Program PWSCF v.5.1.1 starts on 23Oct2015 at 21:46:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2ZnSe4.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 69 44 12 1796 935 142 Max 70 45 13 1799 954 146 Sum 3321 2153 619 86255 45419 6939 bravais-lattice index = 14 lattice parameter (alat) = 12.6547 a.u. unit-cell volume = 1113.7611 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.654676 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.662352 celldm(5)= -0.662352 celldm(6)= 0.324703 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.324703 0.945816 0.000000 ) a(3) = ( -0.662352 -0.472908 0.581075 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.343305 0.860474 ) b(2) = ( 0.000000 1.057288 0.860474 ) b(3) = ( 0.000000 0.000000 1.720948 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) Zn 12.00 65.40900 Zn( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0000000 0.0000000 0.0209872), wk = 0.0035461 k( 3) = ( 0.0000000 0.0000000 0.0419743), wk = 0.0035461 k( 4) = ( 0.0000000 0.0000000 0.0629615), wk = 0.0035461 k( 5) = ( 0.0000000 0.0000000 0.0839487), wk = 0.0035461 k( 6) = ( 0.0000000 0.0000000 0.1049358), wk = 0.0035461 k( 7) = ( 0.0000000 0.0000000 0.1259230), wk = 0.0035461 k( 8) = ( 0.0000000 0.0000000 0.1469102), wk = 0.0035461 k( 9) = ( 0.0000000 0.0000000 0.1678973), wk = 0.0035461 k( 10) = ( 0.0000000 0.0000000 0.1888845), wk = 0.0035461 k( 11) = ( 0.0000000 0.0000000 0.2098717), wk = 0.0035461 k( 12) = ( 0.0000000 0.0000000 0.2308588), wk = 0.0035461 k( 13) = ( 0.0000000 0.0000000 0.2518460), wk = 0.0035461 k( 14) = ( 0.0000000 0.0000000 0.2728332), wk = 0.0035461 k( 15) = ( 0.0000000 0.0000000 0.2938203), wk = 0.0035461 k( 16) = ( 0.0000000 0.0000000 0.3148075), wk = 0.0035461 k( 17) = ( 0.0000000 0.0000000 0.3357947), wk = 0.0035461 k( 18) = ( 0.0000000 0.0000000 0.3567818), wk = 0.0035461 k( 19) = ( 0.0000000 0.0000000 0.3777690), wk = 0.0035461 k( 20) = ( 0.0000000 0.0000000 0.3987562), wk = 0.0035461 k( 21) = ( 0.0000000 0.0000000 0.4197433), wk = 0.0035461 k( 22) = ( 0.0000000 0.0000000 0.4407305), wk = 0.0035461 k( 23) = ( 0.0000000 0.0000000 0.4617177), wk = 0.0035461 k( 24) = ( 0.0000000 0.0000000 0.4827048), wk = 0.0035461 k( 25) = ( 0.0000000 0.0000000 0.5036920), wk = 0.0035461 k( 26) = ( 0.0000000 0.0000000 0.5246792), wk = 0.0035461 k( 27) = ( 0.0000000 0.0000000 0.5456664), wk = 0.0035461 k( 28) = ( 0.0000000 0.0000000 0.5666535), wk = 0.0035461 k( 29) = ( 0.0000000 0.0000000 0.5876407), wk = 0.0035461 k( 30) = ( 0.0000000 0.0000000 0.6086279), wk = 0.0035461 k( 31) = ( 0.0000000 0.0000000 0.6296150), wk = 0.0035461 k( 32) = ( 0.0000000 0.0000000 0.6506022), wk = 0.0035461 k( 33) = ( 0.0000000 0.0000000 0.6715894), wk = 0.0035461 k( 34) = ( 0.0000000 0.0000000 0.6925765), wk = 0.0035461 k( 35) = ( 0.0000000 0.0000000 0.7135637), wk = 0.0035461 k( 36) = ( 0.0000000 0.0000000 0.7345509), wk = 0.0035461 k( 37) = ( 0.0000000 0.0000000 0.7555380), wk = 0.0035461 k( 38) = ( 0.0000000 0.0000000 0.7765252), wk = 0.0035461 k( 39) = ( 0.0000000 0.0000000 0.7975124), wk = 0.0035461 k( 40) = ( 0.0000000 0.0000000 0.8184995), wk = 0.0035461 k( 41) = ( 0.0000000 0.0000000 0.8394867), wk = 0.0035461 k( 42) = ( 0.0000000 0.0000000 0.8604739), wk = 0.0035461 k( 43) = ( 0.0000000 0.0000000 0.8604739), wk = 0.0035461 k( 44) = ( -0.0115857 0.0162269 0.8604739), wk = 0.0035461 k( 45) = ( -0.0231715 0.0324538 0.8604739), wk = 0.0035461 k( 46) = ( -0.0347572 0.0486807 0.8604739), wk = 0.0035461 k( 47) = ( -0.0463429 0.0649076 0.8604739), wk = 0.0035461 k( 48) = ( -0.0579286 0.0811345 0.8604739), wk = 0.0035461 k( 49) = ( -0.0695144 0.0973613 0.8604739), wk = 0.0035461 k( 50) = ( -0.0811001 0.1135882 0.8604739), wk = 0.0035461 k( 51) = ( -0.0926858 0.1298151 0.8604739), wk = 0.0035461 k( 52) = ( -0.1042716 0.1460420 0.8604739), wk = 0.0035461 k( 53) = ( -0.1158573 0.1622689 0.8604739), wk = 0.0035461 k( 54) = ( -0.1274430 0.1784958 0.8604739), wk = 0.0035461 k( 55) = ( -0.1274430 0.1784958 0.8604739), wk = 0.0035461 k( 56) = ( -0.1359102 0.1903549 0.8459023), wk = 0.0035461 k( 57) = ( -0.1443774 0.2022140 0.8313306), wk = 0.0035461 k( 58) = ( -0.1528446 0.2140731 0.8167590), wk = 0.0035461 k( 59) = ( -0.1613118 0.2259322 0.8021874), wk = 0.0035461 k( 60) = ( -0.1697790 0.2377914 0.7876158), wk = 0.0035461 k( 61) = ( -0.1782462 0.2496505 0.7730442), wk = 0.0035461 k( 62) = ( -0.1867134 0.2615096 0.7584726), wk = 0.0035461 k( 63) = ( -0.1951807 0.2733687 0.7439009), wk = 0.0035461 k( 64) = ( -0.2036478 0.2852278 0.7293293), wk = 0.0035461 k( 65) = ( -0.2121151 0.2970869 0.7147577), wk = 0.0035461 k( 66) = ( -0.2205823 0.3089460 0.7001861), wk = 0.0035461 k( 67) = ( -0.2290495 0.3208051 0.6856145), wk = 0.0035461 k( 68) = ( -0.2375167 0.3326642 0.6710429), wk = 0.0035461 k( 69) = ( -0.2459839 0.3445233 0.6564712), wk = 0.0035461 k( 70) = ( -0.2544511 0.3563824 0.6418996), wk = 0.0035461 k( 71) = ( -0.2629183 0.3682415 0.6273280), wk = 0.0035461 k( 72) = ( -0.2713855 0.3801006 0.6127564), wk = 0.0035461 k( 73) = ( -0.2798527 0.3919598 0.5981848), wk = 0.0035461 k( 74) = ( -0.2883199 0.4038189 0.5836132), wk = 0.0035461 k( 75) = ( -0.2967871 0.4156780 0.5690416), wk = 0.0035461 k( 76) = ( -0.3052543 0.4275371 0.5544699), wk = 0.0035461 k( 77) = ( -0.3137215 0.4393962 0.5398983), wk = 0.0035461 k( 78) = ( -0.3137215 0.4393962 0.5398983), wk = 0.0035461 k( 79) = ( -0.3050070 0.4271907 0.5249011), wk = 0.0035461 k( 80) = ( -0.2962925 0.4149853 0.5099040), wk = 0.0035461 k( 81) = ( -0.2875780 0.4027798 0.4949068), wk = 0.0035461 k( 82) = ( -0.2788636 0.3905744 0.4799096), wk = 0.0035461 k( 83) = ( -0.2701491 0.3783689 0.4649124), wk = 0.0035461 k( 84) = ( -0.2614346 0.3661635 0.4499153), wk = 0.0035461 k( 85) = ( -0.2527201 0.3539580 0.4349181), wk = 0.0035461 k( 86) = ( -0.2440056 0.3417526 0.4199209), wk = 0.0035461 k( 87) = ( -0.2352911 0.3295471 0.4049237), wk = 0.0035461 k( 88) = ( -0.2265766 0.3173417 0.3899266), wk = 0.0035461 k( 89) = ( -0.2178622 0.3051362 0.3749294), wk = 0.0035461 k( 90) = ( -0.2091477 0.2929308 0.3599322), wk = 0.0035461 k( 91) = ( -0.2004332 0.2807253 0.3449350), wk = 0.0035461 k( 92) = ( -0.1917187 0.2685199 0.3299379), wk = 0.0035461 k( 93) = ( -0.1830042 0.2563144 0.3149407), wk = 0.0035461 k( 94) = ( -0.1742897 0.2441090 0.2999435), wk = 0.0035461 k( 95) = ( -0.1655752 0.2319035 0.2849463), wk = 0.0035461 k( 96) = ( -0.1568607 0.2196981 0.2699492), wk = 0.0035461 k( 97) = ( -0.1481463 0.2074926 0.2549520), wk = 0.0035461 k( 98) = ( -0.1394318 0.1952872 0.2399548), wk = 0.0035461 k( 99) = ( -0.1307173 0.1830817 0.2249576), wk = 0.0035461 k( 100) = ( -0.1220028 0.1708763 0.2099605), wk = 0.0035461 k( 101) = ( -0.1132883 0.1586708 0.1949633), wk = 0.0035461 k( 102) = ( -0.1045738 0.1464654 0.1799661), wk = 0.0035461 k( 103) = ( -0.0958593 0.1342599 0.1649689), wk = 0.0035461 k( 104) = ( -0.0871449 0.1220545 0.1499717), wk = 0.0035461 k( 105) = ( -0.0784304 0.1098491 0.1349746), wk = 0.0035461 k( 106) = ( -0.0697159 0.0976436 0.1199774), wk = 0.0035461 k( 107) = ( -0.0610014 0.0854381 0.1049802), wk = 0.0035461 k( 108) = ( -0.0522869 0.0732327 0.0899831), wk = 0.0035461 k( 109) = ( -0.0435724 0.0610272 0.0749859), wk = 0.0035461 k( 110) = ( -0.0348579 0.0488218 0.0599887), wk = 0.0035461 k( 111) = ( -0.0261435 0.0366164 0.0449915), wk = 0.0035461 k( 112) = ( -0.0174290 0.0244109 0.0299943), wk = 0.0035461 k( 113) = ( -0.0087145 0.0122055 0.0149972), wk = 0.0035461 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 116) = ( 0.0172414 0.0123101 -0.0000000), wk = 0.0035461 k( 117) = ( 0.0344828 0.0246201 -0.0000000), wk = 0.0035461 k( 118) = ( 0.0517241 0.0369302 -0.0000000), wk = 0.0035461 k( 119) = ( 0.0689655 0.0492402 -0.0000000), wk = 0.0035461 k( 120) = ( 0.0862069 0.0615503 -0.0000000), wk = 0.0035461 k( 121) = ( 0.1034483 0.0738603 -0.0000000), wk = 0.0035461 k( 122) = ( 0.1206897 0.0861704 -0.0000000), wk = 0.0035461 k( 123) = ( 0.1379310 0.0984804 -0.0000000), wk = 0.0035461 k( 124) = ( 0.1551724 0.1107905 -0.0000000), wk = 0.0035461 k( 125) = ( 0.1724138 0.1231006 -0.0000000), wk = 0.0035461 k( 126) = ( 0.1896552 0.1354106 -0.0000000), wk = 0.0035461 k( 127) = ( 0.2068966 0.1477207 -0.0000000), wk = 0.0035461 k( 128) = ( 0.2241379 0.1600307 -0.0000000), wk = 0.0035461 k( 129) = ( 0.2413793 0.1723408 -0.0000000), wk = 0.0035461 k( 130) = ( 0.2586207 0.1846508 -0.0000000), wk = 0.0035461 k( 131) = ( 0.2758621 0.1969609 -0.0000000), wk = 0.0035461 k( 132) = ( 0.2931034 0.2092709 -0.0000000), wk = 0.0035461 k( 133) = ( 0.3103448 0.2215810 -0.0000000), wk = 0.0035461 k( 134) = ( 0.3275862 0.2338911 -0.0000000), wk = 0.0035461 k( 135) = ( 0.3448276 0.2462011 -0.0000000), wk = 0.0035461 k( 136) = ( 0.3620690 0.2585112 -0.0000000), wk = 0.0035461 k( 137) = ( 0.3793103 0.2708212 -0.0000000), wk = 0.0035461 k( 138) = ( 0.3965517 0.2831313 -0.0000000), wk = 0.0035461 k( 139) = ( 0.4137931 0.2954413 -0.0000000), wk = 0.0035461 k( 140) = ( 0.4310345 0.3077514 -0.0000000), wk = 0.0035461 k( 141) = ( 0.4482759 0.3200614 -0.0000000), wk = 0.0035461 k( 142) = ( 0.4655172 0.3323715 -0.0000000), wk = 0.0035461 k( 143) = ( 0.4827586 0.3446816 -0.0000000), wk = 0.0035461 k( 144) = ( 0.5000000 0.3569916 -0.0000000), wk = 0.0035461 k( 145) = ( 0.5000000 0.3569916 -0.0000000), wk = 0.0035461 k( 146) = ( 0.4915328 0.3688507 0.0145716), wk = 0.0035461 k( 147) = ( 0.4830656 0.3807098 0.0291432), wk = 0.0035461 k( 148) = ( 0.4745984 0.3925689 0.0437148), wk = 0.0035461 k( 149) = ( 0.4661312 0.4044281 0.0582865), wk = 0.0035461 k( 150) = ( 0.4576640 0.4162872 0.0728581), wk = 0.0035461 k( 151) = ( 0.4491968 0.4281463 0.0874297), wk = 0.0035461 k( 152) = ( 0.4407296 0.4400054 0.1020013), wk = 0.0035461 k( 153) = ( 0.4322624 0.4518645 0.1165729), wk = 0.0035461 k( 154) = ( 0.4237952 0.4637236 0.1311445), wk = 0.0035461 k( 155) = ( 0.4153280 0.4755827 0.1457162), wk = 0.0035461 k( 156) = ( 0.4068607 0.4874418 0.1602878), wk = 0.0035461 k( 157) = ( 0.3983935 0.4993009 0.1748594), wk = 0.0035461 k( 158) = ( 0.3899263 0.5111600 0.1894310), wk = 0.0035461 k( 159) = ( 0.3814591 0.5230191 0.2040026), wk = 0.0035461 k( 160) = ( 0.3729919 0.5348782 0.2185742), wk = 0.0035461 k( 161) = ( 0.3645247 0.5467373 0.2331459), wk = 0.0035461 k( 162) = ( 0.3560575 0.5585964 0.2477175), wk = 0.0035461 k( 163) = ( 0.3475903 0.5704556 0.2622891), wk = 0.0035461 k( 164) = ( 0.3391231 0.5823147 0.2768607), wk = 0.0035461 k( 165) = ( 0.3306559 0.5941738 0.2914323), wk = 0.0035461 k( 166) = ( 0.3221887 0.6060329 0.3060039), wk = 0.0035461 k( 167) = ( 0.3137215 0.6178920 0.3205755), wk = 0.0035461 k( 168) = ( 0.3137215 0.6178920 0.3205755), wk = 0.0035461 k( 169) = ( 0.2952673 0.6126421 0.3270262), wk = 0.0035461 k( 170) = ( 0.2768131 0.6073922 0.3334769), wk = 0.0035461 k( 171) = ( 0.2583589 0.6021424 0.3399276), wk = 0.0035461 k( 172) = ( 0.2399047 0.5968925 0.3463782), wk = 0.0035461 k( 173) = ( 0.2214505 0.5916426 0.3528289), wk = 0.0035461 k( 174) = ( 0.2029963 0.5863927 0.3592796), wk = 0.0035461 k( 175) = ( 0.1845421 0.5811429 0.3657302), wk = 0.0035461 k( 176) = ( 0.1660879 0.5758930 0.3721809), wk = 0.0035461 k( 177) = ( 0.1476337 0.5706431 0.3786316), wk = 0.0035461 k( 178) = ( 0.1291794 0.5653932 0.3850822), wk = 0.0035461 k( 179) = ( 0.1107252 0.5601433 0.3915329), wk = 0.0035461 k( 180) = ( 0.0922710 0.5548935 0.3979836), wk = 0.0035461 k( 181) = ( 0.0738168 0.5496436 0.4044342), wk = 0.0035461 k( 182) = ( 0.0553626 0.5443937 0.4108849), wk = 0.0035461 k( 183) = ( 0.0369084 0.5391438 0.4173356), wk = 0.0035461 k( 184) = ( 0.0184542 0.5338940 0.4237863), wk = 0.0035461 k( 185) = ( 0.0000000 0.5286441 0.4302369), wk = 0.0035461 k( 186) = ( 0.0000000 0.5286441 0.4302369), wk = 0.0035461 k( 187) = ( 0.0086207 0.5165700 0.4450727), wk = 0.0035461 k( 188) = ( 0.0172414 0.5044959 0.4599084), wk = 0.0035461 k( 189) = ( 0.0258621 0.4924218 0.4747442), wk = 0.0035461 k( 190) = ( 0.0344828 0.4803478 0.4895800), wk = 0.0035461 k( 191) = ( 0.0431035 0.4682737 0.5044157), wk = 0.0035461 k( 192) = ( 0.0517241 0.4561996 0.5192515), wk = 0.0035461 k( 193) = ( 0.0603448 0.4441255 0.5340872), wk = 0.0035461 k( 194) = ( 0.0689655 0.4320515 0.5489230), wk = 0.0035461 k( 195) = ( 0.0775862 0.4199774 0.5637587), wk = 0.0035461 k( 196) = ( 0.0862069 0.4079033 0.5785945), wk = 0.0035461 k( 197) = ( 0.0948276 0.3958292 0.5934303), wk = 0.0035461 k( 198) = ( 0.1034483 0.3837551 0.6082660), wk = 0.0035461 k( 199) = ( 0.1120690 0.3716811 0.6231018), wk = 0.0035461 k( 200) = ( 0.1206897 0.3596070 0.6379375), wk = 0.0035461 k( 201) = ( 0.1293103 0.3475329 0.6527733), wk = 0.0035461 k( 202) = ( 0.1379310 0.3354588 0.6676090), wk = 0.0035461 k( 203) = ( 0.1465517 0.3233848 0.6824448), wk = 0.0035461 k( 204) = ( 0.1551724 0.3113107 0.6972805), wk = 0.0035461 k( 205) = ( 0.1637931 0.2992366 0.7121163), wk = 0.0035461 k( 206) = ( 0.1724138 0.2871625 0.7269521), wk = 0.0035461 k( 207) = ( 0.1810345 0.2750884 0.7417878), wk = 0.0035461 k( 208) = ( 0.1896552 0.2630144 0.7566236), wk = 0.0035461 k( 209) = ( 0.1982759 0.2509403 0.7714593), wk = 0.0035461 k( 210) = ( 0.2068966 0.2388662 0.7862951), wk = 0.0035461 k( 211) = ( 0.2155172 0.2267921 0.8011308), wk = 0.0035461 k( 212) = ( 0.2241379 0.2147180 0.8159666), wk = 0.0035461 k( 213) = ( 0.2327586 0.2026440 0.8308023), wk = 0.0035461 k( 214) = ( 0.2413793 0.1905699 0.8456381), wk = 0.0035461 k( 215) = ( 0.2500000 0.1784958 0.8604739), wk = 0.0035461 k( 216) = ( 0.2500000 0.1784958 0.8604739), wk = 0.0035461 k( 217) = ( 0.2638889 0.1884122 0.8482893), wk = 0.0035461 k( 218) = ( 0.2777778 0.1983287 0.8361047), wk = 0.0035461 k( 219) = ( 0.2916667 0.2082451 0.8239201), wk = 0.0035461 k( 220) = ( 0.3055556 0.2181615 0.8117355), wk = 0.0035461 k( 221) = ( 0.3194444 0.2280780 0.7995509), wk = 0.0035461 k( 222) = ( 0.3333333 0.2379944 0.7873663), wk = 0.0035461 k( 223) = ( 0.3472222 0.2479108 0.7751817), wk = 0.0035461 k( 224) = ( 0.3611111 0.2578273 0.7629971), wk = 0.0035461 k( 225) = ( 0.3750000 0.2677437 0.7508125), wk = 0.0035461 k( 226) = ( 0.3888889 0.2776601 0.7386279), wk = 0.0035461 k( 227) = ( 0.4027778 0.2875766 0.7264433), wk = 0.0035461 k( 228) = ( 0.4166667 0.2974930 0.7142587), wk = 0.0035461 k( 229) = ( 0.4305556 0.3074095 0.7020741), wk = 0.0035461 k( 230) = ( 0.4444444 0.3173259 0.6898895), wk = 0.0035461 k( 231) = ( 0.4583333 0.3272423 0.6777049), wk = 0.0035461 k( 232) = ( 0.4722222 0.3371587 0.6655203), wk = 0.0035461 k( 233) = ( 0.4861111 0.3470752 0.6533357), wk = 0.0035461 k( 234) = ( 0.5000000 0.3569916 0.6411511), wk = 0.0035461 k( 235) = ( 0.5000000 0.3569916 0.6411511), wk = 0.0035461 k( 236) = ( 0.5000000 0.3569916 0.6204688), wk = 0.0035461 k( 237) = ( 0.5000000 0.3569916 0.5997865), wk = 0.0035461 k( 238) = ( 0.5000000 0.3569916 0.5791042), wk = 0.0035461 k( 239) = ( 0.5000000 0.3569916 0.5584219), wk = 0.0035461 k( 240) = ( 0.5000000 0.3569916 0.5377396), wk = 0.0035461 k( 241) = ( 0.5000000 0.3569916 0.5170573), wk = 0.0035461 k( 242) = ( 0.5000000 0.3569916 0.4963750), wk = 0.0035461 k( 243) = ( 0.5000000 0.3569916 0.4756928), wk = 0.0035461 k( 244) = ( 0.5000000 0.3569916 0.4550105), wk = 0.0035461 k( 245) = ( 0.5000000 0.3569916 0.4343282), wk = 0.0035461 k( 246) = ( 0.5000000 0.3569916 0.4136459), wk = 0.0035461 k( 247) = ( 0.5000000 0.3569916 0.3929636), wk = 0.0035461 k( 248) = ( 0.5000000 0.3569916 0.3722813), wk = 0.0035461 k( 249) = ( 0.5000000 0.3569916 0.3515990), wk = 0.0035461 k( 250) = ( 0.5000000 0.3569916 0.3309167), wk = 0.0035461 k( 251) = ( 0.5000000 0.3569916 0.3102344), wk = 0.0035461 k( 252) = ( 0.5000000 0.3569916 0.2895521), wk = 0.0035461 k( 253) = ( 0.5000000 0.3569916 0.2688698), wk = 0.0035461 k( 254) = ( 0.5000000 0.3569916 0.2481875), wk = 0.0035461 k( 255) = ( 0.5000000 0.3569916 0.2275052), wk = 0.0035461 k( 256) = ( 0.5000000 0.3569916 0.2068229), wk = 0.0035461 k( 257) = ( 0.5000000 0.3569916 0.1861406), wk = 0.0035461 k( 258) = ( 0.5000000 0.3569916 0.1654584), wk = 0.0035461 k( 259) = ( 0.5000000 0.3569916 0.1447761), wk = 0.0035461 k( 260) = ( 0.5000000 0.3569916 0.1240938), wk = 0.0035461 k( 261) = ( 0.5000000 0.3569916 0.1034115), wk = 0.0035461 k( 262) = ( 0.5000000 0.3569916 0.0827292), wk = 0.0035461 k( 263) = ( 0.5000000 0.3569916 0.0620469), wk = 0.0035461 k( 264) = ( 0.5000000 0.3569916 0.0413646), wk = 0.0035461 k( 265) = ( 0.5000000 0.3569916 0.0206823), wk = 0.0035461 k( 266) = ( 0.5000000 0.3569916 -0.0000000), wk = 0.0035461 k( 267) = ( 0.0000000 0.0000000 0.8604739), wk = 0.0035461 k( 268) = ( 0.0166667 0.0118997 0.8604739), wk = 0.0035461 k( 269) = ( 0.0333333 0.0237994 0.8604739), wk = 0.0035461 k( 270) = ( 0.0500000 0.0356992 0.8604739), wk = 0.0035461 k( 271) = ( 0.0666667 0.0475989 0.8604739), wk = 0.0035461 k( 272) = ( 0.0833333 0.0594986 0.8604739), wk = 0.0035461 k( 273) = ( 0.1000000 0.0713983 0.8604739), wk = 0.0035461 k( 274) = ( 0.1166667 0.0832980 0.8604739), wk = 0.0035461 k( 275) = ( 0.1333333 0.0951978 0.8604739), wk = 0.0035461 k( 276) = ( 0.1500000 0.1070975 0.8604739), wk = 0.0035461 k( 277) = ( 0.1666667 0.1189972 0.8604739), wk = 0.0035461 k( 278) = ( 0.1833333 0.1308969 0.8604739), wk = 0.0035461 k( 279) = ( 0.2000000 0.1427966 0.8604739), wk = 0.0035461 k( 280) = ( 0.2166667 0.1546964 0.8604739), wk = 0.0035461 k( 281) = ( 0.2333333 0.1665961 0.8604739), wk = 0.0035461 k( 282) = ( 0.2500000 0.1784958 0.8604739), wk = 0.0035461 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0035461 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0035461 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0035461 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0035461 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0035461 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0035461 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0035461 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0035461 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0035461 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0035461 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0035461 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0035461 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0035461 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0035461 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0035461 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0035461 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0035461 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0035461 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0035461 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0035461 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0035461 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0035461 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0035461 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0035461 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0035461 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0035461 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0035461 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0035461 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0035461 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0035461 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0035461 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0035461 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0035461 k( 35) = ( 0.0000000 0.0000000 0.4146342), wk = 0.0035461 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0035461 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0035461 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0035461 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0035461 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0035461 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0035461 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 44) = ( -0.0115857 0.0115857 0.5000000), wk = 0.0035461 k( 45) = ( -0.0231715 0.0231715 0.5000000), wk = 0.0035461 k( 46) = ( -0.0347572 0.0347572 0.5000000), wk = 0.0035461 k( 47) = ( -0.0463429 0.0463429 0.5000000), wk = 0.0035461 k( 48) = ( -0.0579286 0.0579286 0.5000000), wk = 0.0035461 k( 49) = ( -0.0695144 0.0695144 0.5000000), wk = 0.0035461 k( 50) = ( -0.0811001 0.0811001 0.5000000), wk = 0.0035461 k( 51) = ( -0.0926858 0.0926858 0.5000000), wk = 0.0035461 k( 52) = ( -0.1042716 0.1042716 0.5000000), wk = 0.0035461 k( 53) = ( -0.1158573 0.1158573 0.5000000), wk = 0.0035461 k( 54) = ( -0.1274430 0.1274430 0.5000000), wk = 0.0035461 k( 55) = ( -0.1274430 0.1274430 0.5000000), wk = 0.0035461 k( 56) = ( -0.1359102 0.1359102 0.4915328), wk = 0.0035461 k( 57) = ( -0.1443774 0.1443774 0.4830656), wk = 0.0035461 k( 58) = ( -0.1528446 0.1528446 0.4745984), wk = 0.0035461 k( 59) = ( -0.1613118 0.1613118 0.4661312), wk = 0.0035461 k( 60) = ( -0.1697790 0.1697790 0.4576640), wk = 0.0035461 k( 61) = ( -0.1782462 0.1782462 0.4491968), wk = 0.0035461 k( 62) = ( -0.1867134 0.1867134 0.4407296), wk = 0.0035461 k( 63) = ( -0.1951807 0.1951807 0.4322624), wk = 0.0035461 k( 64) = ( -0.2036478 0.2036479 0.4237952), wk = 0.0035461 k( 65) = ( -0.2121151 0.2121151 0.4153280), wk = 0.0035461 k( 66) = ( -0.2205823 0.2205823 0.4068607), wk = 0.0035461 k( 67) = ( -0.2290495 0.2290495 0.3983935), wk = 0.0035461 k( 68) = ( -0.2375167 0.2375167 0.3899263), wk = 0.0035461 k( 69) = ( -0.2459839 0.2459839 0.3814591), wk = 0.0035461 k( 70) = ( -0.2544511 0.2544511 0.3729919), wk = 0.0035461 k( 71) = ( -0.2629183 0.2629183 0.3645247), wk = 0.0035461 k( 72) = ( -0.2713855 0.2713855 0.3560575), wk = 0.0035461 k( 73) = ( -0.2798527 0.2798527 0.3475903), wk = 0.0035461 k( 74) = ( -0.2883199 0.2883199 0.3391231), wk = 0.0035461 k( 75) = ( -0.2967871 0.2967871 0.3306559), wk = 0.0035461 k( 76) = ( -0.3052543 0.3052543 0.3221887), wk = 0.0035461 k( 77) = ( -0.3137215 0.3137215 0.3137215), wk = 0.0035461 k( 78) = ( -0.3137215 0.3137215 0.3137215), wk = 0.0035461 k( 79) = ( -0.3050070 0.3050070 0.3050070), wk = 0.0035461 k( 80) = ( -0.2962925 0.2962925 0.2962925), wk = 0.0035461 k( 81) = ( -0.2875780 0.2875780 0.2875781), wk = 0.0035461 k( 82) = ( -0.2788636 0.2788636 0.2788636), wk = 0.0035461 k( 83) = ( -0.2701491 0.2701491 0.2701491), wk = 0.0035461 k( 84) = ( -0.2614346 0.2614346 0.2614346), wk = 0.0035461 k( 85) = ( -0.2527201 0.2527201 0.2527201), wk = 0.0035461 k( 86) = ( -0.2440056 0.2440056 0.2440056), wk = 0.0035461 k( 87) = ( -0.2352911 0.2352911 0.2352911), wk = 0.0035461 k( 88) = ( -0.2265766 0.2265766 0.2265766), wk = 0.0035461 k( 89) = ( -0.2178622 0.2178622 0.2178622), wk = 0.0035461 k( 90) = ( -0.2091477 0.2091477 0.2091477), wk = 0.0035461 k( 91) = ( -0.2004332 0.2004332 0.2004332), wk = 0.0035461 k( 92) = ( -0.1917187 0.1917187 0.1917187), wk = 0.0035461 k( 93) = ( -0.1830042 0.1830042 0.1830042), wk = 0.0035461 k( 94) = ( -0.1742897 0.1742897 0.1742897), wk = 0.0035461 k( 95) = ( -0.1655752 0.1655752 0.1655752), wk = 0.0035461 k( 96) = ( -0.1568607 0.1568607 0.1568607), wk = 0.0035461 k( 97) = ( -0.1481463 0.1481463 0.1481463), wk = 0.0035461 k( 98) = ( -0.1394318 0.1394318 0.1394318), wk = 0.0035461 k( 99) = ( -0.1307173 0.1307173 0.1307173), wk = 0.0035461 k( 100) = ( -0.1220028 0.1220028 0.1220028), wk = 0.0035461 k( 101) = ( -0.1132883 0.1132883 0.1132883), wk = 0.0035461 k( 102) = ( -0.1045738 0.1045738 0.1045738), wk = 0.0035461 k( 103) = ( -0.0958593 0.0958594 0.0958593), wk = 0.0035461 k( 104) = ( -0.0871449 0.0871449 0.0871449), wk = 0.0035461 k( 105) = ( -0.0784304 0.0784304 0.0784304), wk = 0.0035461 k( 106) = ( -0.0697159 0.0697159 0.0697159), wk = 0.0035461 k( 107) = ( -0.0610014 0.0610014 0.0610014), wk = 0.0035461 k( 108) = ( -0.0522869 0.0522869 0.0522869), wk = 0.0035461 k( 109) = ( -0.0435724 0.0435724 0.0435724), wk = 0.0035461 k( 110) = ( -0.0348579 0.0348579 0.0348579), wk = 0.0035461 k( 111) = ( -0.0261435 0.0261435 0.0261435), wk = 0.0035461 k( 112) = ( -0.0174290 0.0174290 0.0174290), wk = 0.0035461 k( 113) = ( -0.0087145 0.0087145 0.0087145), wk = 0.0035461 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 116) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0035461 k( 117) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0035461 k( 118) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0035461 k( 119) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0035461 k( 120) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0035461 k( 121) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0035461 k( 122) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0035461 k( 123) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0035461 k( 124) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0035461 k( 125) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0035461 k( 126) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0035461 k( 127) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0035461 k( 128) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0035461 k( 129) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0035461 k( 130) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0035461 k( 131) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0035461 k( 132) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0035461 k( 133) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0035461 k( 134) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0035461 k( 135) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0035461 k( 136) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0035461 k( 137) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0035461 k( 138) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0035461 k( 139) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0035461 k( 140) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0035461 k( 141) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0035461 k( 142) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0035461 k( 143) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0035461 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035461 k( 145) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035461 k( 146) = ( 0.4915328 0.5084672 -0.4915328), wk = 0.0035461 k( 147) = ( 0.4830656 0.5169344 -0.4830656), wk = 0.0035461 k( 148) = ( 0.4745984 0.5254016 -0.4745984), wk = 0.0035461 k( 149) = ( 0.4661312 0.5338688 -0.4661312), wk = 0.0035461 k( 150) = ( 0.4576640 0.5423360 -0.4576640), wk = 0.0035461 k( 151) = ( 0.4491968 0.5508032 -0.4491968), wk = 0.0035461 k( 152) = ( 0.4407296 0.5592704 -0.4407296), wk = 0.0035461 k( 153) = ( 0.4322624 0.5677376 -0.4322624), wk = 0.0035461 k( 154) = ( 0.4237952 0.5762048 -0.4237952), wk = 0.0035461 k( 155) = ( 0.4153280 0.5846720 -0.4153280), wk = 0.0035461 k( 156) = ( 0.4068607 0.5931393 -0.4068608), wk = 0.0035461 k( 157) = ( 0.3983935 0.6016065 -0.3983936), wk = 0.0035461 k( 158) = ( 0.3899263 0.6100737 -0.3899264), wk = 0.0035461 k( 159) = ( 0.3814591 0.6185409 -0.3814591), wk = 0.0035461 k( 160) = ( 0.3729919 0.6270081 -0.3729919), wk = 0.0035461 k( 161) = ( 0.3645247 0.6354753 -0.3645247), wk = 0.0035461 k( 162) = ( 0.3560575 0.6439425 -0.3560575), wk = 0.0035461 k( 163) = ( 0.3475903 0.6524097 -0.3475903), wk = 0.0035461 k( 164) = ( 