8770 -13.3557 -13.3557 -13.1243 -13.1243 -12.9288 -12.9288 -12.7891 -12.7891 -12.7439 -12.7439 -12.6960 -12.6960 -8.3884 -8.3884 -3.5855 -3.5855 2.7973 2.7973 4.6578 4.6578 5.0532 5.0532 5.9297 5.9297 6.9777 6.9777 7.0347 7.0347 11.0974 11.0974 11.7884 11.7884 11.9393 11.9393 12.1082 12.1082 k = 0.5236 0.1403-0.0750 ( 3296 PWs) bands (ev): -31.9477 -31.9477 -31.8771 -31.8771 -13.3562 -13.3562 -13.1219 -13.1219 -12.9282 -12.9282 -12.7851 -12.7851 -12.7452 -12.7452 -12.6942 -12.6942 -8.3938 -8.3938 -3.5906 -3.5906 2.7951 2.7951 4.7025 4.7025 5.0770 5.0770 5.9076 5.9076 6.9877 6.9877 7.0317 7.0317 11.0897 11.0897 11.8045 11.8045 11.9314 11.9314 12.0950 12.0950 k = 0.5202 0.1394-0.0527 ( 3300 PWs) bands (ev): -31.9482 -31.9482 -31.8771 -31.8771 -13.3567 -13.3567 -13.1197 -13.1197 -12.9277 -12.9277 -12.7812 -12.7812 -12.7468 -12.7468 -12.6926 -12.6926 -8.3986 -8.3986 -3.5951 -3.5951 2.7933 2.7933 4.7405 4.7405 5.1006 5.1006 5.8876 5.8876 6.9963 6.9963 7.0292 7.0292 11.0760 11.0760 11.8240 11.8240 11.9245 11.9245 12.0806 12.0806 k = 0.5169 0.1385-0.0304 ( 3305 PWs) bands (ev): -31.9486 -31.9486 -31.8772 -31.8772 -13.3571 -13.3571 -13.1179 -13.1179 -12.9272 -12.9272 -12.7775 -12.7775 -12.7487 -12.7487 -12.6912 -12.6912 -8.4026 -8.4026 -3.5990 -3.5990 2.7918 2.7918 4.7718 4.7718 5.1231 5.1231 5.8699 5.8699 7.0034 7.0034 7.0271 7.0271 11.0594 11.0594 11.8449 11.8449 11.9188 11.9188 12.0669 12.0669 k = 0.5135 0.1376-0.0081 ( 3309 PWs) bands (ev): -31.9489 -31.9489 -31.8772 -31.8772 -13.3575 -13.3575 -13.1165 -13.1165 -12.9269 -12.9269 -12.7739 -12.7739 -12.7507 -12.7507 -12.6900 -12.6900 -8.4060 -8.4060 -3.6022 -3.6022 2.7905 2.7905 4.7966 4.7966 5.1436 5.1436 5.8549 5.8549 7.0089 7.0089 7.0256 7.0256 11.0424 11.0424 11.8647 11.8647 11.9140 11.9140 12.0550 12.0550 k = 0.5101 0.1367 0.0142 ( 3307 PWs) bands (ev): -31.9492 -31.9492 -31.8773 -31.8773 -13.3578 -13.3578 -13.1153 -13.1153 -12.9266 -12.9266 -12.7704 -12.7704 -12.7530 -12.7530 -12.6890 -12.6890 -8.4085 -8.4085 -3.6047 -3.6047 2.7896 2.7896 4.8153 4.8153 5.1610 5.1610 5.8428 5.8428 7.0128 7.0128 7.0248 7.0248 11.0272 11.0272 11.8819 11.8819 11.9104 11.9104 12.0455 12.0455 k = 0.5067 0.1358 0.0365 ( 3307 PWs) bands (ev): -31.9494 -31.9494 -31.8773 -31.8773 -13.3580 -13.3580 -13.1145 -13.1145 -12.9263 -12.9263 -12.7671 -12.7671 -12.7554 -12.7554 -12.6883 -12.6883 -8.4104 -8.4104 -3.6065 -3.6065 2.7890 2.7890 4.8283 4.8283 5.1744 5.1744 5.8338 5.8338 7.0150 7.0150 7.0248 7.0248 11.0153 11.0153 11.8948 11.8948 11.9078 11.9078 12.0388 12.0388 k = 0.5034 0.1349 0.0588 ( 3309 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3581 -13.3581 -13.1140 -13.1140 -12.9262 -12.9262 -12.7640 -12.7640 -12.7580 -12.7580 -12.6879 -12.6879 -8.4115 -8.4115 -3.6076 -3.6076 2.7886 2.7886 