0.3391231 0.6608769 -0.3391231), wk = 0.0035461 k( 165) = ( 0.3306559 0.6693441 -0.3306559), wk = 0.0035461 k( 166) = ( 0.3221887 0.6778113 -0.3221887), wk = 0.0035461 k( 167) = ( 0.3137215 0.6862785 -0.3137215), wk = 0.0035461 k( 168) = ( 0.3137215 0.6862785 -0.3137215), wk = 0.0035461 k( 169) = ( 0.2952673 0.6753209 -0.2952673), wk = 0.0035461 k( 170) = ( 0.2768131 0.6643634 -0.2768131), wk = 0.0035461 k( 171) = ( 0.2583589 0.6534058 -0.2583589), wk = 0.0035461 k( 172) = ( 0.2399047 0.6424483 -0.2399047), wk = 0.0035461 k( 173) = ( 0.2214505 0.6314907 -0.2214505), wk = 0.0035461 k( 174) = ( 0.2029963 0.6205331 -0.2029963), wk = 0.0035461 k( 175) = ( 0.1845421 0.6095756 -0.1845421), wk = 0.0035461 k( 176) = ( 0.1660879 0.5986180 -0.1660879), wk = 0.0035461 k( 177) = ( 0.1476337 0.5876605 -0.1476337), wk = 0.0035461 k( 178) = ( 0.1291794 0.5767029 -0.1291794), wk = 0.0035461 k( 179) = ( 0.1107252 0.5657454 -0.1107252), wk = 0.0035461 k( 180) = ( 0.0922710 0.5547878 -0.0922710), wk = 0.0035461 k( 181) = ( 0.0738168 0.5438302 -0.0738168), wk = 0.0035461 k( 182) = ( 0.0553626 0.5328727 -0.0553626), wk = 0.0035461 k( 183) = ( 0.0369084 0.5219151 -0.0369084), wk = 0.0035461 k( 184) = ( 0.0184542 0.5109576 -0.0184542), wk = 0.0035461 k( 185) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035461 k( 186) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035461 k( 187) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035461 k( 188) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035461 k( 189) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035461 k( 190) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035461 k( 191) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0035461 k( 192) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035461 k( 193) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035461 k( 194) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035461 k( 195) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035461 k( 196) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035461 k( 197) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035461 k( 198) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035461 k( 199) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035461 k( 200) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035461 k( 201) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035461 k( 202) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035461 k( 203) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035461 k( 204) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035461 k( 205) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035461 k( 206) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035461 k( 207) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035461 k( 208) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035461 k( 209) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035461 k( 210) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0035461 k( 211) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035461 k( 212) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035461 k( 213) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035461 k( 214) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035461 k( 215) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035461 k( 216) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035461 k( 217) = ( 0.2638889 0.2638889 0.2290309), wk = 0.0035461 k( 218) = ( 0.2777778 0.2777778 0.2080619), wk = 0.0035461 k( 219) = ( 0.2916667 0.2916667 0.1870928), wk = 0.0035461 k( 220) = ( 0.3055556 0.3055556 0.1661238), wk = 0.0035461 k( 221) = ( 0.3194444 0.3194444 0.1451547), wk = 0.0035461 k( 222) = ( 0.3333333 0.3333333 0.1241857), wk = 0.0035461 k( 223) = ( 0.3472222 0.3472222 0.1032166), wk = 0.0035461 k( 224) = ( 0.3611111 0.3611111 0.0822476), wk = 0.0035461 k( 225) = ( 0.3750000 0.3750000 0.0612785), wk = 0.0035461 k( 226) = ( 0.3888889 0.3888889 0.0403094), wk = 0.0035461 k( 227) = ( 0.4027778 0.4027778 0.0193404), wk = 0.0035461 k( 228) = ( 0.4166667 0.4166667 -0.0016287), wk = 0.0035461 k( 229) = ( 0.4305556 0.4305556 -0.0225977), wk = 0.0035461 k( 230) = ( 0.4444444 0.4444444 -0.0435668), wk = 0.0035461 k( 231) = ( 0.4583333 0.4583333 -0.0645358), wk = 0.0035461 k( 232) = ( 0.4722222 0.4722222 -0.0855049), wk = 0.0035461 k( 233) = ( 0.4861111 0.4861111 -0.1064740), wk = 0.0035461 k( 234) = ( 0.5000000 0.5000000 -0.1274430), wk = 0.0035461 k( 235) = ( 0.5000000 0.5000000 -0.1274430), wk = 0.0035461 k( 236) = ( 0.5000000 0.5000000 -0.1394610), wk = 0.0035461 k( 237) = ( 0.5000000 0.5000000 -0.1514790), wk = 0.0035461 k( 238) = ( 0.5000000 0.5000000 -0.1634969), wk = 0.0035461 k( 239) = ( 0.5000000 0.5000000 -0.1755149), wk = 0.0035461 k( 240) = ( 0.5000000 0.5000000 -0.1875329), wk = 0.0035461 k( 241) = ( 0.5000000 0.5000000 -0.1995508), wk = 0.0035461 k( 242) = ( 0.5000000 0.5000000 -0.2115688), wk = 0.0035461 k( 243) = ( 0.5000000 0.5000000 -0.2235868), wk = 0.0035461 k( 244) = ( 0.5000000 0.5000000 -0.2356047), wk = 0.0035461 k( 245) = ( 0.5000000 0.5000000 -0.2476227), wk = 0.0035461 k( 246) = ( 0.5000000 0.5000000 -0.2596407), wk = 0.0035461 k( 247) = ( 0.5000000 0.5000000 -0.2716586), wk = 0.0035461 k( 248) = ( 0.5000000 0.5000000 -0.2836766), wk = 0.0035461 k( 249) = ( 0.5000000 0.5000000 -0.2956946), wk = 0.0035461 k( 250) = ( 0.5000000 0.5000000 -0.3077125), wk = 0.0035461 k( 251) = ( 0.5000000 0.5000000 -0.3197305), wk = 0.0035461 k( 252) = ( 0.5000000 0.5000000 -0.3317485), wk = 0.0035461 k( 253) = ( 0.5000000 0.5000000 -0.3437664), wk = 0.0035461 k( 254) = ( 0.5000000 0.5000000 -0.3557844), wk = 0.0035461 k( 255) = ( 0.5000000 0.5000000 -0.3678024), wk = 0.0035461 k( 256) = ( 0.5000000 0.5000000 -0.3798203), wk = 0.0035461 k( 257) = ( 0.5000000 0.5000000 -0.3918383), wk = 0.0035461 k( 258) = ( 0.5000000 0.5000000 -0.4038563), wk = 0.0035461 k( 259) = ( 0.5000000 0.5000000 -0.4158742), wk = 0.0035461 k( 260) = ( 0.5000000 0.5000000 -0.4278922), wk = 0.0035461 k( 261) = ( 0.5000000 0.5000000 -0.4399102), wk = 0.0035461 k( 262) = ( 0.5000000 0.5000000 -0.4519281), wk = 0.0035461 k( 263) = ( 0.5000000 0.5000000 -0.4639461), wk = 0.0035461 k( 264) = ( 0.5000000 0.5000000 -0.4759641), wk = 0.0035461 k( 265) = ( 0.5000000 0.5000000 -0.4879820), wk = 0.0035461 k( 266) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035461 k( 267) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 268) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0035461 k( 269) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0035461 k( 270) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035461 k( 271) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0035461 k( 272) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035461 k( 273) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035461 k( 274) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0035461 k( 275) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0035461 k( 276) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035461 k( 277) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035461 k( 278) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0035461 k( 279) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035461 k( 280) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0035461 k( 281) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0035461 k( 282) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035461 Dense grid: 86255 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 45419 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 258, 50) NL pseudopotentials 0.26 Mb ( 129, 130) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1797) G-vector shells 0.01 Mb ( 855) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 258, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Al2ZnSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.8 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.1 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.4 secs Computing kpt #: 5 total cpu time spent up to now is 72.4 secs Computing kpt #: 6 total cpu time spent up to now is 76.8 secs Computing kpt #: 7 total cpu time spent up to now is 81.4 secs Computing kpt #: 8 total cpu time spent up to now is 85.5 secs Computing kpt #: 9 total cpu time spent up to now is 89.1 secs Computing kpt #: 10 total cpu time spent up to now is 92.4 secs Computing kpt #: 11 total cpu time spent up to now is 95.4 secs Computing kpt #: 12 total cpu time spent up to now is 99.9 secs Computing kpt #: 13 total cpu time spent up to now is 103.1 secs Computing kpt #: 14 total cpu time spent up to now is 105.8 secs Computing kpt #: 15 total cpu time spent up to now is 108.4 secs Computing kpt #: 16 total cpu time spent up to now is 111.3 secs Computing kpt #: 17 total cpu time spent up to now is 114.4 secs Computing kpt #: 18 total cpu time spent up to now is 117.6 secs Computing kpt #: 19 total cpu time spent up to now is 121.5 secs Computing kpt #: 20 total cpu time spent up to now is 125.5 secs Computing kpt #: 21 total cpu time spent up to now is 129.6 secs Computing kpt #: 22 total cpu time spent up to now is 133.3 secs Computing kpt #: 23 total cpu time spent up to now is 136.8 secs Computing kpt #: 24 total cpu time spent up to now is 140.1 secs Computing kpt #: 25 total cpu time spent up to now is 143.5 secs Computing kpt #: 26 total cpu time spent up to now is 146.8 secs Computing kpt #: 27 total cpu time spent up to now is 150.2 secs Computing kpt #: 28 total cpu time spent up to now is 153.5 secs Computing kpt #: 29 total cpu time spent up to now is 156.8 secs Computing kpt #: 30 total cpu time spent up to now is 160.9 secs Computing kpt #: 31 total cpu time spent up to now is 165.1 secs Computing kpt #: 32 total cpu time spent up to now is 168.9 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.2 secs Computing kpt #: 34 total cpu time spent up to now is 178.1 secs Computing kpt #: 35 total cpu time spent up to now is 181.6 secs Computing kpt #: 36 total cpu time spent up to now is 185.3 secs Computing kpt #: 37 total cpu time spent up to now is 188.8 secs Computing kpt #: 38 total cpu time spent up to now is 192.1 secs Computing kpt #: 39 total cpu time spent up to now is 195.3 secs Computing kpt #: 40 total cpu time spent up to now is 198.4 secs Computing kpt #: 41 total cpu time spent up to now is 201.5 secs Computing kpt #: 42 total cpu time spent up to now is 204.2 secs Computing kpt #: 43 total cpu time spent up to now is 207.3 secs Computing kpt #: 44 total cpu time spent up to now is 210.5 secs Computing kpt #: 45 total cpu time spent up to now is 213.3 secs Computing kpt #: 46 total cpu time spent up to now is 216.4 secs Computing kpt #: 47 total cpu time spent up to now is 219.8 secs Computing kpt #: 48 total cpu time spent up to now is 223.5 secs Computing kpt #: 49 total cpu time spent up to now is 227.3 secs Computing kpt #: 50 total cpu time spent up to now is 231.1 secs Computing kpt #: 51 total cpu time spent up to now is 235.0 secs Computing kpt #: 52 total cpu time spent up to now is 238.8 secs Computing kpt #: 53 total cpu time spent up to now is 242.3 secs Computing kpt #: 54 total cpu time spent up to now is 245.4 secs Computing kpt #: 55 total cpu time spent up to now is 248.6 secs Computing kpt #: 56 total cpu time spent up to now is 251.6 secs Computing kpt #: 57 total cpu time spent up to now is 254.5 secs Computing kpt #: 58 total cpu time spent up to now is 257.6 secs Computing kpt #: 59 total cpu time spent up to now is 261.0 secs Computing kpt #: 60 total cpu time spent up to now is 264.2 secs Computing kpt #: 61 total cpu time spent up to now is 267.3 secs Computing kpt #: 62 total cpu time spent up to now is 270.5 secs Computing kpt #: 63 total cpu time spent up to now is 275.9 secs Computing kpt #: 64 total cpu time spent up to now is 280.0 secs Computing kpt #: 65 total cpu time spent up to now is 283.5 secs Computing kpt #: 66 total cpu time spent up to now is 286.7 secs Computing kpt #: 67 total cpu time spent up to now is 290.0 secs Computing kpt #: 68 total cpu time spent up to now is 293.2 secs Computing kpt #: 69 total cpu time spent up to now is 296.1 secs Computing kpt #: 70 total cpu time spent up to now is 298.7 secs Computing kpt #: 71 total cpu time spent up to now is 301.2 secs Computing kpt #: 72 total cpu time spent up to now is 303.8 secs Computing kpt #: 73 total cpu time spent up to now is 306.3 secs Computing kpt #: 74 total cpu time spent up to now is 308.9 secs Computing kpt #: 75 total cpu time spent up to now is 311.5 secs Computing kpt #: 76 total cpu time spent up to now is 314.1 secs Computing kpt #: 77 total cpu time spent up to now is 316.8 secs Computing kpt #: 78 total cpu time spent up to now is 319.5 secs Computing kpt #: 79 total cpu time spent up to now is 322.0 secs Computing kpt #: 80 total cpu time spent up to now is 324.8 secs Computing kpt #: 81 total cpu time spent up to now is 327.4 secs Computing kpt #: 82 total cpu time spent up to now is 329.9 secs Computing kpt #: 83 total cpu time spent up to now is 332.5 secs Computing kpt #: 84 total cpu time spent up to now is 335.7 secs Computing kpt #: 85 total cpu time spent up to now is 338.3 secs Computing kpt #: 86 total cpu time spent up to now is 340.9 secs Computing kpt #: 87 total cpu time spent up to now is 343.5 secs Computing kpt #: 88 total cpu time spent up to now is 346.1 secs Computing kpt #: 89 total cpu time spent up to now is 349.0 secs Computing kpt #: 90 total cpu time spent up to now is 352.2 secs Computing kpt #: 91 total cpu time spent up to now is 355.5 secs Computing kpt #: 92 total cpu time spent up to now is 358.8 secs Computing kpt #: 93 total cpu time spent up to now is 361.5 secs Computing kpt #: 94 total cpu time spent up to now is 364.1 secs Computing kpt #: 95 total cpu time spent up to now is 367.2 secs Computing kpt #: 96 total cpu time spent up to now is 371.9 secs Computing kpt #: 97 total cpu time spent up to now is 374.6 secs Computing kpt #: 98 total cpu time spent up to now is 377.9 secs Computing kpt #: 99 total cpu time spent up to now is 380.5 secs Computing kpt #: 100 total cpu time spent up to now is 383.2 secs Computing kpt #: 101 total cpu time spent up to now is 386.3 secs Computing kpt #: 102 total cpu time spent up to now is 389.1 secs Computing kpt #: 103 total cpu time spent up to now is 393.7 secs Computing kpt #: 104 total cpu time spent up to now is 396.8 secs Computing kpt #: 105 total cpu time spent up to now is 400.3 secs Computing kpt #: 106 total cpu time spent up to now is 403.7 secs Computing kpt #: 107 total cpu time spent up to now is 407.6 secs Computing kpt #: 108 total cpu time spent up to now is 412.2 secs Computing kpt #: 109 total cpu time spent up to now is 416.5 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 421.7 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.5 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.9 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.2 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.4 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.9 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.5 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 468.4 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 473.7 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 479.0 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.4 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.0 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.4 secs Computing kpt #: 124 total cpu time spent up to now is 499.4 secs Computing kpt #: 125 total cpu time spent up to now is 502.7 secs Computing kpt #: 126 total cpu time spent up to now is 506.0 secs Computing kpt #: 127 total cpu time spent up to now is 509.3 secs Computing kpt #: 128 total cpu time spent up to now is 512.0 secs Computing kpt #: 129 total cpu time spent up to now is 514.6 secs Computing kpt #: 130 total cpu time spent up to now is 517.3 secs Computing kpt #: 131 total cpu time spent up to now is 520.0 secs Computing kpt #: 132 total cpu time spent up to now is 522.7 secs Computing kpt #: 133 total cpu time spent up to now is 525.8 secs Computing kpt #: 134 total cpu time spent up to now is 528.5 secs Computing kpt #: 135 total cpu time spent up to now is 531.5 secs Computing kpt #: 136 total cpu time spent up to now is 534.0 secs Computing kpt #: 137 total cpu time spent up to now is 536.6 secs Computing kpt #: 138 total cpu time spent up to now is 539.1 secs Computing kpt #: 139 total cpu time spent up to now is 541.5 secs Computing kpt #: 140 total cpu time spent up to now is 544.0 secs Computing kpt #: 141 total cpu time spent up to now is 546.5 secs Computing kpt #: 142 total cpu time spent up to now is 549.0 secs Computing kpt #: 143 total cpu time spent up to now is 551.4 secs Computing kpt #: 144 total cpu time spent up to now is 553.9 secs Computing kpt #: 145 total cpu time spent up to now is 556.3 secs Computing kpt #: 146 total cpu time spent up to now is 558.7 secs Computing kpt #: 147 total cpu time spent up to now is 561.2 secs Computing kpt #: 148 total cpu time spent up to now is 563.8 secs Computing kpt #: 149 total cpu time spent up to now is 566.4 secs Computing kpt #: 150 total cpu time spent up to now is 569.0 secs Computing kpt #: 151 total cpu time spent up to now is 571.5 secs Computing kpt #: 152 total cpu time spent up to now is 574.1 secs Computing kpt #: 153 total cpu time spent up to now is 577.0 secs Computing kpt #: 154 total cpu time spent up to now is 580.8 secs Computing kpt #: 155 total cpu time spent up to now is 583.6 secs Computing kpt #: 156 total cpu time spent up to now is 586.4 secs Computing kpt #: 157 total cpu time spent up to now is 589.3 secs Computing kpt #: 158 total cpu time spent up to now is 592.1 secs Computing kpt #: 159 total cpu time spent up to now is 595.1 secs Computing kpt #: 160 total cpu time spent up to now is 598.0 secs Computing kpt #: 161 total cpu time spent up to now is 600.9 secs Computing kpt #: 162 total cpu time spent up to now is 604.1 secs Computing kpt #: 163 total cpu time spent up to now is 607.0 secs Computing kpt #: 164 total cpu time spent up to now is 609.9 secs Computing kpt #: 165 total cpu time spent up to now is 612.8 secs Computing kpt #: 166 total cpu time spent up to now is 615.4 secs Computing kpt #: 167 total cpu time spent up to now is 617.9 secs Computing kpt #: 168 total cpu time spent up to now is 620.5 secs Computing kpt #: 169 total cpu time spent up to now is 623.0 secs Computing kpt #: 170 total cpu time spent up to now is 625.6 secs Computing kpt #: 171 total cpu time spent up to now is 628.2 secs Computing kpt #: 172 total cpu time spent up to now is 630.7 secs Computing kpt #: 173 total cpu time spent up to now is 633.2 secs Computing kpt #: 174 total cpu time spent up to now is 635.7 secs Computing kpt #: 175 total cpu time spent up to now is 638.3 secs Computing kpt #: 176 total cpu time spent up to now is 642.6 secs Computing kpt #: 177 total cpu time spent up to now is 645.2 secs Computing kpt #: 178 total cpu time spent up to now is 648.2 secs Computing kpt #: 179 total cpu time spent up to now is 654.8 secs Computing kpt #: 180 total cpu time spent up to now is 657.5 secs Computing kpt #: 181 total cpu time spent up to now is 660.2 secs Computing kpt #: 182 total cpu time spent up to now is 662.9 secs Computing kpt #: 183 total cpu time spent up to now is 665.6 secs Computing kpt #: 184 total cpu time spent up to now is 668.4 secs Computing kpt #: 185 total cpu time spent up to now is 671.0 secs Computing kpt #: 186 total cpu time spent up to now is 673.8 secs Computing kpt #: 187 total cpu time spent up to now is 676.6 secs Computing kpt #: 188 total cpu time spent up to now is 679.3 secs Computing kpt #: 189 total cpu time spent up to now is 682.1 secs Computing kpt #: 190 total cpu time spent up to now is 684.9 secs Computing kpt #: 191 total cpu time spent up to now is 688.1 secs Computing kpt #: 192 total cpu time spent up to now is 691.0 secs Computing kpt #: 193 total cpu time spent up to now is 693.8 secs Computing kpt #: 194 total cpu time spent up to now is 696.9 secs Computing kpt #: 195 total cpu time spent up to now is 700.1 secs Computing kpt #: 196 total cpu time spent up to now is 702.9 secs Computing kpt #: 197 total cpu time spent up to now is 705.6 secs Computing kpt #: 198 total cpu time spent up to now is 708.3 secs Computing kpt #: 199 total cpu time spent up to now is 711.0 secs Computing kpt #: 200 total cpu time spent up to now is 713.8 secs Computing kpt #: 201 total cpu time spent up to now is 717.0 secs Computing kpt #: 202 total cpu time spent up to now is 719.8 secs Computing kpt #: 203 total cpu time spent up to now is 722.4 secs Computing kpt #: 204 total cpu time spent up to now is 725.2 secs Computing kpt #: 205 total cpu time spent up to now is 727.8 secs Computing kpt #: 206 total cpu time spent up to now is 730.6 secs Computing kpt #: 207 total cpu time spent up to now is 733.7 secs Computing kpt #: 208 total cpu time spent up to now is 737.0 secs Computing kpt #: 209 total cpu time spent up to now is 740.5 secs Computing kpt #: 210 total cpu time spent up to now is 744.2 secs Computing kpt #: 211 total cpu time spent up to now is 748.0 secs Computing kpt #: 212 total cpu time spent up to now is 751.7 secs Computing kpt #: 213 total cpu time spent up to now is 754.7 secs Computing kpt #: 214 total cpu time spent up to now is 757.9 secs Computing kpt #: 215 total cpu time spent up to now is 762.3 secs Computing kpt #: 216 total cpu time spent up to now is 766.1 secs Computing kpt #: 217 total cpu time spent up to now is 769.2 secs Computing kpt #: 218 total cpu time spent up to now is 772.3 secs Computing kpt #: 219 total cpu time spent up to now is 775.9 secs Computing kpt #: 220 total cpu time spent up to now is 779.6 secs Computing kpt #: 221 total cpu time spent up to now is 783.5 secs Computing kpt #: 222 total cpu time spent up to now is 787.2 secs Computing kpt #: 223 total cpu time spent up to now is 791.1 secs Computing kpt #: 224 total cpu time spent up to now is 797.1 secs Computing kpt #: 225 total cpu time spent up to now is 800.8 secs Computing kpt #: 226 total cpu time spent up to now is 804.6 secs Computing kpt #: 227 total cpu time spent up to now is 808.3 secs Computing kpt #: 228 total cpu time spent up to now is 812.1 secs Computing kpt #: 229 total cpu time spent up to now is 816.2 secs Computing kpt #: 230 total cpu time spent up to now is 820.0 secs Computing kpt #: 231 total cpu time spent up to now is 823.7 secs Computing kpt #: 232 total cpu time spent up to now is 827.2 secs Computing kpt #: 233 total cpu time spent up to now is 830.6 secs Computing kpt #: 234 total cpu time spent up to now is 833.9 secs Computing kpt #: 235 total cpu time spent up to now is 837.5 secs Computing kpt #: 236 total cpu time spent up to now is 840.7 secs Computing kpt #: 237 total cpu time spent up to now is 843.6 secs Computing kpt #: 238 total cpu time spent up to now is 846.8 secs Computing kpt #: 239 total cpu time spent up to now is 850.1 secs Computing kpt #: 240 total cpu time spent up to now is 853.2 secs Computing kpt #: 241 total cpu time spent up to now is 856.5 secs Computing kpt #: 242 total cpu time spent up to now is 859.1 secs Computing kpt #: 243 total cpu time spent up to now is 861.7 secs Computing kpt #: 244 total cpu time spent up to now is 864.5 secs Computing kpt #: 245 total cpu time spent up to now is 867.4 secs Computing kpt #: 246 total cpu time spent up to now is 870.7 secs Computing kpt #: 247 total cpu time spent up to now is 873.9 secs Computing kpt #: 248 total cpu time spent up to now is 877.5 secs Computing kpt #: 249 total cpu time spent up to now is 882.3 secs Computing kpt #: 250 total cpu time spent up to now is 885.6 secs Computing kpt #: 251 total cpu time spent up to now is 888.6 secs Computing kpt #: 252 total cpu time spent up to now is 891.6 secs Computing kpt #: 253 total cpu time spent up to now is 894.7 secs Computing kpt #: 254 total cpu time spent up to now is 897.7 secs Computing kpt #: 255 total cpu time spent up to now is 900.9 secs Computing kpt #: 256 total cpu time spent up to now is 903.7 secs Computing kpt #: 257 total cpu time spent up to now is 906.3 secs Computing kpt #: 258 total cpu time spent up to now is 908.8 secs Computing kpt #: 259 total cpu time spent up to now is 911.3 secs Computing kpt #: 260 total cpu time spent up to now is 913.9 secs Computing kpt #: 261 total cpu time spent up to now is 916.4 secs Computing kpt #: 262 total cpu time spent up to now is 918.9 secs Computing kpt #: 263 total cpu time spent up to now is 921.4 secs Computing kpt #: 264 total cpu time spent up to now is 924.0 secs Computing kpt #: 265 total cpu time spent up to now is 926.4 secs Computing kpt #: 266 total cpu time spent up to now is 928.8 secs Computing kpt #: 267 total cpu time spent up to now is 931.9 secs Computing kpt #: 268 total cpu time spent up to now is 935.0 secs Computing kpt #: 269 total cpu time spent up to now is 938.0 secs Computing kpt #: 270 total cpu time spent up to now is 941.1 secs Computing kpt #: 271 total cpu time spent up to now is 944.2 secs Computing kpt #: 272 total cpu time spent up to now is 947.3 secs Computing kpt #: 273 total cpu time spent up to now is 950.3 secs Computing kpt #: 274 total cpu time spent up to now is 953.4 secs Computing kpt #: 275 total cpu time spent up to now is 956.8 secs Computing kpt #: 276 total cpu time spent up to now is 960.0 secs Computing kpt #: 277 total cpu time spent up to now is 963.3 secs Computing kpt #: 278 total cpu time spent up to now is 966.3 secs Computing kpt #: 279 total cpu time spent up to now is 969.3 secs Computing kpt #: 280 total cpu time spent up to now is 972.3 secs Computing kpt #: 281 total cpu time spent up to now is 975.3 secs Computing kpt #: 282 total cpu time spent up to now is 980.2 secs ethr = 2.38E-11, avg # of iterations = 47.4 total cpu time spent up to now is 980.