4.8359 4.8359 5.1828 5.1828 5.8283 5.8283 7.0159 7.0159 7.0252 7.0252 11.0077 11.0077 11.9027 11.9027 11.9064 11.9064 12.0348 12.0348 k = 0.5000 0.1340 0.0811 ( 3312 PWs) bands (ev): -31.9495 -31.9495 -31.8773 -31.8773 -13.3581 -13.3581 -13.1138 -13.1138 -12.9262 -12.9262 -12.7618 -12.7618 -12.7601 -12.7601 -12.6878 -12.6878 -8.4119 -8.4119 -3.6080 -3.6080 2.7885 2.7885 4.8384 4.8384 5.1857 5.1857 5.8264 5.8264 7.0162 7.0162 7.0254 7.0254 11.0051 11.0051 11.9047 11.9047 11.9066 11.9066 12.0335 12.0335 k = 0.5000-0.8660-0.5240 ( 3294 PWs) bands (ev): -31.9038 -31.9038 -31.8804 -31.8804 -13.3317 -13.3317 -13.3117 -13.3117 -12.9528 -12.9528 -12.9085 -12.9085 -12.8347 -12.8347 -12.7323 -12.7323 -8.0037 -8.0037 -3.3137 -3.3137 2.2332 2.2332 3.3059 3.3059 4.3920 4.3920 5.8696 5.8696 6.9822 6.9822 7.1270 7.1270 10.1994 10.1994 11.3178 11.3178 11.9402 11.9402 12.1260 12.1260 k = 0.5198-0.8577-0.5189 ( 3298 PWs) bands (ev): -31.9038 -31.9038 -31.8804 -31.8804 -13.3318 -13.3318 -13.3117 -13.3117 -12.9528 -12.9528 -12.9085 -12.9085 -12.8346 -12.8346 -12.7323 -12.7323 -8.0037 -8.0037 -3.3136 -3.3136 2.2330 2.2330 3.3056 3.3056 4.3920 4.3920 5.8711 5.8711 6.9827 6.9827 7.1272 7.1272 10.1950 10.1950 11.3178 11.3178 11.9417 11.9417 12.1281 12.1281 k = 0.5396-0.8493-0.5138 ( 3306 PWs) bands (ev): -31.9038 -31.9038 -31.8804 -31.8804 -13.3321 -13.3321 -13.3116 -13.3116 -12.9528 -12.9528 -12.9085 -12.9085 -12.8344 -12.8344 -12.7322 -12.7322 -8.0038 -8.0038 -3.3135 -3.3135 2.2323 2.2323 3.3046 3.3046 4.3918 4.3918 5.8756 5.8756 6.9840 6.9840 7.1277 7.1277 10.1822 10.1822 11.3175 11.3175 11.9461 11.9461 12.1350 12.1350 k = 0.5594-0.8409-0.5088 ( 3304 PWs) bands (ev): -31.9038 -31.9038 -31.8804 -31.8804 -13.3325 -13.3325 -13.3116 -13.3116 -12.9528 -12.9528 -12.9085 -12.9085 -12.8341 -12.8341 -12.7321 -12.7321 -8.0040 -8.0040 -3.3134 -3.3134 2.2313 2.2313 3.3030 3.3030 4.3915 4.3915 5.8830 5.8830 6.9862 6.9862 7.1285 7.1285 10.1616 10.1616 11.3163 11.3163 11.9527 11.9527 12.1474 12.1474 k = 0.5792-0.8326-0.5037 ( 3306 PWs) bands (ev): -31.9039 -31.9039 -31.8803 -31.8803 -13.3330 -13.3330 -13.3115 -13.3115 -12.9527 -12.9527 -12.9085 -12.9085 -12.8337 -12.8337 -12.7320 -12.7320 -8.0043 -8.0043 -3.3132 -3.3132 2.2299 2.2299 3.3008 3.3008 4.3911 4.3911 5.8931 5.8931 6.9893 6.9893 7.1296 7.1296 10.1342 10.1342 11.3132 11.3132 11.9602 11.9602 12.1667 12.1667 k = 0.5991-0.8242-0.4986 ( 3310 PWs) bands (ev): -31.9039 -31.9039 -31.8803 -31.8803 -13.3336 -13.3336 -13.3114 -13.3114 -12.9527 -12.9527 -12.9085 -12.9085 -12.8331 -12.8331 -12.7318 -12.7318 -8.0046 -8.0046 -3.3130 -3.3130 2.2281 2.2281 3.2981 3.2981 4.3905 4.3905 5.9058 5.9058 6.9931 6.9931 7.1311 7.1311 10.1012 10.1012 11.3074 11.3074 11.9675 11.9675 12.1941 12.1941 k = 0.6189-0.8158-0.4936 ( 3312 PWs) bands (ev): -31.9039 -31.9039 -31.8803 -31.8803 -13.3344 -13.3344 -13.3114 -13.3114 -12.9526 -12.9526 -12.9085 -12.9085 -12.8325 -12.8325 -12.7316 -12.7316 -8.0049 -8.0049 -3.3127 -3.3127 2.2260 2.2260 3.2949 3.2949 4.3899 4.3899 5.9208 5.9208 6.9978 6.9978 7.1328 7.1328 10.0638 10.0638 11.2984 11.2984 11.9737 11.9737 12.2305 12.2305 k = 0.6387-0.8074-0.4885 ( 3308 PWs) bands (ev): -31.9039 -31.9039 -31.8803 -31.8803 -13.3352 -13.3352 -13.3113 -13.3113 -12.9526 -12.9526 -12.9085 -12.9085 -12.8317 -12.8317 -12.7314 -12.7314 -8.0054 -8.0054 -3.3124 -3.3124 2.2236 2.2236 3.2914 3.2914 4.3893 4.3893 5.9378 5.9378 7.0031 7.0031 7.1347 7.1347 10.0233 10.0233 11.2860 11.2860 11.9783 11.9783 12.2758 12.2758 k = 0.6585-0.7991-0.4834 ( 3311 PWs) bands (ev): -31.9039 -31.9039 -31.8803 -31.8803 -13.3361 -13.3361 -13.3112 -13.3112 -12.9525 -12.9525 -12.9084 -12.9084 -12.8309 -12.8309 -12.7311 -12.7311 -8.0059 -8.0059 -3.3121 -3.3121 2.2211 2.2211 3.2877 3.2877 4.3885 4.3885 5.9565 5.9565 7.0091 7.0091 7.1368 7.1368 9.9807 9.9807 11.2702 11.2702 11.9814 11.9814 12.3291 12.3291 k = 0.6783-0.7907-0.4784 ( 3314 PWs) bands (ev): -31.9040 -31.9040 -31.8803 -31.8803 -13.3370 -13.3370 -13.3112 -13.3112 -12.9525 -12.9525 -12.9084 -12.9084 -12.8301 -12.8301 -12.7309 -12.7309 -8.0064 -8.0064 -3.3117 -3.3117 2.2183 2.2183 3.2838 3.2838 4.3878 4.3878 5.9764 5.9764 7.0156 7.0156 7.1390 7.1390 9.9371 9.9371 11.2514 11.2514 11.9833 11.9833 12.3892 12.3892 k = 0.6981-0.7823-0.4733 ( 3318 PWs) bands (ev): -31.9040 -31.9040 -31.8803 -31.8803 -13.3379 -13.3379 -13.3112 -13.3112 -12.9524 -12.9524 -12.9083 -12.9083 -12.8292 -12.8292 -12.7306 -12.7306 -8.0069 -8.0069 -3.3114 -3.3114 2.2154 2.2154 3.2798 3.2798 4.3870 4.3870 5.9974 5.9974 7.0226 7.0226 7.1414 7.1414 9.8933 9.8933 11.2302 11.2302 11.9845 11.9845 12.4549 12.4549 k = 0.7179-0.7739-0.4682 ( 3314 PWs) bands (ev): -31.9041 -31.9041 -31.8802 -31.8802 -13.3388 -13.3388 -13.3112 -13.3112 -12.9523 -12.9523 -12.9082 -12.9082 -12.8282 -12.8282 -12.7303 -12.7303 -8.0075 -8.0075 -3.3110 -3.3110 2.2126 2.2126 3.2758 3.2758 4.3863 4.3863 6.0188 6.0188 7.0299 7.0299 7.1437 7.1437 9.8501 9.8501 11.2072 11.2072 11.9854 11.9854 12.5247 12.5247 k = 0.7377-0.7656-0.4632 ( 3308 PWs) bands (ev): -31.9041 -31.9041 -31.8802 -31.8802 -13.3397 -13.3397 -13.3111 -13.3111 -12.9523 -12.9523 -12.9081 -12.9081 -12.8273 -12.8273 -12.7300 -12.7300 -8.0081 -8.0081 -3.3107 -3.3107 2.2097 2.2097 3.2720 3.2720 4.3855 4.3855 6.0404 6.0404 7.0374 7.0374 7.1461 7.1461 9.8084 9.8084 11.1829 11.1829 11.9862 11.9862 12.5972 12.5972 k = 0.7576-0.7572-0.4581 ( 3301 PWs) bands (ev): -31.9041 -31.9041 -31.8802 -31.8802 -13.3406 -13.3406 -13.3111 -13.3111 -12.9522 -12.9522 -12.9080 -12.9080 -12.8263 -12.8263 -12.7297 -12.7297 -8.0088 -8.0088 -3.3104 -3.3104 2.2070 2.2070 3.2683 3.2683 4.3849 4.3849 6.0616 6.0616 7.0449 7.0449 7.1485 7.1485 9.7685 9.7685 11.1580 11.1580 11.9872 11.9872 12.6710 12.6710 k = 0.7774-0.7488-0.4530 ( 3303 PWs) bands (ev): -31.9042 -31.9042 -31.8802 -31.8802 -13.3414 -13.3414 -13.3112 -13.3112 -12.9521 -12.9521 -12.9079 -12.9079 -12.8255 -12.8255 -12.7293 -12.7293 -8.0094 -8.0094 -3.3101 -3.3101 2.2044 2.2044 3.2649 3.2649 4.3843 4.3843 6.0822 6.0822 7.0524 7.0524 7.1507 7.1507 9.7312 9.7312 11.1330 11.1330 11.9886 11.9886 12.7444 12.7444 k = 0.7972-0.7404-0.4480 ( 3307 PWs) bands (ev): -31.9042 -31.9042 -31.8802 -31.8802 -13.3422 -13.3422 -13.3112 -13.3112 -12.9521 -12.9521 -12.9077 -12.9077 -12.8246 -12.8246 -12.7290 -12.7290 -8.0100 -8.0100 -3.3099 -3.3099 2.2020 2.2020 3.2618 3.2618 4.3838 4.3838 6.1017 6.1017 7.0595 7.0595 7.1527 7.1527 9.6970 9.6970 11.1084 11.1084 11.9908 11.9908 12.8158 12.8158 k = 0.8170-0.7321-0.4429 ( 3307 PWs) bands (ev): -31.9043 -31.9043 -31.8801 -31.8801 -13.3429 -13.3429 -13.3113 -13.3113 -12.9521 -12.9521 -12.9076 -12.9076 -12.8239 -12.8239 -12.7287 -12.7287 -8.0107 -8.0107 -3.3097 -3.3097 2.2000 2.2000 3.2591 3.2591 4.3833 4.3833 6.1197 6.1197 7.0663 7.0663 7.1546 7.1546 9.6663 9.6663 11.0848 11.0848 11.9938 11.9938 12.8829 12.8829 Writing output data file Ca2BrN.save init_run : 0.34s CPU 0.62s WALL ( 1 calls) electrons : 290.88s CPU 295.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.04s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 290.87s CPU 295.29s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 324 calls) cegterg : 274.65s CPU 277.31s WALL ( 878 calls) Called by sum_band: Called by *egterg: h_psi : 194.47s CPU 196.49s WALL ( 15893 calls) s_psi : 4.96s CPU 4.94s WALL ( 15893 calls) g_psi : 0.28s CPU 0.24s WALL ( 14691 calls) cdiaghg : 73.05s CPU 73.92s WALL ( 15015 calls) cegterg:over : 5.38s CPU 5.26s WALL ( 14691 calls) cegterg:upda : 5.07s CPU 5.08s WALL ( 14691 calls) cegterg:last : 2.00s CPU 2.12s WALL ( 1918 calls) cdiaghg:chol : 3.99s CPU 4.02s WALL ( 15015 calls) cdiaghg:inve : 2.20s CPU 2.23s WALL ( 15015 calls) cdiaghg:para : 4.04s CPU 4.16s WALL ( 30030 calls) Called by h_psi: h_psi:vloc : 185.66s CPU 187.63s WALL ( 15893 calls) h_psi:vnl : 8.60s CPU 8.66s WALL ( 15893 calls) add_vuspsi : 4.15s CPU 4.32s WALL ( 15893 calls) General routines calbec : 4.41s CPU 4.30s WALL ( 15893 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 170.90s CPU 172.63s WALL ( 945608 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.14s WALL ( 648 calls) Parallel routines fft_scatter : 38.04s CPU 38.16s WALL ( 945631 calls) PWSCF : 5m 2.69s CPU 5m49.94s WALL This run was terminated on: 16:15:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=