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5701 PWs) bands (ev): -8.6309 -8.6309 -7.2239 -7.2239 -7.2224 -7.2224 -7.2197 -7.2197 -1.7360 -1.7360 -1.6839 -1.6839 -1.4637 -1.4637 -1.3700 -1.3700 -1.3353 -1.3353 -0.8496 -0.8496 -0.2551 -0.2551 1.1373 1.1373 1.4670 1.4670 1.5411 1.5411 1.7277 1.7277 1.9595 1.9595 2.8740 2.8740 2.9921 2.9921 4.2753 4.2753 4.6407 4.6407 4.6653 4.6653 7.0292 7.0292 7.3590 7.3590 8.5074 8.5074 9.7754 9.7754 k = 0.0000 0.0000 0.0210 ( 5699 PWs) bands (ev): -8.6302 -8.6302 -7.2247 -7.2245 -7.2231 -7.2231 -7.2195 -7.2194 -1.7377 -1.7340 -1.6842 -1.6835 -1.4666 -1.4605 -1.3719 -1.3683 -1.3367 -1.3339 -0.8504 -0.8486 -0.2575 -0.2519 1.1264 1.1428 1.4444 1.4877 1.5233 1.5566 1.7148 1.7518 1.9559 1.9677 2.8704 2.8766 2.9908 2.9914 4.2697 4.2753 4.6355 4.6396 4.6609 4.6614 7.0369 7.0384 7.3637 7.3638 8.5093 8.5139 9.7676 9.7738 k = 0.0000 0.0000 0.0420 ( 5699 PWs) bands (ev): -8.6278 -8.6278 -7.2269 -7.2266 -7.2249 -7.2248 -7.2191 -7.2189 -1.7392 -1.7319 -1.6846 -1.6831 -1.4694 -1.4572 -1.3739 -1.3668 -1.3380 -1.3326 -0.8509 -0.8473 -0.2590 -0.2480 1.1116 1.1428 1.4171 1.4970 1.5110 1.5753 1.7163 1.7818 1.9572 1.9796 2.8652 2.8783 2.9883 2.9893 4.2578 4.2698 4.6192 4.6297 4.6515 4.6538 7.0611 7.0637 7.3781 7.3781 8.5196 8.5287 9.7513 9.7688 k = 0.0000 0.0000 0.0630 ( 5699 PWs) bands (ev): -8.6240 -8.6240 -7.2303 -7.2300 -7.2275 -7.2274 -7.2187 -7.2185 -1.7404 -1.7297 -1.6848 -1.6827 -1.4719 -1.4538 -1.3760 -1.3656 -1.3392 -1.3315 -0.8512 -0.8459 -0.2600 -0.2437 1.0951 1.1386 1.3848 1.4630 1.5379 1.5991 1.7302 1.8135 1.9632 1.9938 2.8575 2.8782 2.9861 2.9877 4.2387 4.2583 4.5891 4.6062 4.6442 4.6473 7.1000 7.1030 7.4020 7.4026 8.5382 8.5520 9.7295 9.7582 k = 0.0000 0.0000 0.0839 ( 5691 PWs) bands (ev): -8.6186 -8.6186 -7.2349 -7.2346 -7.2310 -7.2309 -7.2185 -7.2183 -1.7413 -1.7274 -1.6849 -1.6824 -1.4740 -1.4504 -1.3781 -1.3649 -1.3402 -1.3304 -0.8512 -0.8444 -0.2606 -0.2394 1.0793 1.1323 1.3489 1.4233 1.5692 1.6273 1.7525 1.8450 1.9723 2.0086 2.8467 2.8753 2.9861 2.9892 4.2109 4.2399 4.5485 4.5734 4.6379 4.6412 7.1508 7.1529 7.4358 7.4379 8.5651 8.5835 9.7033 9.7415 k = 0.0000 0.0000 0.1049 ( 5683 PWs) bands (ev): -8.6117 -8.6116 -7.2406 -7.2404 -7.2355 -7.2353 -7.2183 -7.2180 -1.7420 -1.7252 -1.6849 -1.6820 -1.4757 -1.4470 -1.3802 -1.3646 -1.3408 -1.3295 -0.8509 -0.8428 -0.2612 -0.2356 1.0659 1.1262 1.3107 1.3808 1.6032 1.6580 1.7808 1.8761 1.9824 2.0223 2.8336 2.8692 2.9903 2.9947 4.1730 4.2131 4.5018 4.5361 4.6312 4.6347 7.2092 7.2099 7.4805 7.4849 8.6001 8.6233 9.6735 9.7195 k = 0.0000 0.0000 0.1259 ( 5681 PWs) bands (ev): -8.6032 -8.6032 -7.2476 -7.2474 -7.2408 -7.2406 -7.2182 -7.2179 -1.7424 -1.7232 -1.6847 -1.6817 -1.4770 -1.4437 -1.3822 -1.3649 -1.3410 -1.3287 -0.8505 -0.8411 -0.2623 -0.2328 1.0567 1.1220 1.2715 1.3375 1.6379 1.6894 1.8137 1.9073 1.9907 2.0335 2.8205 2.8613 2.9997 3.0046 4.1241 4.1762 4.4532 4.4979 4.6238 4.6276 7.2683 7.2721 7.5371 7.5445 8.6430 8.6711 9.6411 9.6933 k = 0.0000 0.0000 0.1469 ( 5685 PWs) bands (ev): -8.5933 -8.5933 -7.2557 -7.2554 -7.2470 -7.2467 -7.2182 -7.2178 -1.7425 -1.7215 -1.6845 -1.6813 -1.4777 -1.4405 -1.3840 -1.3655 -1.3407 -1.3280 -0.8500 -0.8396 -0.2645 -0.2317 1.0527 1.1209 1.2322 1.2950 1.6708 1.7199 1.8505 1.9390 1.9947 2.0414 2.8099 2.8539 3.0136 3.0184 4.0643 4.1281 4.4059 4.4605 4.6159 4.6201 7.3263 7.3340 7.6063 7.6166 8.6936 8.7269 9.6070 9.6640 k = 0.0000 0.0000 0.1679 ( 5677 PWs) bands (ev): -8.5819 -8.5819 -7.2648 -7.2645 -7.2540 -7.2537 -7.2183 -7.2178 -1.7425 -1.7201 -1.6841 -1.6808 -1.4778 -1.4374 -1.3856 -1.3665 -1.3401 -1.3273 -0.8494 -0.8382 -0.2680 -0.2328 1.0545 1.1228 1.1944 1.2554 1.6993 1.7475 1.8904 1.9694 1.9951 2.0471 2.8046 2.8497 3.0310 3.0356 3.9950 4.0691 4.3618 4.4243 4.6076 4.6123 7.3817 7.3930 7.6873 7.6997 8.7516 8.7902 9.5720 9.6325 k = 0.0000 0.0000 0.1889 ( 5673 PWs) bands (ev): -8.5691 -8.5690 -7.2749 -7.2746 -7.2618 -7.2615 -7.2185 -7.2179 -1.7422 -1.7190 -1.6838 -1.6800 -1.4774 -1.4346 -1.3870 -1.3677 -1.3391 -1.3267 -0.8488 -0.8370 -0.2734 -0.2367 1.0615 1.1242 1.1607 1.2228 1.7198 1.7688 1.9317 1.9805 2.0096 2.0559 2.8064 2.8502 3.0506 3.0559 3.9185 4.0016 4.3205 4.3889 4.5994 4.6045 7.4343 7.4483 7.7777 7.7909 8.8166 8.8608 9.5366 9.5997 k = 0.0000 0.0000 0.2099 ( 5673 PWs) bands (ev): -8.5548 -8.5547 -7.2859 -7.2856 -7.2703 -7.2699 -7.2189 -7.2183 -1.7417 -1.7184 -1.6837 -1.6789 -1.4763 -1.4319 -1.3880 -1.3689 -1.3379 -1.3261 -0.8483 -0.8361 -0.2809 -0.2435 1.0675 1.1143 1.1397 1.2080 1.7286 1.7774 1.9705 1.9784 2.0335 2.0786 2.8158 2.8561 3.0714 3.0786 3.8374 3.9289 4.2808 4.3534 4.5913 4.5967 7.4847 7.5006 7.8739 7.8865 8.8881 8.9380 9.5014 9.5662 k = 0.0000 0.0000 0.2309 ( 5657 PWs) bands (ev): -8.5391 -8.5391 -7.2978 -7.2974 -7.2795 -7.2791 -7.2195 -7.2188 -1.7412 -1.7181 -1.6837 -1.6775 -1.4745 -1.4295 -1.3888 -1.3700 -1.3365 -1.3255 -0.8480 -0.8356 -0.2907 -0.2535 1.0558 1.0934 1.1411 1.2185 1.7225 1.7663 1.9837 2.0006 2.0628 2.1157 2.8323 2.8672 3.0923 3.1027 3.7546 3.8548 4.2416 4.3172 4.5836 4.5892 7.5335 7.5507 7.9723 7.9832 8.9650 9.0207 9.4670 9.5330 k = 0.0000 0.0000 0.2518 ( 5665 PWs) bands (ev): -8.5221 -8.5220 -7.3104 -7.3100 -7.2892 -7.2888 -7.2203 -7.2196 -1.7405 -1.7182 -1.6839 -1.6760 -1.4721 -1.4273 -1.3892 -1.3709 -1.3351 -1.3249 -0.8480 -0.8357 -0.3028 -0.2666 1.0292 1.0646 1.1677 1.2465 1.7004 1.7342 2.0007 2.0225 2.1047 2.1593 2.8547 2.8822 3.1124 3.1268 3.6733 3.7830 4.2018 4.2796 4.5763 4.5819 7.5814 7.5993 8.0697 8.0780 9.0460 9.1069 9.4345 9.5014 k = 0.0000 0.0000 0.2728 ( 5666 PWs) bands (ev): -8.5037 -8.5036 -7.3237 -7.3232 -7.2995 -7.2991 -7.2215 -7.2207 -1.7397 -1.7185 -1.6841 -1.6744 -1.4692 -1.4254 -1.3895 -1.3715 -1.3336 -1.3243 -0.8485 -0.8362 -0.3172 -0.2825 1.0002 1.0335 1.2082 1.2853 1.6639 1.6866 2.0255 2.0443 2.1533 2.2059 2.8811 2.8993 3.1304 3.1489 3.5974 3.7169 4.1611 4.2405 4.5694 4.5750 7.6288 7.6470 8.1631 8.1689 9.1275 9.1912 9.4066 9.4746 k = 0.0000 0.0000 0.2938 ( 5670 PWs) bands (ev): -8.4840 -8.4840 -7.3375 -7.3370 -7.3103 -7.3098 -7.2230 -7.2221 -1.7390 -1.7191 -1.6844 -1.6728 -1.4657 -1.4237 -1.3895 -1.3717 -1.3321 -1.3237 -0.8494 -0.8375 -0.3337 -0.3010 0.9721 1.0030 1.2577 1.3325 1.6160 1.6305 2.0535 2.0683 2.2046 2.2539 2.9088 2.9167 3.1454 3.1660 3.5320 3.6604 4.1194 4.1999 4.5630 4.5684 7.6760 7.6942 8.2497 8.2545 9.1999 9.2592 9.3924 9.4640 k = 0.0000 0.0000 0.3148 ( 5672 PWs) bands (ev): -8.4631 -8.4631 -7.3519 -7.3514 -7.3215 -7.3209 -7.2249 -7.2240 -1.7382 -1.7198 -1.6847 -1.6712 -1.4618 -1.4221 -1.3894 -1.3716 -1.3306 -1.3230 -0.8508 -0.8394 -0.3519 -0.3216 0.9458 0.9739 1.3137 1.3862 1.5586 1.5731 2.0812 2.0939 2.2568 2.3021 2.9277 2.9393 3.1563 3.1753 3.4838 3.6163 4.0772 4.1580 4.5569 4.5622 7.7231 7.7413 8.3274 8.3343 9.2367 9.2846 9.4138 9.4949 k = 0.0000 0.0000 0.3358 ( 5688 PWs) bands (ev): -8.4410 -8.4410 -7.3666 -7.3661 -7.3330 -7.3324 -7.2273 -7.2263 -1.7375 -1.7206 -1.6851 -1.6698 -1.4576 -1.4207 -1.3892 -1.3711 -1.3291 -1.3223 -0.8530 -0.8420 -0.3717 -0.3440 0.9215 0.9467 1.3709 1.4380 1.5034 1.5209 2.1058 2.1198 2.3090 2.3493 2.9357 2.9631 3.1602 3.1802 3.4583 3.5859 4.0353 4.1153 4.5512 4.5563 7.7704 7.7883 8.3962 8.4065 9.2258 9.2695 9.4763 9.5652 k = 0.0000 0.0000 0.3568 ( 5688 PWs) bands (ev): -8.4178 -8.4177 -7.3816 -7.3811 -7.3447 -7.3442 -7.2301 -7.2291 -1.7367 -1.7215 -1.6853 -1.6685 -1.4532 -1.4194 -1.3887 -1.3703 -1.3278 -1.3215 -0.8557 -0.8454 -0.3927 -0.3675 0.8987 0.9212 1.3929 1.4225 1.4999 1.5295 2.1252 2.1437 2.3600 2.3942 2.9369 2.9788 3.1568 3.1906 3.4545 3.5678 3.9950 4.0726 4.5458 4.5506 7.8180 7.8355 8.4562 8.4702 9.1929 9.2332 9.5556 9.6453 k = 0.0000 0.0000 0.3778 ( 5686 PWs) bands (ev): -8.3934 -8.3933 -7.3969 -7.3963 -7.3567 -7.3561 -7.2336 -7.2325 -1.7361 -1.7224 -1.6856 -1.6674 -1.4487 -1.4180 -1.3880 -1.3693 -1.3265 -1.3205 -0.8592 -0.8494 -0.4145 -0.3919 0.8763 0.8975 1.3383 1.3783 1.5533 1.5993 2.1375 2.1628 2.4090 2.4353 2.9342 2.9827 3.1595 3.2071 3.4654 3.5582 3.9583 4.0309 4.5407 4.5453 7.8660 7.8831 8.5076 8.5252 9.1504 9.1859 9.6347 9.7146 k = 0.0000 0.0000 0.3988 ( 5690 PWs) bands (ev): -8.3680 -8.3679 -7.4123 -7.4117 -7.3687 -7.3682 -7.2376 -7.2366 -1.7355 -1.7234 -1.6858 -1.6665 -1.4445 -1.4167 -1.3869 -1.3681 -1.3253 -1.3196 -0.8634 -0.8541 -0.4369 -0.4167 0.8523 0.8754 1.2737 1.3283 1.6309 1.6769 2.1405 2.1737 2.4550 2.4718 2.9332 2.9796 3.1741 3.2282 3.4834 3.5518 3.9275 3.9916 4.5357 4.5401 7.9143 7.9309 8.5506 8.5717 9.1012 9.1310 9.7018 9.7471 k = 0.0000 0.0000 0.4197 ( 5690 PWs) bands (ev): -8.3416 -8.3416 -7.4277 -7.4271 -7.3809 -7.3803 -7.2424 -7.2413 -1.7350 -1.7243 -1.6859 -1.6658 -1.4405 -1.4154 -1.3854 -1.3670 -1.3243 -1.3185 -0.8681 -0.8594 -0.4596 -0.4413 0.8251 0.8537 1.2123 1.2819 1.7160 1.7590 2.1324 2.1735 2.4979 2.5037 2.9394 2.9790 3.1966 3.2523 3.5027 3.5443 3.9054 3.9568 4.5310 4.5352 7.9631 7.9791 8.5858 8.6099 9.0460 9.0695 9.7375 9.7551 k = 0.0000 0.0000 0.4407 ( 5686 PWs) bands (ev): -8.3144 -8.3143 -7.4431 -7.4425 -7.3930 -7.3924 -7.2478 -7.2467 -1.7345 -1.7252 -1.6859 -1.6653 -1.4370 -1.4142 -1.3834 -1.3658 -1.3234 -1.3174 -0.8734 -0.8651 -0.4823 -0.4656 0.7933 0.8296 1.1586 1.2428 1.8054 1.8441 2.1129 2.1603 2.5328 2.5379 2.9556 2.9868 3.2223 3.2778 3.5145 3.5383 3.8931 3.9296 4.5264 4.5306 8.0122 8.0277 8.6133 8.6400 8.9849 9.0021 9.7487 9.7606 k = 0.0000 0.0000 0.4617 ( 5676 PWs) bands (ev): -8.2862 -8.2862 -7.4584 -7.4577 -7.4051 -7.4045 -7.2540 -7.2528 -1.7341 -1.7260 -1.6860 -1.6649 -1.4340 -1.4129 -1.3809 -1.3647 -1.3227 -1.3162 -0.8790 -0.8711 -0.5049 -0.4890 0.7564 0.7997 1.1162 1.2131 1.8968 1.9296 2.0843 2.1350 2.5614 2.5759 2.9800 3.0045 3.2478 3.3034 3.5041 3.5471 3.8872 3.9158 4.5220 4.5261 8.0616 8.0764 8.6336 8.6622 8.9179 8.9291 9.7561 9.7686 k = 0.0000 0.0000 0.4827 ( 5674 PWs) bands (ev): -8.2574 -8.2573 -7.4734 -7.4728 -7.4170 -7.4165 -7.2610 -7.2598 -1.7337 -1.7267 -1.6860 -1.6648 -1.4316 -1.4117 -1.3780 -1.3637 -1.3220 -1.3151 -0.8849 -0.8773 -0.5270 -0.5114 0.7141 0.7617 1.0877 1.1937 1.9828 1.9985 2.0656 2.1045 2.5914 2.6131 3.0059 3.0314 3.2706 3.3275 3.4871 3.5594 3.8832 3.9198 4.5177 4.5220 8.1110 8.1252 8.6468 8.6763 8.8456 8.8517 9.7657 9.7805 k = 0.0000 0.0000 0.5037 ( 5666 PWs) bands (ev): -8.2278 -8.2277 -7.4883 -7.4876 -7.4288 -7.4283 -7.2687 -7.2675 -1.7334 -1.7274 -1.6860 -1.6649 -1.4297 -1.4106 -1.3750 -1.3627 -1.3215 -1.3140 -0.8909 -0.8837 -0.5483 -0.5323 0.6670 0.7153 1.0734 1.1845 1.9766 2.0210 2.1194 2.1261 2.6234 2.6503 3.0271 3.0632 3.2887 3.3485 3.4770 3.5717 3.8845 3.9358 4.5135 4.5181 8.1600 8.1737 8.6529 8.6798 8.7683 8.7736 9.7791 9.7965 k = 0.0000 0.0000 0.5247 ( 5670 PWs) bands (ev): -8.1976 -8.1975 -7.5028 -7.5021 -7.4404 -7.4398 -7.2773 -7.2761 -1.7332 -1.7280 -1.6861 -1.6652 -1.4284 -1.4096 -1.3721 -1.3616 -1.3210 -1.3130 -0.8969 -0.8900 -0.5687 -0.5516 0.6162 0.6625 1.0713 1.1844 1.9280 1.9820 2.2031 2.2101 2.6573 2.6886 3.0410 3.0900 3.3020 3.3664 3.4816 3.5873 3.8932 3.9582 4.5095 4.5145 8.2077 8.2210 8.6468 8.6556 8.6893 8.7164 9.7966 9.8167 k = 0.0000 0.0000 0.5457 ( 5664 PWs) bands (ev): -8.1670 -8.1668 -7.5169 -7.5163 -7.4517 -7.4511 -7.2867 -7.2855 -1.7329 -1.7285 -1.6862 -1.6657 -1.4274 -1.4087 -1.3697 -1.3602 -1.3207 -1.3121 -0.9027 -0.8962 -0.5876 -0.5692 0.5631 0.6058 1.0787 1.1925 1.8742 1.9309 2.2907 2.2956 2.6929 2.7290 3.0467 3.1029 3.3161 3.3826 3.5011 3.6107 3.9077 3.9840 4.5058 4.5113 8.2517 8.2655 8.5795 8.5937 8.6549 8.6981 9.8182 9.8408 k = 0.0000 0.0000 0.5667 ( 5656 PWs) bands (ev): -8.1359 -8.1357 -7.5307 -7.5300 -7.4627 -7.4621 -7.2969 -7.2957 -1.7326 -1.7289 -1.6864 -1.6664 -1.4267 -1.4079 -1.3682 -1.3581 -1.3205 -1.3112 -0.9082 -0.9023 -0.6049 -0.5849 0.5088 0.5474 1.0934 1.2074 1.8191 1.8781 2.3642 2.3827 2.7299 2.7733 3.0449 3.1005 3.3361 3.3978 3.5315 3.6445 3.9262 4.0118 4.5022 4.5085 8.2848 8.3017 8.5012 8.5145 8.6421 8.6856 9.8436 9.8684 k = 0.0000 0.0000 0.5876 ( 5660 PWs) bands (ev): -8.1045 -8.1043 -7.5440 -7.5433 -7.4734 -7.4728 -7.3078 -7.3067 -1.7323 -1.7293 -1.6867 -1.6674 -1.4263 -1.4074 -1.3676 -1.3557 -1.3204 -1.3104 -0.9134 -0.9082 -0.6201 -0.5985 0.4543 0.4887 1.1135 1.2280 1.7648 1.8266 2.4236 2.4592 2.7687 2.8236 3.0394 3.0910 3.3591 3.4114 3.5701 3.6886 3.9468 4.0405 4.4988 4.5062 8.2822 8.3067 8.4508 8.4611 8.6262 8.6710 9.8724 9.8992 k = 0.0000 0.0000 0.6086 ( 5668 PWs) bands (ev): -8.0729 -8.0727 -7.5569 -7.5562 -7.4837 -7.4831 -7.3194 -7.3183 -1.7321 -1.7294 -1.6871 -1.6685 -1.4260 -1.4072 -1.3675 -1.3533 -1.3204 -1.3097 -0.9183 -0.9137 -0.6331 -0.6099 0.4004 0.4309 1.1376 1.2532 1.7127 1.7782 2.4643 2.5157 2.8117 2.8803 3.0370 3.0850 3.3799 3.4228 3.6157 3.7405 3.9681 4.0695 4.4958 4.5043 8.2214 8.2493 8.4541 8.4628 8.6076 8.6551 9.9040 9.9324 k = 0.0000 0.0000 0.6296 ( 5676 PWs) bands (ev): -8.0412 -8.0409 -7.5694 -7.5686 -7.4937 -7.4931 -7.3315 -7.3305 -1.7319 -1.7295 -1.6875 -1.6699 -1.4258 -1.4072 -1.3676 -1.3512 -1.3203 -1.3092 -0.9229 -0.9190 -0.6437 -0.6192 0.3479 0.3747 1.1641 1.2817 1.6642 1.7345 2.4837 2.5436 2.8612 2.9386 3.0478 3.0908 3.3959 3.4317 3.6663 3.7976 3.9893 4.0983 4.4931 4.5029 8.1316 8.1600 8.4757 8.4891 8.5908 8.6424 9.9376 9.9671 k = 0.0000 0.0000 0.6506 ( 5676 PWs) bands (ev): -8.0095 -8.0093 -7.5815 -7.5807 -7.5032 -7.5027 -7.3441 -7.3431 -1.7316 -1.7293 -1.6881 -1.6714 -1.4256 -1.4075 -1.3677 -1.3496 -1.3202 -1.3087 -0.9273 -0.9239 -0.6515 -0.6261 0.2973 0.3208 1.1917 1.3119 1.6208 1.6969 2.4823 2.5416 2.9142 2.9858 3.0843 3.1144 3.4067 3.4385 3.7196 3.8570 4.0095 4.1265 4.4909 4.5020 8.0341 8.0625 8.4876 8.5032 8.5909 8.6414 9.9717 10.0018 k = 0.0000 0.0000 0.6716 ( 5674 PWs) bands (ev): -7.9780 -7.9777 -7.5933 -7.5925 -7.5124 -7.5119 -7.3569 -7.3559 -1.7314 -1.7291 -1.6887 -1.6731 -1.4255 -1.4081 -1.3678 -1.3486 -1.3198 -1.3084 -0.9317 -0.9284 -0.6567 -0.6309 0.2490 0.2695 1.2185 1.3411 1.5853 1.6671 2.4632 2.5162 2.9638 3.0178 3.1422 3.1616 3.4128 3.4435 3.7733 3.9168 4.0284 4.1537 4.4891 4.5016 7.9355 7.9636 8.4792 8.4896 8.6185 8.6584 10.0011 10.0306 k = 0.0000 0.0000 0.6926 ( 5678 PWs) bands (ev): -7.9468 -7.9465 -7.6049 -7.6041 -7.5212 -7.5207 -7.3697 -7.3688 -1.7311 -1.7287 -1.6894 -1.6750 -1.4253 -1.4090 -1.3677 -1.3483 -1.3193 -1.3082 -0.9359 -0.9326 -0.6593 -0.6337 0.2037 0.2215 1.2427 1.3647 1.5622 1.6471 2.4307 2.4755 3.0065 3.0448 3.2022 3.2309 3.4147 3.4480 3.8252 3.9749 4.0456 4.1796 4.4881 4.5018 7.8391 7.8664 8.4549 8.4632 8.6575 8.6881 10.0107 10.0350 k = 0.0000 0.0000 0.7136 ( 5684 PWs) bands (ev): -7.9161 -7.9157 -7.6165 -7.6157 -7.5295 -7.5290 -7.3822 -7.3813 -1.7308 -1.7284 -1.6901 -1.6769 -1.4251 -1.4102 -1.3674 -1.3487 -1.3186 -1.3082 -0.9399 -0.9365 -0.6594 -0.6347 0.1618 0.1770 1.2622 1.3757 1.5579 1.6385 2.3889 2.4259 3.0437 3.0715 3.2612 3.3054 3.4134 3.4545 3.8739 4.0294 4.0615 4.2037 4.4878 4.5023 7.7473 7.7733 8.4241 8.4324 8.6981 8.7226 10.0036 10.0243 k = 0.0000 0.0000 0.7346 ( 5686 PWs) bands (ev): -7.8860 -7.8856 -7.6284 -7.6276 -7.5374 -7.5369 -7.3940 -7.3933 -1.7304 -1.7280 -1.6906 -1.6789 -1.4248 -1.4115 -1.3669 -1.3495 -1.3177 -1.3082 -0.9435 -0.9402 -0.6574 -0.6343 0.1238 0.1367 1.2757 1.3715 1.5747 1.6423 2.3412 2.3716 3.0773 3.0986 3.3106 3.3734 3.4126 3.4683 3.9183 4.0679 4.0867 4.2253 4.4885 4.5033 7.6624 7.6863 8.3921 8.4002 8.7373 8.7574 9.9916 10.0094 k = 0.0000 0.0000 0.7555 ( 5686 PWs) bands (ev): -7.8568 -7.8563 -7.6409 -7.6400 -7.5445 -7.5440 -7.4048 -7.4042 -1.7300 -1.7277 -1.6910 -1.6809 -1.4244 -1.4130 -1.3661 -1.3508 -1.3166 -1.3084 -0.9467 -0.9436 -0.6537 -0.6330 0.0903 0.1010 1.2833 1.3580 1.6062 1.6576 2.2905 2.3155 3.1083 3.1255 3.3405 3.3933 3.4512 3.4951 3.9578 4.0804 4.1300 4.2436 4.4902 4.5045 7.5864 7.6077 8.3617 8.3690 8.7734 8.7899 9.9784 9.9935 k = 0.0000 0.0000 0.7765 ( 5694 PWs) bands (ev): -7.8285 -7.8281 -7.6543 -7.6534 -7.5508 -7.5504 -7.4143 -7.4137 -1.7296 -1.7275 -1.6913 -1.6829 -1.4239 -1.4146 -1.3651 -1.3523 -1.3155 -1.3088 -0.9493 -0.9466 -0.6489 -0.6313 0.0618 0.0705 1.2865 1.3415 1.6446 1.6819 2.2395 2.2602 3.1368 3.1512 3.3511 3.3851 3.5073 3.5319 3.9921 4.0875 4.1695 4.2578 4.4929 4.5058 7.5214 7.5393 8.3346 8.3407 8.8053 8.8185 9.9657 9.9780 k = 0.0000 0.0000 0.7975 ( 5690 PWs) bands (ev): -7.8017 -7.8011 -7.6689 -7.6680 -7.5561 -7.5558 -7.4220 -7.4216 -1.7291 -1.7273 -1.6912 -1.6848 -1.4232 -1.4161 -1.3639 -1.3540 -1.3144 -1.3093 -0.9514 -0.9492 -0.6437 -0.6298 0.0391 0.0457 1.2875 1.3257 1.6846 1.7109 2.1915 2.2082 3.1624 3.1744 3.3508 3.3737 3.5546 3.5687 4.0211 4.0909 4.2027 4.2672 4.4963 4.5069 7.4691 7.4831 8.3122 8.3169 8.8318 8.8418 9.9547 9.9641 k = 0.0000 0.0000 0.8185 ( 5690 PWs) bands (ev): -7.7766 -7.7760 -7.6848 -7.6840 -7.5601 -7.5598 -7.4276 -7.4274 -1.7286 -1.7273 -1.6909 -1.6865 -1.4224 -1.4176 -1.3626 -1.3558 -1.3134 -1.3099 -0.9527 -0.9512 -0.6386 -0.6290 0.0227 0.0271 1.2882 1.3123 1.7217 1.7390 2.1506 2.1631 3.1841 3.1933 3.3464 3.3616 3.5902 3.5982 4.0448 4.0906 4.2293 4.2714 4.5000 4.5074 7.4312 7.4409 8.2955 8.2988 8.8521 8.8588 9.9465 9.9529 k = 0.0000 0.0000 0.8395 ( 5690 PWs) bands (ev): -7.7545 -7.7540 -7.7011 -7.7004 -7.5625 -7.5624 -7.4311 -7.4310 -1.7281 -1.7275 -1.6902 -1.6880 -1.4214 -1.4190 -1.3610 -1.3576 -1.3124 -1.3106 -0.9534 -0.9526 -0.6343 -0.6294 0.0131 0.0154 1.2902 1.3019 1.7503 1.7593 2.1229 2.1299 3.2000 3.2053 3.3430 3.3510 3.6128 3.6165 4.0635 4.0861 4.2492 4.2699 4.5033 4.5071 7.4090 7.4139 8.2856 8.2872 8.8653 8.8686 9.9419 9.9452 k = 0.0000 0.0000 0.8605 ( 5700 PWs) bands (ev): -7.7423 -7.7423 -7.7108 -7.7108 -7.5633 -7.5633 -7.4322 -7.4322 -1.7278 -1.7278 -1.6893 -1.6893 -1.4203 -1.4203 -1.3594 -1.3594 -1.3115 -1.3115 -0.9534 -0.9534 -0.6311 -0.6311 0.0106 0.0106 1.2946 1.2946 1.7641 1.7641 2.1151 2.1151 3.2077 3.2077 3.3442 3.3442 3.6216 3.6216 4.0772 4.0772 4.2626 4.2626 4.5057 4.5057 7.4031 7.4031 8.2827 8.2827 8.8709 8.8709 9.9414 9.9414 k = 0.0000 0.0000 0.8605 ( 5700 PWs) bands (ev): -7.7423 -7.7423 -7.7108 -7.7108 -7.5633 -7.5633 -7.4322 -7.4322 -1.7278 -1.7278 -1.6893 -1.6893 -1.4203 -1.4203 -1.3594 -1.3594 -1.3115 -1.3115 -0.9534 -0.9534 -0.6311 -0.6311 0.0106 0.0106 1.2946 1.2946 1.7641 1.7641 2.1151 2.1151 3.2077 3.2077 3.3442 3.3442 3.6216 3.6216 4.0772 4.0772 4.2626 4.2626 4.5057 4.5057 7.4031 7.4031 8.2827 8.2827 8.8709 8.8709 9.9414 9.9414 k =-0.0116 0.0162 0.8605 ( 5708 PWs) bands (ev): -7.7422 -7.7422 -7.7109 -7.7109 -7.5633 -7.5633 -7.4324 -7.4324 -1.7291 -1.7267 -1.6931 -1.6862 -1.4247 -1.4168 -1.3629 -1.3566 -1.3135 -1.3098 -0.9515 -0.9481 -0.6296 -0.6293 0.0097 0.0116 1.2946 1.2955 1.7634 1.7655 2.1133 2.1177 3.2040 3.2083 3.3386 3.3431 3.6203 3.6214 4.0739 4.0772 4.2612 4.2619 4.5031 4.5037 7.4044 7.4076 8.2849 8.2857 8.8744 8.8812 9.9427 9.9445 k =-0.0232 0.0325 0.8605 ( 5688 PWs) bands (ev): -7.7420 -7.7420 -7.7113 -7.7113 -7.5636 -7.5635 -7.4330 -7.4329 -1.7305 -1.7258 -1.6974 -1.6836 -1.4301 -1.4144 -1.3667 -1.3547 -1.3156 -1.3086 -0.9425 -0.9360 -0.6247 -0.6242 0.0086 0.0125 1.2953 1.2972 1.7636 1.7677 2.1121 2.1210 3.1971 3.2057 3.3264 3.3353 3.6175 3.6197 4.0674 4.0742 4.2576 4.2592 4.4959 4.4970 7.4115 7.4177 8.2923 8.2938 8.8915 8.9051 9.9480 9.9517 k =-0.0348 0.0487 0.8605 ( 5682 PWs) bands (ev): -7.7418 -7.7417 -7.7120 -7.7119 -7.5638 -7.5638 -7.4339 -7.4338 -1.7322 -1.7253 -1.7023 -1.6818 -1.4363 -1.4131 -1.3706 -1.3539 -1.3175 -1.3081 -0.9268 -0.9173 -0.6166 -0.6158 0.0075 0.0133 1.2969 1.2997 1.7645 1.7707 2.1117 2.1251 3.1871 3.1998 3.3076 3.3210 3.6133 3.6165 4.0578 4.0682 4.2519 4.2544 4.4843 4.4859 7.4241 7.4335 8.3046 8.3069 8.9215 8.9422 9.9564 9.9621 k =-0.0463 0.0649 0.8605 ( 5682 PWs) bands (ev): -7.7415 -7.7414 -7.7129 -7.7128 -7.5641 -7.5640 -7.4350 -7.4348 -1.7339 -1.7252 -1.7074 -1.6805 -1.4432 -1.4132 -1.3739 -1.3539 -1.3190 -1.3083 -0.9047 -0.8927 -0.6053 -0.6042 0.0063 0.0141 1.2992 1.3030 1.7661 1.7745 2.1119 2.1298 3.1740 3.1905 3.2826 3.3007 3.6079 3.6120 4.0454 4.0595 4.2441 4.2478 4.4687 4.4706 7.4423 7.4546 8.3217 8.3247 8.9635 8.9914 9.9657 9.9740 k =-0.0579 0.0811 0.8605 ( 5676 PWs) bands (ev): -7.7414 -7.7412 -7.7142 -7.7141 -7.5642 -7.5642 -7.4363 -7.4361 -1.7359 -1.7256 -1.7127 -1.6798 -1.4507 -1.4147 -1.3766 -1.3544 -1.3201 -1.3090 -0.8769 -0.8625 -0.5909 -0.5896 0.0050 0.0147 1.3024 1.3071 1.7685 1.7790 2.1127 2.1353 3.1578 3.1776 3.2522 3.2748 3.6012 3.6062 4.0305 4.0484 4.2344 4.2394 4.4495 4.4516 7.4656 7.4808 8.3433 8.3469 9.0159 9.0514 9.9719 9.9841 k =-0.0695 0.0974 0.8605 ( 5672 PWs) bands (ev): -7.7415 -7.7414 -7.7159 -7.7158 -7.5641 -7.5640 -7.4377 -7.4374 -1.7381 -1.7268 -1.7176 -1.6794 -1.4585 -1.4175 -1.3783 -1.3552 -1.3210 -1.3101 -0.8438 -0.8275 -0.5735 -0.5721 0.0035 0.0152 1.3063 1.3120 1.7716 1.7843 2.1140 2.1415 3.1382 3.1602 3.2174 3.2445 3.5935 3.5993 4.0135 4.0353 4.2227 4.2293 4.4271 4.4295 7.4938 7.5117 8.3688 8.3730 9.0765 9.1201 9.9672 9.9855 k =-0.0811 0.1136 0.8605 ( 5660 PWs) bands (ev): -7.7422 -7.7421 -7.7181 -7.7180 -7.5636 -7.5635 -7.4389 -7.4386 -1.7405 -1.7294 -1.7213 -1.6794 -1.4663 -1.4211 -1.3794 -1.3558 -1.3218 -1.3115 -0.8061 -0.7880 -0.5534 -0.5519 0.0018 0.0154 1.3109 1.3177 1.7754 1.7904 2.1158 2.1482 3.1140 3.1370 3.1805 3.2120 3.5848 3.5914 3.9948 4.0205 4.2090 4.2175 4.4019 4.4052 7.5266 7.5471 8.3978 8.4027 9.1426 9.1950 9.9409 9.9665 k =-0.0927 0.1298 0.8605 ( 5656 PWs) bands (ev): -7.7435 -7.7434 -7.7208 -7.7206 -7.5624 -7.5623 -7.4398 -7.4395 -1.7435 -1.7332 -1.7237 -1.6795 -1.4741 -1.4254 -1.3801 -1.3563 -1.3226 -1.3130 -0.7642 -0.7447 -0.5308 -0.5291 -0.0001 0.0155 1.3164 1.3242 1.7798 1.7972 2.1180 2.1555 3.0824 3.1070 3.1438 3.1803 3.5752 3.5825 3.9748 4.0043 4.1930 4.2040 4.3746 4.3796 7.5636 7.5865 8.4297 8.4352 9.2102 9.2721 9.8893 9.9180 k =-0.1043 0.1460 0.8605 ( 5656 PWs) bands (ev): -7.7458 -7.7457 -7.7241 -7.7239 -7.5605 -7.5604 -7.4404 -7.4401 -1.7471 -1.7372 -1.7255 -1.6799 -1.4816 -1.4301 -1.3805 -1.3566 -1.3235 -1.3147 -0.7186 -0.6979 -0.5059 -0.5040 -0.0022 0.0152 1.3226 1.3315 1.7849 1.8047 2.1205 2.1633 3.0405 3.0710 3.1090 3.1523 3.5648 3.5729 3.9539 3.9871 4.1747 4.1884 4.3459 4.3534 7.6044 7.6295 8.4637 8.4700 9.2741 9.3461 9.8196 9.8464 k =-0.1159 0.1623 0.8605 ( 5660 PWs) bands (ev): -7.7491 -7.7490 -7.7280 -7.7278 -7.5576 -7.5575 -7.4405 -7.4401 -1.7515 -1.7407 -1.7273 -1.6803 -1.4887 -1.4348 -1.3809 -1.3566 -1.3247 -1.3163 -0.6697 -0.6482 -0.4790 -0.4768 -0.0046 0.0147 1.3295 1.3396 1.7905 1.8129 2.1232 2.1715 2.9903 3.0279 3.0777 3.1276 3.5537 3.5625 3.9325 3.9692 4.1538 4.1707 4.3169 4.3276 7.6486 7.6756 8.4990 8.5062 9.3272 9.4092 9.7389 9.7623 k =-0.1274 0.1785 0.8605 ( 5672 PWs) bands (ev): -7.7536 -7.7535 -7.7326 -7.7324 -7.5537 -7.5535 -7.4398 -7.4395 -1.7563 -1.7438 -1.7290 -1.6808 -1.4954 -1.4395 -1.3811 -1.3564 -1.3261 -1.3179 -0.6181 -0.5961 -0.4503 -0.4477 -0.0070 0.0139 1.3373 1.3485 1.7967 1.8218 2.1261 2.1800 2.9353 2.9787 3.0495 3.1048 3.5418 3.5516 3.9108 3.9507 4.1301 4.1503 4.2884 4.3026 7.6956 7.7243 8.5346 8.5431 9.3611 9.4509 9.6516 9.6714 k =-0.1274 0.1785 0.8605 ( 5672 PWs) bands (ev): -7.7536 -7.7535 -7.7326 -7.7324 -7.5537 -7.5535 -7.4398 -7.4395 -1.7563 -1.7438 -1.7290 -1.6808 -1.4954 -1.4395 -1.3811 -1.3564 -1.3261 -1.3179 -0.6181 -0.5961 -0.4503 -0.4477 -0.0070 0.0139 1.3373 1.3485 1.7967 1.8218 2.1261 2.1800 2.9353 2.9787 3.0495 3.1048 3.5418 3.5516 3.9108 3.9507 4.1301 4.1503 4.2884 4.3026 7.6956 7.7243 8.5346 8.5431 9.3611 9.4509 9.6516 9.6714 k =-0.1359 0.1904 0.8459 ( 5674 PWs) bands (ev): -7.7557 -7.7552 -7.7410 -7.7404 -7.5470 -7.5469 -7.4396 -7.4394 -1.7594 -1.7449 -1.7302 -1.6821 -1.4990 -1.4444 -1.3801 -1.3562 -1.3273 -1.3198 -0.5781 -0.5566 -0.4267 -0.4229 -0.0097 0.0097 1.3454 1.3555 1.7957 1.8244 2.1388 2.1914 2.8821 2.9307 3.0419 3.0992 3.5201 3.5318 3.9037 3.9423 4.1254 4.1479 4.2515 4.2680 7.7335 7.7635 8.5628 8.5698 9.3745 9.4666 9.5635 9.5853 k =-0.1444 0.2022 0.8313 ( 5678 PWs) bands (ev): -7.7645 -7.7638 -7.7444 -7.7436 -7.5417 -7.5415 -7.4362 -7.4361 -1.7626 -1.7463 -1.7307 -1.6836 -1.5019 -1.4493 -1.3791 -1.3561 -1.3286 -1.3219 -0.5383 -0.5185 -0.4024 -0.3961 -0.0082 0.0092 1.3530 1.3660 1.7867 1.8200 2.1606 2.2117 2.8283 2.8814 3.0332 3.0927 3.4880 3.5028 3.8990 3.9346 4.1156 4.1453 4.2136 4.2349 7.7787 7.8101 8.5923 8.5976 9.3749 9.4610 9.4790 9.4991 k =-0.1528 0.2141 0.8168 ( 5670 PWs) bands (ev): -7.7757 -7.7751 -7.7465 -7.7457 -7.5387 -7.5383 -7.4292 -7.4290 -1.7657 -1.7480 -1.7306 -1.6852 -1.5041 -1.4540 -1.3780 -1.3561 -1.3298 -1.3239 -0.5003 -0.4838 -0.3748 -0.3672 -0.0022 0.0127 1.3608 1.3792 1.7723 1.8102 2.1887 2.2384 2.7749 2.8317 3.0233 3.0850 3.4463 3.4656 3.8967 3.9267 4.0970 4.1361 4.1814 4.2081 7.8305 7.8635 8.6216 8.6253 9.3566 9.3812 9.4136 9.4659 k =-0.1613 0.2259 0.8022 ( 5670 PWs) bands (ev): -7.7873 -7.7867 -7.7489 -7.7482 -7.5383 -7.5377 -7.4189 -7.4184 -1.7688 -1.7499 -1.7299 -1.6869 -1.5058 -1.4586 -1.3770 -1.3561 -1.3309 -1.3259 -0.4673 -0.4540 -0.3426 -0.3344 0.0084 0.0209 1.3691 1.3942 1.7545 1.7972 2.2202 2.2688 2.7230 2.7824 3.0121 3.0760 3.3967 3.4216 3.8961 3.9169 4.0666 4.1084 4.1686 4.1916 7.8883 7.9229 8.6487 8.6516 9.2863 9.2991 9.3739 9.4511 k =-0.1698 0.2378 0.7876 ( 5674 PWs) bands (ev): -7.7988 -7.7983 -7.7519 -7.7512 -7.5399 -7.5393 -7.4058 -7.4052 -1.7717 -1.7519 -1.7289 -1.6886 -1.5068 -1.4630 -1.3759 -1.3563 -1.3320 -1.3279 -0.4437 -0.4278 -0.3058 -0.2956 0.0234 0.0341 1.3780 1.4107 1.7349 1.7826 2.2526 2.2998 2.6743 2.7343 2.9994 3.0656 3.3410 3.3723 3.8962 3.9028 4.0257 4.0722 4.1678 4.1843 7.9512 7.9874 8.6708 8.6744 9.2011 9.2136 9.3551 9.4347 k =-0.1782 0.2497 0.7730 ( 5671 PWs) bands (ev): -7.8100 -7.8096 -7.7552 -7.7546 -7.5430 -7.5423 -7.3910 -7.3903 -1.7746 -1.7539 -1.7276 -1.6905 -1.5072 -1.4672 -1.3749 -1.3566 -1.3330 -1.3298 -0.4291 -0.4055 -0.2647 -0.2509 0.0424 0.0525 1.3871 1.4284 1.7148 1.7676 2.2835 2.3275 2.6317 2.6888 2.9849 3.0532 3.2814 3.3196 3.8806 3.8959 3.9788 4.0399 4.1707 4.1829 8.0183 8.0561 8.6849 8.6903 9.1215 9.1308 9.3392 9.4188 k =-0.1867 0.2615 0.7585 ( 5675 PWs) bands (ev): -7.8209 -7.8205 -7.7588 -7.7582 -7.5472 -7.5464 -7.3753 -7.3744 -1.7772 -1.7560 -1.7261 -1.6924 -1.5071 -1.4712 -1.3739 -1.3571 -1.3339 -1.3315 -0.4204 -0.3885 -0.2195 -0.2023 0.0649 0.0757 1.3960 1.4473 1.6947 1.7533 2.3099 2.3467 2.6003 2.6478 2.9678 3.0377 3.2205 3.2658 3.8479 3.8899 3.9335 4.0161 4.1751 4.1852 8.0886 8.1279 8.6874 8.6947 9.0517 9.0561 9.3254 9.4054 k =-0.1952 0.2734 0.7439 ( 5687 PWs) bands (ev): -7.8313 -7.8309 -7.7624 -7.7618 -7.5519 -7.5511 -7.3591 -7.3581 -1.7797 -1.7580 -1.7246 -1.6943 -1.5065 -1.4750 -1.3731 -1.3578 -1.3350 -1.3329 -0.4154 -0.3763 -0.1713 -0.1513 0.0907 0.1031 1.4044 1.4670 1.6753 1.7405 2.3269 2.3519 2.5864 2.6142 2.9467 3.0162 3.1623 3.2137 3.8056 3.8567 3.9130 4.0007 4.1804 4.1898 8.1609 8.2013 8.6739 8.6830 8.9915 8.9979 9.3136 9.3950 k =-0.2036 0.2852 0.7293 ( 5685 PWs) bands (ev): -7.8412 -7.8409 -7.7661 -7.7655 -7.5569 -7.5561 -7.3429 -7.3419 -1.7820 -1.7600 -1.7231 -1.6960 -1.5057 -1.4783 -1.3725 -1.3587 -1.3360 -1.3339 -0.4130 -0.3679 -0.1212 -0.0990 0.1193 0.1337 1.4118 1.4874 1.6568 1.7297 2.3232 2.3473 2.5907 2.5934 2.9195 2.9838 3.1129 3.1668 3.7568 3.8046 3.9102 3.9909 4.1863 4.1961 8.2337 8.2744 8.6432 8.6535 8.9429 8.9577 9.3024 9.3851 k =-0.2121 0.2971 0.7148 ( 5671 PWs) bands (ev): -7.8506 -7.8502 -7.7696 -7.7691 -7.5620 -7.5612 -7.3271 -7.3261 -1.7841 -1.7619 -1.7218 -1.6975 -1.5047 -1.4810 -1.3721 -1.3597 -1.3370 -1.3344 -0.4124 -0.3622 -0.0701 -0.0463 0.1504 0.1668 1.4179 1.5080 1.6396 1.7215 2.2971 2.3372 2.5824 2.6129 2.8840 2.9365 3.0772 3.1286 3.7045 3.7496 3.9102 3.9844 4.1928 4.2035 8.3044 8.3436 8.6010 8.6100 8.9064 8.9288 9.2883 9.3668 k =-0.2206 0.3089 0.7002 ( 5673 PWs) bands (ev): -7.8594 -7.8590 -7.7730 -7.7725 -7.5671 -7.5663 -7.3120 -7.3109 -1.7860 -1.7637 -1.7209 -1.6986 -1.5041 -1.4829 -1.3722 -1.3607 -1.3379 -1.3347 -0.4130 -0.3587 -0.0189 0.0061 0.1832 0.2015 1.4225 1.5283 1.6245 1.7162 2.2617 2.3166 2.5844 2.6408 2.8397 2.8781 3.0533 3.1008 3.6508 3.6949 3.9106 3.9798 4.1996 4.2118 8.3677 8.3983 8.5592 8.5660 8.8771 8.9049 9.2697 9.3392 k =-0.2290 0.3208 0.6856 ( 5673 PWs) bands (ev): -7.8675 -7.8672 -7.7761 -7.7756 -7.5721 -7.5713 -7.2976 -7.2965 -1.7877 -1.7655 -1.7206 -1.6991 -1.5042 -1.4834 -1.3729 -1.3617 -1.3385 -1.3348 -0.4143 -0.3568 0.0317 0.0575 0.2170 0.2374 1.4256 1.5462 1.6131 1.7139 2.2234 2.2880 2.5916 2.6715 2.7887 2.8151 3.0368 3.0821 3.5972 3.6418 3.9111 3.9763 4.2068 4.2206 8.4048 8.4102 8.5315 8.5626 8.8508 8.8815 9.2500 9.3138 k =-0.2375 0.3327 0.6710 ( 5674 PWs) bands (ev): -7.8750 -7.8747 -7.7790 -7.7785 -7.5769 -7.5760 -7.2842 -7.2830 -1.7893 -1.7671 -1.7210 -1.6988 -1.5053 -1.4825 -1.3743 -1.3624 -1.3390 -1.3346 -0.4162 -0.3560 0.0808 0.1072 0.2513 0.2736 1.4271 1.5567 1.6108 1.7148 2.1853 2.2554 2.5956 2.7008 2.7373 2.7532 3.0251 3.0703 3.5449 3.5911 3.9115 3.9734 4.2141 4.2297 8.3753 8.3863 8.5529 8.6014 8.8256 8.8570 9.2343 9.2956 k =-0.2460 0.3445 0.6565 ( 5670 PWs) bands (ev): -7.8818 -7.8815 -7.7815 -7.7810 -7.5814 -7.5806 -7.2719 -7.2707 -1.7906 -1.7686 -1.7221 -1.6979 -1.5071 -1.4803 -1.3763 -1.3629 -1.3393 -1.3341 -0.4184 -0.3560 0.1278 0.1544 0.2852 0.3097 1.4273 1.5548 1.6223 1.7188 2.1488 2.2215 2.5835 2.6821 2.6989 2.7393 3.0169 3.0634 3.4948 3.5436 3.9119 3.9708 4.2214 4.2388 8.3270 8.3398 8.5965 8.6480 8.8017 8.8315 9.2261 9.2861 k =-0.2545 0.3564 0.6419 ( 5662 PWs) bands (ev): -7.8879 -7.8876 -7.7837 -7.7832 -7.5856 -7.5848 -7.2607 -7.2595 -1.7918 -1.7699 -1.7237 -1.6964 -1.5094 -1.4772 -1.3788 -1.3631 -1.3396 -1.3334 -0.4208 -0.3567 0.1718 0.1985 0.3181 0.3449 1.4267 1.5460 1.6421 1.7257 2.1150 2.1882 2.5448 2.6205 2.6869 2.7659 3.0113 3.0603 3.4479 3.4998 3.9121 3.9685 4.2286 4.2480 8.2783 8.2901 8.6368 8.6877 8.7803 8.8065 9.2268 9.2851 k =-0.2629 0.3682 0.6273 ( 5658 PWs) bands (ev): -7.8933 -7.8930 -7.7855 -7.7850 -7.5895 -7.5886 -7.2509 -7.2496 -1.7929 -1.7711 -1.7256 -1.6946 -1.5119 -1.4735 -1.3818 -1.3632 -1.3399 -1.3325 -0.4233 -0.3580 0.2123 0.2388 0.3492 0.3783 1.4255 1.5354 1.6652 1.7354 2.0848 2.1566 2.4906 2.5595 2.6889 2.7918 3.0076 3.0606 3.4052 3.4602 3.9123 3.9664 4.2356 4.2568 8.2331 8.2436 8.6656 8.7137 8.7648 8.7865 9.2358 9.2914 k =-0.2714 0.3801 0.6128 ( 5655 PWs) bands (ev): -7.8979 -7.8976 -7.7869 -7.7864 -7.5930 -7.5921 -7.2423 -7.2411 -1.7938 -1.7721 -1.7277 -1.6926 -1.5146 -1.4694 -1.3850 -1.3632 -1.3402 -1.3314 -0.4258 -0.3596 0.2483 0.2750 0.3775 0.4089 1.4241 1.5248 1.6897 1.7479 2.0590 2.1276 2.4322 2.5006 2.6949 2.8148 3.0058 3.0639 3.3671 3.4251 3.9124 3.9644 4.2422 4.2653 8.1933 8.2023 8.6778 8.7194 8.7582 8.7803 9.2507 9.3026 k =-0.2799 0.3920 0.5982 ( 5659 PWs) bands (ev): -7.9017 -7.9015 -7.7878 -7.7874 -7.5961 -7.5952 -7.2352 -7.2339 -1.7946 -1.7729 -1.7300 -1.6905 -1.5172 -1.4650 -1.3885 -1.3631 -1.3405 -1.3301 -0.4283 -0.3616 0.2795 0.3064 0.4022 0.4357 1.4228 1.5150 1.7146 1.7633 2.0383 2.1022 2.3743 2.4444 2.7013 2.8339 3.0065 3.0702 3.3342 3.3945 3.9125 3.9626 4.2483 4.2732 8.1596 8.1674 8.6754 8.7082 8.7612 8.7863 9.2683 9.3158 k =-0.2883 0.4038 0.5836 ( 5653 PWs) bands (ev): -7.9048 -7.9046 -7.7884 -7.7879 -7.5987 -7.5979 -7.2296 -7.2282 -1.7952 -1.7735 -1.7322 -1.6884 -1.5197 -1.4604 -1.3920 -1.3629 -1.3408 -1.3288 -0.4308 -0.3639 0.3051 0.3327 0.4224 0.4574 1.4215 1.5065 1.7392 1.7819 2.0234 2.0813 2.3188 2.3915 2.7072 2.8479 3.0110 3.0793 3.3065 3.3684 3.9126 3.9608 4.2539 4.2804 8.1329 8.1397 8.6671 8.6929 8.7680 8.7935 9.2857 9.3286 k =-0.2968 0.4157 0.5690 ( 5660 PWs) bands (ev): -7.9071 -7.9069 -7.7885 -7.7880 -7.6009 -7.6001 -7.2254 -7.2240 -1.7958 -1.7739 -1.7344 -1.6864 -1.5221 -1.4557 -1.3957 -1.3627 -1.3411 -1.3275 -0.4332 -0.3665 0.3247 0.3536 0.4375 0.4732 1.4199 1.4998 1.7625 1.8041 2.0149 2.0656 2.2669 2.3425 2.7122 2.8561 3.0207 3.0911 3.2836 3.3467 3.9126 3.9591 4.2588 4.2869 8.1135 8.1196 8.6589 8.6795 8.7742 8.7992 9.3004 9.3392 k =-0.3053 0.4275 0.5545 ( 5655 PWs) bands (ev): -7.9086 -7.9084 -7.7881 -7.7877 -7.6027 -7.6019 -7.2227 -7.2214 -1.7963 -1.7741 -1.7365 -1.6844 -1.5244 -1.4510 -1.3994 -1.3623 -1.3414 -1.3261 -0.4356 -0.3693 0.3379 0.3683 0.4470 0.4825 1.4177 1.4953 1.7839 1.8291 2.0133 2.0559 2.2195 2.2980 2.7166 2.8586 3.0366 3.1054 3.2649 3.3291 3.9125 3.9574 4.2631 4.2925 8.1017 8.1075 8.6528 8.6702 8.7788 8.8035 9.3113 9.3465 k =-0.3137 0.4394 0.5399 ( 5661 PWs) bands (ev): -7.9093 -7.9091 -7.7873 -7.7869 -7.6040 -7.6032 -7.2216 -7.2202 -1.7967 -1.7741 -1.7385 -1.6825 -1.5265 -1.4462 -1.4031 -1.3618 -1.3417 -1.3248 -0.4380 -0.3723 0.3442 0.3764 0.4509 0.4851 1.4147 1.4930 1.8031 1.8555 2.0189 2.0524 2.1785 2.2593 2.7206 2.8569 3.0586 3.1218 3.2492 3.3157 3.9124 3.9558 4.2667 4.2971 8.0978 8.1037 8.6496 8.6661 8.7819 8.8069 9.3176 9.3500 k =-0.3137 0.4394 0.5399 ( 5661 PWs) bands (ev): -7.9093 -7.9091 -7.7873 -7.7869 -7.6040 -7.6032 -7.2216 -7.2202 -1.7967 -1.7741 -1.7385 -1.6825 -1.5265 -1.4462 -1.4031 -1.3618 -1.3417 -1.3248 -0.4380 -0.3723 0.3442 0.3764 0.4509 0.4851 1.4147 1.4930 1.8031 1.8555 2.0189 2.0524 2.1785 2.2593 2.7206 2.8569 3.0586 3.1218 3.2492 3.3157 3.9124 3.9558 4.2667 4.2971 8.0978 8.1037 8.6496 8.6661 8.7819 8.8069 9.3176 9.3500 k =-0.3050 0.4272 0.5249 ( 5665 PWs) bands (ev): -7.9200 -7.9198 -7.7678 -7.7674 -7.6111 -7.6102 -7.2206 -7.2192 -1.7962 -1.7728 -1.7363 -1.6819 -1.5232 -1.4449 -1.4023 -1.3590 -1.3429 -1.3239 -0.4478 -0.3853 0.3271 0.3687 0.4867 0.5043 1.3864 1.4608 1.7937 1.8411 2.0088 2.0405 2.1485 2.2275 2.7187 2.8580 3.0636 3.0977 3.2499 3.3378 3.9170 3.9574 4.2775 4.3077 8.1652 8.1701 8.6929 8.7097 8.8411 8.8709 9.3382 9.3764 k =-0.2963 0.4150 0.5099 ( 5669 PWs) bands (ev): -7.9357 -7.9354 -7.7477 -7.7473 -7.6132 -7.6122 -7.2197 -7.2183 -1.7953 -1.7716 -1.7338 -1.6813 -1.5195 -1.4438 -1.4014 -1.3563 -1.3442 -1.3231 -0.4605 -0.4013 0.2965 0.3423 0.5356 0.5471 1.3592 1.4300 1.7848 1.8290 2.0011 2.0308 2.1163 2.1941 2.7187 2.8598 3.0590 3.0827 3.2599 3.3655 3.9179 3.9554 4.2858 4.3158 8.2339 8.2377 8.7311 8.7477 8.8894 8.9237 9.3546 9.3984 k =-0.2876 0.4028 0.4949 ( 5671 PWs) bands (ev): -7.9556 -7.9554 -7.7272 -7.7268 -7.6107 -7.6097 -7.2188 -7.2174 -1.7939 -1.7703 -1.7311 -1.6808 -1.5153 -1.4428 -1.4005 -1.3541 -1.3454 -1.3225 -0.4756 -0.4201 0.2631 0.3105 0.5870 0.5983 1.3334 1.4014 1.7761 1.8187 1.9956 2.0229 2.0834 2.1597 2.7195 2.8611 3.0430 3.0831 3.2781 3.3971 3.9148 3.9494 4.2916 4.3216 8.3035 8.3060 8.7640 8.7798 8.9266 8.9641 9.3692 9.4176 k =-0.2789 0.3906 0.4799 ( 5665 PWs) bands (ev): -7.9792 -7.9789 -7.7062 -7.7058 -7.6044 -7.6034 -7.2180 -7.2166 -1.7921 -1.7690 -1.7282 -1.6803 -1.5108 -1.4419 -1.3996 -1.3529 -1.3458 -1.3219 -0.4929 -0.4410 0.2294 0.2776 0.6379 0.6521 1.3099 1.3761 1.7672 1.8096 1.9916 2.0160 2.0524 2.1253 2.7207 2.8610 3.0297 3.0887 3.3027 3.4316 3.9075 3.9394 4.2948 4.3249 8.3737 8.3747 8.7916 8.8058 8.9536 8.9923 9.3835 9.4350 k =-0.2701 0.3784 0.4649 ( 5673 PWs) bands (ev): -8.0054 -8.0052 -7.6849 -7.6845 -7.5951 -7.5941 -7.2173 -7.2159 -1.7900 -1.7677 -1.7251 -1.6800 -1.5059 -1.4413 -1.3987 -1.3537 -1.3446 -1.3215 -0.5118 -0.4635 0.1962 0.2450 0.6867 0.7054 1.2898 1.3551 1.7577 1.8003 1.9854 2.0067 2.0307 2.0919 2.7227 2.8588 3.0237 3.0966 3.3322 3.4685 3.8959 3.9251 4.2954 4.3260 8.4431 8.4441 8.8145 8.8260 8.9720 9.0099 9.3979 9.4509 k =-0.2614 0.3662 0.4499 ( 5673 PWs) bands (ev): -8.0336 -8.0334 -7.6633 -7.6629 -7.5835 -7.5824 -7.2166 -7.2152 -1.7874 -1.7664 -1.7218 -1.6798 -1.5007 -1.4409 -1.3978 -1.3557 -1.3425 -1.3212 -0.5320 -0.4874 0.1640 0.2132 0.7316 0.7559 1.2747 1.3399 1.7477 1.7896 1.9678 1.9979 2.0230 2.0622 2.7262 2.8553 3.0255 3.1064 3.3656 3.5073 3.8800 3.9067 4.2935 4.3250 8.5107 8.5140 8.8334 8.8413 8.9838 9.0192 9.4117 9.4648 k =-0.2527 0.3540 0.4349 ( 5683 PWs) bands (ev): -8.0632 -8.0630 -7.6416 -7.6412 -7.5700 -7.5690 -7.2160 -7.2146 -1.7844 -1.7650 -1.7184 -1.6797 -1.4952 -1.4407 -1.3971 -1.3582 -1.3401 -1.3211 -0.5531 -0.5120 0.1328 0.1823 0.7711 0.8013 1.2666 1.3318 1.7367 1.7761 1.9434 1.9880 2.0205 2.0428 2.7325 2.8524 3.0336 3.1171 3.4020 3.5477 3.8599 3.8840 4.2893 4.3223 8.5765 8.5827 8.8494 8.8531 8.9910 9.0228 9.4232 9.4758 k =-0.2440 0.3418 0.4199 ( 5673 PWs) bands (ev): -8.0936 -8.0935 -7.6197 -7.6193 -7.5553 -7.5542 -7.2155 -7.2140 -1.7810 -1.7636 -1.7149 -1.6796 -1.4895 -1.4407 -1.3963 -1.3611 -1.3377 -1.3210 -0.5749 -0.5371 0.1027 0.1526 0.8035 0.8390 1.2678 1.3323 1.7244 1.7595 1.9201 1.9670 2.0207 2.0382 2.7428 2.8523 3.0460 3.1279 3.4407 3.5895 3.8357 3.8574 4.2832 4.3184 8.6389 8.6489 8.8615 8.8664 8.9958 9.0233 9.4303 9.4825 k =-0.2353 0.3295 0.4049 ( 5687 PWs) bands (ev): -8.1245 -8.1243 -7.5978 -7.5974 -7.5395 -7.5385 -7.2150 -7.2136 -1.7774 -1.7621 -1.7113 -1.6798 -1.4837 -1.4409 -1.3958 -1.3642 -1.3353 -1.3211 -0.5969 -0.5623 0.0737 0.1240 0.8276 0.8671 1.2804 1.3422 1.7104 1.7402 1.8996 1.9398 2.0239 2.0411 2.7582 2.8566 3.0610 3.1379 3.4811 3.6319 3.8079 3.8273 4.2755 4.3139 8.6951 8.7098 8.8728 8.8843 8.9999 9.0227 9.4307 9.4830 k =-0.2266 0.3173 0.3899 ( 5679 PWs) bands (ev): -8.1556 -8.1554 -7.5759 -7.5755 -7.5231 -7.5220 -7.2147 -7.2132 -1.7734 -1.7606 -1.7078 -1.6799 -1.4777 -1.4414 -1.3954 -1.3674 -1.3330 -1.3213 -0.6190 -0.5871 0.0459 0.0966 0.8435 0.8847 1.3049 1.3610 1.6940 1.7199 1.8815 1.9116 2.0287 2.0466 2.7793 2.8666 3.0772 3.1462 3.5226 3.6737 3.7780 3.7942 4.2669 4.3093 8.7404 8.7589 8.8917 8.9090 9.0048 9.0228 9.4221 9.4757 k =-0.2179 0.3051 0.3749 ( 5679 PWs) bands (ev): -8.1865 -8.1864 -7.5541 -7.5537 -7.5062 -7.5051 -7.2144 -7.2130 -1.7691 -1.7591 -1.7043 -1.6802 -1.4718 -1.4420 -1.3951 -1.3706 -1.3309 -1.3216 -0.6408 -0.6114 0.0193 0.0704 0.8521 0.8932 1.3399 1.3870 1.6747 1.7010 1.8648 1.8839 2.0343 2.0535 2.8062 2.8827 3.0934 3.1521 3.5643 3.7044 3.7549 3.7611 4.2579 4.3053 8.7700 8.7878 8.9262 8.9436 9.0121 9.0248 9.4020 9.4586 k =-0.2091 0.2929 0.3599 ( 5679 PWs) bands (ev): -8.2172 -8.2170 -7.5325 -7.5321 -7.4890 -7.4880 -7.2141 -7.2127 -1.7646 -1.7576 -1.7009 -1.6805 -1.4661 -1.4427 -1.3951 -1.3739 -1.3289 -1.3220 -0.6622 -0.6349 -0.0061 0.0455 0.8550 0.8950 1.3829 1.4171 1.6536 1.6852 1.8482 1.8576 2.0407 2.0610 2.8383 2.9047 3.1089 3.1548 3.6032 3.6882 3.7257 3.7805 4.2494 4.3027 8.7830 8.7970 8.9735 8.9841 9.0248 9.0300 9.3662 9.4266 k =-0.2004 0.2807 0.3449 ( 5675 PWs) bands (ev): -8.2474 -8.2472 -7.5111 -7.5107 -7.4716 -7.4706 -7.2140 -7.2126 -1.7600 -1.7561 -1.6976 -1.6809 -1.4610 -1.4431 -1.3954 -1.3771 -1.3272 -1.3224 -0.6829 -0.6572 -0.0303 0.0217 0.8543 0.8927 1.4305 1.4467 1.6329 1.6741 1.8292 1.8349 2.0478 2.0691 2.8745 2.9319 3.1229 3.1546 3.6258 3.6518 3.7075 3.8232 4.2420 4.3020 8.7813 8.7932 9.0129 9.0185 9.0429 9.0540 9.3079 9.3568 k =-0.1917 0.2685 0.3299 ( 5691 PWs) bands (ev): -8.2770 -8.2768 -7.4901 -7.4897 -7.4543 -7.4533 -7.2139 -7.2126 -1.7554 -1.7545 -1.6945 -1.6813 -1.4573 -1.4425 -1.3958 -1.3802 -1.3258 -1.3228 -0.7028 -0.6783 -0.0533 -0.0008 0.8515 0.8883 1.4697 1.4794 1.6150 1.6714 1.8060 1.8172 2.0558 2.0775 2.9123 2.9633 3.1326 3.1540 3.6045 3.6182 3.7280 3.8687 4.2367 4.3039 8.7666 8.7784 9.0265 9.0331 9.0720 9.0890 9.2378 9.2639 k =-0.1830 0.2563 0.3149 ( 5685 PWs) bands (ev): -8.3059 -8.3057 -7.4694 -7.4690 -7.4371 -7.4361 -7.2139 -7.2126 -1.7534 -1.7503 -1.6917 -1.6818 -1.4560 -1.4398 -1.3963 -1.3832 -1.3253 -1.3226 -0.7217 -0.6981 -0.0751 -0.0222 0.8480 0.8836 1.4808 1.5236 1.6035 1.6815 1.7835 1.8006 2.0648 2.0864 2.9474 2.9977 3.1297 3.1619 3.5656 3.5853 3.7681 3.9148 4.2341 4.3088 8.7386 8.7508 9.0080 9.0177 9.0713 9.0942 9.2121 9.2225 k =-0.1743 0.2441 0.2999 ( 5671 PWs) bands (ev): -8.3339 -8.3338 -7.4491 -7.4487 -7.4200 -7.4191 -7.2139 -7.2126 -1.7520 -1.7455 -1.6891 -1.6822 -1.4569 -1.4354 -1.3969 -1.3861 -1.3256 -1.3219 -0.7394 -0.7163 -0.0956 -0.0424 0.8449 0.8795 1.4793 1.5467 1.6108 1.7048 1.7632 1.7858 2.0745 2.0956 2.9743 3.0336 3.1172 3.1760 3.5298 3.5541 3.8130 3.9608 4.2350 4.3169 8.6957 8.7081 8.9204 8.9344 9.0758 9.0962 9.2276 9.2432 k =-0.1656 0.2319 0.2849 ( 5677 PWs) bands (ev): -8.3611 -8.3609 -7.4294 -7.4290 -7.4033 -7.4024 -7.2140 -7.2128 -1.7508 -1.7407 -1.6868 -1.6827 -1.4590 -1.4303 -1.3975 -1.3889 -1.3264 -1.3212 -0.7558 -0.7331 -0.1150 -0.0615 0.8429 0.8769 1.4698 1.5421 1.6364 1.7319 1.7500 1.7779 2.0847 2.1050 2.9897 3.0642 3.1027 3.1892 3.5043 3.5306 3.8595 4.0061 4.2400 4.3283 8.6366 8.6490 8.8065 8.8211 9.0850 9.1102 9.2299 9.2646 k =-0.1569 0.2197 0.2699 ( 5681 PWs) bands (ev): -8.3872 -8.3871 -7.4103 -7.4099 -7.3870 -7.3861 -7.2141 -7.2130 -1.7497 -1.7362 -1.6849 -1.6832 -1.4617 -1.4252 -1.3978 -1.3915 -1.3273 -1.3206 -0.7709 -0.7483 -0.1331 -0.0795 0.8426 0.8764 1.4571 1.5290 1.6513 1.7251 1.7740 1.7891 2.0952 2.1142 2.9937 3.0641 3.1065 3.1935 3.4975 3.5207 3.9065 4.0503 4.2494 4.3428 8.5615 8.5746 8.6866 8.7016 9.0892 9.1240 9.2295 9.2756 k =-0.1481 0.2075 0.2550 ( 5689 PWs) bands (ev): -8.4123 -8.4122 -7.3917 -7.3914 -7.3711 -7.3702 -7.2143 -7.2132 -1.7487 -1.7319 -1.6838 -1.6831 -1.4646 -1.4204 -1.3979 -1.3939 -1.3284 -1.3202 -0.7845 -0.7621 -0.1499 -0.0964 0.8445 0.8782 1.4437 1.5143 1.6475 1.7082 1.8081 1.8194 2.1054 2.1228 2.9886 3.0403 3.1169 3.1826 3.5149 3.5299 3.9537 4.0929 4.2635 4.3602 8.4725 8.4870 8.5658 8.5816 9.0845 9.1308 9.2399 9.2890 k =-0.1394 0.1953 0.2400 ( 5695 PWs) bands (ev): -8.4362 -8.4361 -7.3739 -7.3736 -7.3558 -7.3549 -7.2146 -7.2135 -1.7478 -1.7280 -1.6842 -1.6820 -1.4677 -1.4165 -1.3978 -1.3955 -1.3296 -1.3201 -0.7966 -0.7745 -0.1655 -0.1123 0.8487 0.8826 1.4312 1.4996 1.6340 1.6901 1.8458 1.8532 2.1149 2.1303 2.9769 3.0113 3.1145 3.1580 3.5534 3.5605 4.0009 4.1334 4.2824 4.3799 8.3730 8.3894 8.4461 8.4627 9.0709 9.1264 9.2618 9.3114 k =-0.1307 0.1831 0.2250 ( 5695 PWs) bands (ev): -8.4589 -8.4589 -7.3569 -7.3566 -7.3410 -7.3402 -7.2148 -7.2138 -1.7471 -1.7245 -1.6846 -1.6812 -1.4706 -1.4144 -1.3978 -1.3951 -1.3309 -1.3203 -0.8072 -0.7855 -0.1799 -0.1273 0.8555 0.8900 1.4204 1.4856 1.6174 1.6720 1.8801 1.8871 2.1230 2.1359 2.9611 2.9805 3.1007 3.1257 3.6034 3.6116 4.0480 4.1716 4.3060 4.4017 8.2668 8.2845 8.3291 8.3455 9.0490 9.1100 9.2918 9.3420 k =-0.1220 0.1709 0.2100 ( 5687 PWs) bands (ev): -8.4804 -8.4804 -7.3407 -7.3404 -7.3269 -7.3262 -7.2151 -7.2142 -1.7465 -1.7215 -1.6849 -1.6806 -1.4733 -1.4146 -1.3975 -1.3927 -1.3323 -1.3206 -0.8164 -0.7952 -0.1931 -0.1413 0.8650 0.9002 1.4117 1.4724 1.6005 1.6544 1.9062 1.9205 2.1288 2.1388 2.9429 2.9502 3.0802 3.0911 3.6619 3.6750 4.0949 4.2076 4.3334 4.4249 8.1566 8.1747 8.2160 8.2307 9.0194 9.0822 9.3270 9.3785 k =-0.1133 0.1587 0.1950 ( 5691 PWs) bands (ev): -8.5006 -8.5006 -7.3253 -7.3250 -7.3135 -7.3129 -7.2154 -7.2145 -1.7459 -1.7192 -1.6852 -1.6804 -1.4757 -1.4166 -1.3965 -1.3892 -1.3337 -1.3212 -0.8242 -0.8038 -0.2051 -0.1544 0.8772 0.9135 1.4054 1.4600 1.5845 1.6377 1.9248 1.9491 2.1314 2.1383 2.9183 2.9281 3.0571 3.0583 3.7268 3.7439 4.1416 4.2418 4.3639 4.4491 8.0443 8.0617 8.1078 8.1195 8.9823 9.0441 9.3654 9.4185 k =-0.1046 0.1465 0.1800 ( 5703 PWs) bands (ev): -8.5195 -8.5194 -7.3109 -7.3106 -7.3010 -7.3003 -7.2157 -7.2149 -1.7455 -1.7176 -1.6855 -1.6803 -1.4776 -1.4196 -1.3952 -1.3852 -1.3352 -1.3219 -0.8308 -0.8113 -0.2158 -0.1667 0.8919 0.9297 1.4018 1.4484 1.5701 1.6223 1.9359 1.9709 2.1290 2.1346 2.8922 2.9127 3.0278 3.0355 3.7950 3.8153 4.1884 4.2751 4.3960 4.4736 7.9309 7.9473 8.0051 8.0137 8.9386 8.9973 9.4058 9.4605 k =-0.0959 0.1343 0.1650 ( 5691 PWs) bands (ev): -8.5370 -8.5369 -7.2975 -7.2972 -7.2892 -7.2886 -7.2161 -7.2153 -1.7452 -1.7168 -1.6856 -1.6804 -1.4790 -1.4230 -1.3936 -1.3810 -1.3367 -1.3227 -0.8362 -0.8178 -0.2253 -0.1782 0.9091 0.9487 1.4009 1.4374 1.5577 1.6084 1.9388 1.9850 2.1197 2.1284 2.8705 2.9010 3.0026 3.0158 3.8637 3.8868 4.2355 4.3083 4.4287 4.4981 7.8177 7.8330 7.9084 7.9144 8.8899 8.9442 9.4472 9.5033 k =-0.0871 0.1221 0.1500 ( 5681 PWs) bands (ev): -8.5530 -8.5530 -7.2850 -7.2848 -7.2782 -7.2777 -7.2164 -7.2157 -1.7448 -1.7167 -1.6857 -1.6806 -1.4799 -1.4268 -1.3918 -1.3771 -1.3381 -1.3236 -0.8405 -0.8234 -0.2336 -0.1888 0.9286 0.9703 1.4028 1.4271 1.5476 1.5963 1.9333 1.9908 2.1041 2.1188 2.8546 2.8930 2.9830 2.9997 3.9308 3.9563 4.2830 4.3421 4.4611 4.5220 7.7061 7.7204 7.8180 7.8223 8.8380 8.8872 9.4889 9.5458 k =-0.0784 0.1098 0.1350 ( 5689 PWs) bands (ev): -8.5677 -8.5676 -7.2737 -7.2735 -7.2682 -7.2677 -7.2167 -7.2161 -1.7445 -1.7174 -1.6857 -1.6808 -1.4802 -1.4307 -1.3898 -1.3734 -1.3394 -1.3246 -0.8440 -0.8283 -0.2407 -0.1988 0.9500 0.9941 1.4075 1.4176 1.5397 1.5861 1.9193 1.9883 2.0835 2.1056 2.8447 2.8881 2.9695 2.9876 3.9944 4.0219 4.3313 4.3775 4.4922 4.5448 7.5978 7.6110 7.7345 7.7377 8.7851 8.8289 9.5301 9.5870 k =-0.0697 0.0976 0.1200 ( 5685 PWs) bands (ev): -8.5808 -8.5808 -7.2634 -7.2633 -7.2591 -7.2587 -7.2170 -7.2165 -1.7441 -1.7186 -1.6856 -1.6811 -1.4799 -1.4346 -1.3876 -1.3703 -1.3405 -1.3256 -0.8466 -0.8324 -0.2467 -0.2079 0.9730 1.0196 1.4090 1.4153 1.5340 1.5780 1.8976 1.9775 2.0592 2.0896 2.8405 2.8853 2.9621 2.9798 4.0527 4.0815 4.3805 4.4149 4.5215 4.5663 7.4942 7.5061 7.6584 7.6608 8.7331 8.7716 9.5702 9.6260 k =-0.0610 0.0854 0.1050 ( 5681 PWs) bands (ev): -8.5925 -8.5924 -7.2543 -7.2542 -7.2509 -7.2506 -7.2173 -7.2169 -1.7437 -1.7203 -1.6856 -1.6813 -1.4792 -1.4385 -1.3853 -1.3677 -1.3412 -1.3267 -0.8485 -0.8360 -0.2514 -0.2164 0.9971 1.0460 1.4022 1.4255 1.5299 1.5721 1.8693 1.9584 2.0339 2.0715 2.8406 2.8837 2.9605 2.9760 4.1046 4.1336 4.4300 4.4543 4.5486 4.5860 7.3969 7.4075 7.5900 7.5918 8.6837 8.7170 9.6085 9.6620 k =-0.0523 0.0732 0.0900 ( 5691 PWs) bands (ev): -8.6026 -8.6026 -7.2463 -7.2463 -7.2437 -7.2435 -7.2176 -7.2173 -1.7431 -1.7224 -1.6855 -1.6816 -1.4780 -1.4424 -1.3831 -1.3660 -1.3415 -1.3278 -0.8499 -0.8390 -0.2551 -0.2241 1.0217 1.0722 1.3977 1.4383 1.5268 1.5684 1.8363 1.9311 2.0105 2.0524 2.8439 2.8825 2.9633 2.9755 4.1493 4.1770 4.4790 4.4952 4.5731 4.6036 7.3073 7.3166 7.5299 7.5313 8.6384 8.6667 9.6445 9.6940 k =-0.0436 0.0610 0.0750 ( 5689 PWs) bands (ev): -8.6112 -8.6112 -7.2397 -7.2396 -7.2375 -7.2373 -7.2179 -7.2176 -1.7425 -1.7247 -1.6853 -1.6820 -1.4764 -1.4462 -1.3807 -1.3651 -1.3413 -1.3289 -0.8507 -0.8416 -0.2576 -0.2311 1.0461 1.0967 1.3966 1.4533 1.5238 1.5669 1.8008 1.8973 1.9907 2.0329 2.8490 2.8815 2.9688 2.9775 4.1868 4.2118 4.5257 4.5358 4.5950 4.6188 7.2273 7.2352 7.4784 7.4794 8.5985 8.6218 9.6774 9.7211 k =-0.0349 0.0488 0.0600 ( 5693 PWs) bands (ev): -8.6183 -8.6183 -7.2342 -7.2340 -7.2323 -7.2322 -7.2183 -7.2180 -1.7416 -1.7271 -1.6851 -1.6823 -1.4744 -1.4499 -1.3784 -1.3650 -1.3405 -1.3301 -0.8511 -0.8438 -0.2591 -0.2374 1.0696 1.1177 1.4003 1.4701 1.5198 1.5669 1.7661 1.8597 1.9751 2.0137 2.8548 2.8807 2.9755 2.9812 4.2171 4.2382 4.5680 4.5732 4.6143 4.6316 7.1586 7.1649 7.4357 7.4365 8.5649 8.5835 9.7068 9.7428 k =-0.0261 0.0366 0.0450 ( 5707 PWs) bands (ev): -8.6238 -8.6238 -7.2299 -7.2297 -7.2282 -7.2281 -7.2186 -7.2184 -1.7405 -1.7295 -1.6849 -1.6827 -1.4721 -1.4536 -1.3762 -1.3657 -1.3394 -1.3313 -0.8512 -0.8457 -0.2595 -0.2430 1.0914 1.1331 1.4099 1.4878 1.5133 1.5669 1.7365 1.8213 1.9638 1.9959 2.8606 2.8798 2.9819 2.9853 4.2408 4.2571 4.6029 4.6043 4.6318 4.6422 7.1029 7.1077 7.4023 7.4028 8.5385 8.5523 9.7320 9.7584 k =-0.0174 0.0244 0.0300 ( 5703 PWs) bands (ev): -8.6278 -8.6278 -7.2268 -7.2265 -7.2251 -7.2250 -7.2191 -7.2188 -1.7392 -1.7318 -1.6846 -1.6831 -1.4695 -1.4571 -1.3740 -1.3668 -1.3381 -1.3326 -0.8509 -0.8473 -0.2590 -0.2478 1.1105 1.1416 1.4254 1.5007 1.5081 1.5639 1.7177 1.7846 1.9573 1.9803 2.8659 2.8785 2.9871 2.9890 4.2582 4.2693 4.6247 4.6279 4.6482 4.6517 7.0619 7.0652 7.3782 7.3786 8.5198 8.5290 9.7526 9.7682 k =-0.0087 0.0122 0.0150 ( 5703 PWs) bands (ev): -8.6301 -8.6301 -7.2247 -7.2245 -7.2232 -7.2231 -7.2195 -7.2194 -1.7377 -1.7340 -1.6843 -1.6835 -1.4667 -1.4604 -1.3719 -1.3682 -1.3367 -1.3339 -0.8504 -0.8485 -0.2575 -0.2519 1.1262 1.1428 1.4454 1.4867 1.5245 1.5551 1.7148 1.7524 1.9558 1.9679 2.8704 2.8767 2.9906 2.9914 4.2696 4.2752 4.6360 4.6392 4.6607 4.6611 7.0371 7.0387 7.3638 7.3639 8.5094 8.5140 9.7680 9.7734 k = 0.0000 0.0000 0.0000 ( 5701 PWs) bands (ev): -8.6309 -8.6309 -7.2239 -7.2239 -7.2224 -7.2224 -7.2197 -7.2197 -1.7360 -1.7360 -1.6839 -1.6839 -1.4637 -1.4637 -1.3700 -1.3700 -1.3353 -1.3353 -0.8496 -0.8496 -0.2551 -0.2551 1.1373 1.1373 1.4670 1.4670 1.5411 1.5411 1.7277 1.7277 1.9595 1.9595 2.8740 2.8740 2.9921 2.9921 4.2753 4.2753 4.6407 4.6407 4.6653 4.6653 7.0292 7.0292 7.3590 7.3590 8.5074 8.5074 9.7754 9.7755 k = 0.0000 0.0000 0.0000 ( 5701 PWs) bands (ev): -8.6309 -8.6309 -7.2239 -7.2239 -7.2224 -7.2224 -7.2197 -7.2197 -1.7360 -1.7360 -1.6839 -1.6839 -1.4637 -1.4637 -1.3700 -1.3700 -1.3353 -1.3353 -0.8496 -0.8496 -0.2551 -0.2551 1.1373 1.1373 1.4670 1.4670 1.5411 1.5411 1.7277 1.7277 1.9595 1.9595 2.8740 2.8740 2.9921 2.9921 4.2753 4.2753 4.6407 4.6407 4.6653 4.6653 7.0292 7.0292 7.3590 7.3590 8.5074 8.5074 9.7754 9.7754 k = 0.0172 0.0123-0.0000 ( 5698 PWs) bands (ev): -8.6301 -8.6301 -7.2240 -7.2240 -7.2224 -7.2224 -7.2211 -7.2211 -1.7364 -1.7364 -1.6838 -1.6838 -1.4637 -1.4637 -1.3699 -1.3699 -1.3353 -1.3353 -0.8478 -0.8478 -0.2569 -0.2569 1.1405 1.1405 1.4676 1.4676 1.5422 1.5422 1.7202 1.7202 1.9690 1.9690 2.8749 2.8749 2.9929 2.9929 4.2720 4.2720 4.6354 4.6354 4.6634 4.6634 7.0347 7.0347 7.3635 7.3635 8.5082 8.5082 9.7561 9.7562 k = 0.0345 0.0246-0.0000 ( 5710 PWs) bands (ev): -8.6277 -8.6277 -7.2253 -7.2253 -7.2239 -7.2239 -7.2226 -7.2226 -1.7376 -1.7376 -1.6838 -1.6838 -1.4638 -1.4638 -1.3696 -1.3696 -1.3356 -1.3356 -0.8425 -0.8425 -0.2621 -0.2621 1.1499 1.1499 1.4694 1.4694 1.5455 1.5455 1.7012 1.7012 1.9943 1.9943 2.8776 2.8776 2.9955 2.9955 4.2619 4.2619 4.6198 4.6198 4.6576 4.6576 7.0508 7.0508 7.3770 7.3770 8.5107 8.5107 9.7027 9.7027 k = 0.0517 0.0369-0.0000 ( 5706 PWs) bands (ev): -8.6236 -8.6236 -7.2321 -7.2321 -7.2242 -7.2242 -7.2228 -7.2228 -1.7395 -1.7395 -1.6837 -1.6837 -1.4641 -1.4641 -1.3692 -1.3692 -1.3359 -1.3359 -0.8338 -0.8338 -0.2705 -0.2705 1.1652 1.1652 1.4718 1.4718 1.5509 1.5509 1.6765 1.6765 2.0298 2.0298 2.8820 2.8820 2.9997 2.9997 4.2449 4.2449 4.5950 4.5950 4.6481 4.6481 7.0762 7.0762 7.3998 7.3998 8.5148 8.5148 9.6243 9.6244 k = 0.0690 0.0492-0.0000 ( 5686 PWs) bands (ev): -8.6179 -8.6179 -7.2415 -7.2415 -7.2245 -7.2245 -7.2231 -7.2231 -1.7419 -1.7419 -1.6836 -1.6836 -1.4643 -1.4643 -1.3687 -1.3687 -1.3364 -1.3364 -0.8217 -0.8217 -0.2816 -0.2816 1.1860 1.1860 1.4741 1.4741 1.5580 1.5580 1.6516 1.6516 2.0715 2.0715 2.8881 2.8881 3.0056 3.0056 4.2204 4.2204 4.5628 4.5628 4.6350 4.6350 7.1093 7.1093 7.4324 7.4324 8.5203 8.5203 9.5290 9.5290 k = 0.0862 0.0616-0.0000 ( 5686 PWs) bands (ev): -8.6106 -8.6106 -7.2536 -7.2536 -7.2249 -7.2249 -7.2235 -7.2235 -1.7448 -1.7448 -1.6837 -1.6837 -1.4647 -1.4647 -1.3682 -1.3682 -1.3370 -1.3370 -0.8065 -0.8065 -0.2951 -0.2951 1.2113 1.2113 1.4748 1.4748 1.5665 1.5665 1.6307 1.6307 2.1170 2.1170 2.8959 2.8959 3.0130 3.0130 4.1880 4.1880 4.5254 4.5254 4.6184 4.6184 7.1482 7.1482 7.4749 7.4749 8.5270 8.5270 9.4222 9.4223 k = 0.1034 0.0739-0.0000 ( 5690 PWs) bands (ev): -8.6016 -8.6016 -7.2682 -7.2682 -7.2253 -7.2253 -7.2239 -7.2239 -1.7480 -1.7480 -1.6839 -1.6839 -1.4651 -1.4651 -1.3679 -1.3679 -1.3378 -1.3378 -0.7885 -0.7885 -0.3102 -0.3102 1.2401 1.2401 1.4723 1.4723 1.5750 1.5750 1.6185 1.6185 2.1650 2.1650 2.9053 2.9053 3.0219 3.0219 4.1471 4.1471 4.4850 4.4850 4.5986 4.5986 7.1910 7.1910 7.5272 7.5272 8.5347 8.5347 9.3078 9.3078 k = 0.1207 0.0862-0.0000 ( 5666 PWs) bands (ev): -8.5911 -8.5911 -7.2852 -7.2852 -7.2258 -7.2258 -7.2244 -7.2244 -1.7514 -1.7514 -1.6843 -1.6843 -1.4655 -1.4655 -1.3677 -1.3677 -1.3386 -1.3386 -0.7680 -0.7680 -0.3263 -0.3263 1.2705 1.2705 1.4659 1.4659 1.5827 1.5827 1.6186 1.6186 2.2147 2.2147 2.9161 2.9161 3.0322 3.0322 4.0978 4.0978 4.4433 4.4433 4.5757 4.5757 7.2365 7.2365 7.5887 7.5887 8.5429 8.5429 9.1884 9.1884 k = 0.1379 0.0985-0.0000 ( 5666 PWs) bands (ev): -8.5790 -8.5790 -7.3046 -7.3046 -7.2264 -7.2264 -7.2250 -7.2250 -1.7548 -1.7548 -1.6849 -1.6849 -1.4660 -1.4660 -1.3678 -1.3678 -1.3396 -1.3396 -0.7456 -0.7456 -0.3425 -0.3425 1.2990 1.2990 1.4586 1.4586 1.5914 1.5914 1.6291 1.6291 2.2655 2.2655 2.9283 2.9283 3.0438 3.0438 4.0404 4.0404 4.4019 4.4019 4.5501 4.5501 7.2841 7.2841 7.6580 7.6580 8.5513 8.5513 9.0660 9.0660 k = 0.1552 0.1108-0.0000 ( 5666 PWs) bands (ev): -8.5653 -8.5653 -7.3262 -7.3262 -7.2270 -7.2270 -7.2256 -7.2256 -1.7582 -1.7582 -1.6857 -1.6857 -1.4665 -1.4665 -1.3682 -1.3682 -1.3408 -1.3408 -0.7221 -0.7221 -0.3579 -0.3579 1.3193 1.3193 1.4584 1.4584 1.6035 1.6035 1.6453 1.6453 2.3170 2.3170 2.9418 2.9418 3.0564 3.0564 3.9759 3.9759 4.3613 4.3613 4.5220 4.5220 7.3336 7.3336 7.7334 7.7334 8.5590 8.5590 8.9422 8.9422 k = 0.1724 0.1231-0.0000 ( 5662 PWs) bands (ev): -8.5501 -8.5501 -7.3499 -7.3499 -7.2276 -7.2276 -7.2263 -7.2263 -1.7615 -1.7615 -1.6867 -1.6867 -1.4669 -1.4669 -1.3690 -1.3690 -1.3420 -1.3420 -0.6986 -0.6986 -0.3712 -0.3712 1.3245 1.3245 1.4735 1.4735 1.6193 1.6193 1.6651 1.6651 2.3688 2.3688 2.9563 2.9564 3.0699 3.0699 3.9055 3.9055 4.3219 4.3219 4.4918 4.4918 7.3851 7.3851 7.8131 7.8131 8.5650 8.5650 8.8182 8.8182 k = 0.1897 0.1354-0.0000 ( 5658 PWs) bands (ev): -8.5334 -8.5334 -7.3756 -7.3756 -7.2283 -7.2283 -7.2270 -7.2270 -1.7645 -1.7645 -1.6879 -1.6879 -1.4673 -1.4673 -1.3701 -1.3701 -1.3434 -1.3434 -0.6764 -0.6764 -0.3810 -0.3810 1.3159 1.3159 1.5035 1.5035 1.6381 1.6381 1.6875 1.6875 2.4206 2.4206 2.9718 2.9718 3.0842 3.0842 3.8307 3.8307 4.2837 4.2837 4.4599 4.4599 7.4385 7.4385 7.8948 7.8948 8.5673 8.5673 8.6951 8.6951 k = 0.2069 0.1477-0.0000 ( 5666 PWs) bands (ev): -8.5152 -8.5152 -7.4031 -7.4031 -7.2290 -7.2290 -7.2278 -7.2278 -1.7674 -1.7674 -1.6893 -1.6893 -1.4677 -1.4677 -1.3715 -1.3715 -1.3449 -1.3449 -0.6573 -0.6573 -0.3855 -0.3855 1.3001 1.3001 1.5417 1.5417 1.6594 1.6594 1.7121 1.7121 2.4722 2.4722 2.9880 2.9880 3.0988 3.0988 3.7531 3.7531 4.2465 4.2465 4.4266 4.4266 7.4940 7.4940 7.9764 7.9764 8.5507 8.5507 8.5743 8.5743 k = 0.2241 0.1600-0.0000 ( 5678 PWs) bands (ev): -8.4955 -8.4955 -7.4323 -7.4323 -7.2298 -7.2298 -7.2286 -7.2286 -1.7699 -1.7699 -1.6908 -1.6908 -1.4681 -1.4681 -1.3733 -1.3733 -1.3464 -1.3464 -0.6435 -0.6435 -0.3827 -0.3827 1.2818 1.2818 1.5832 1.5832 1.6829 1.6829 1.7390 1.7390 2.5232 2.5232 3.0046 3.0046 3.1135 3.1135 3.6741 3.6741 4.2105 4.2105 4.3924 4.3924 7.5515 7.5515 8.0553 8.0553 8.4530 8.4530 8.4590 8.4590 k = 0.2414 0.1723-0.0000 ( 5678 PWs) bands (ev): -8.4744 -8.4744 -7.4631 -7.4631 -7.2305 -7.2305 -7.2293 -7.2293 -1.7722 -1.7722 -1.6925 -1.6925 -1.4683 -1.4683 -1.3754 -1.3754 -1.3481 -1.3481 -0.6359 -0.6359 -0.3717 -0.3717 1.2632 1.2632 1.6253 1.6253 1.7082 1.7082 1.7679 1.7679 2.5733 2.5733 3.0215 3.0215 3.1278 3.1278 3.5950 3.5950 4.1756 4.1756 4.3576 4.3576 7.6109 7.6109 8.1281 8.1281 8.3382 8.3382 8.3467 8.3467 k = 0.2586 0.1847-0.0000 ( 5670 PWs) bands (ev): -8.4519 -8.4519 -7.4952 -7.4952 -7.2313 -7.2313 -7.2301 -7.2301 -1.7741 -1.7741 -1.6943 -1.6943 -1.4684 -1.4684 -1.3778 -1.3778 -1.3498 -1.3498 -0.6347 -0.6347 -0.3526 -0.3526 1.2452 1.2452 1.6661 1.6661 1.7350 1.7350 1.7989 1.7989 2.6222 2.6222 3.0383 3.0383 3.1411 3.1411 3.5173 3.5173 4.1421 4.1421 4.3227 4.3227 7.6716 7.6716 8.1866 8.1866 8.2265 8.2265 8.2402 8.2402 k = 0.2759 0.1970-0.0000 ( 5654 PWs) bands (ev): -8.4280 -8.4280 -7.5286 -7.5286 -7.2321 -7.2321 -7.2309 -7.2309 -1.7758 -1.7758 -1.6961 -1.6961 -1.4685 -1.4685 -1.3804 -1.3804 -1.3515 -1.3515 -0.6385 -0.6385 -0.3271 -0.3271 1.2286 1.2286 1.7044 1.7044 1.7632 1.7632 1.8320 1.8320 2.6696 2.6696 3.0547 3.0547 3.1526 3.1526 3.4425 3.4425 4.1102 4.1102 4.2881 4.2881 7.7331 7.7331 8.1193 8.1193 8.1270 8.1270 8.2356 8.2356 k = 0.2931 0.2093-0.0000 ( 5670 PWs) bands (ev): -8.4028 -8.4028 -7.5631 -7.5631 -7.2328 -7.2328 -7.2317 -7.2317 -1.7771 -1.7771 -1.6981 -1.6981 -1.4684 -1.4684 -1.3833 -1.3833 -1.3532 -1.3532 -0.6458 -0.6458 -0.2970 -0.2970 1.2136 1.2136 1.7395 1.7395 1.7921 1.7921 1.8667 1.8667 2.7151 2.7151 3.0704 3.0704 3.1605 3.1605 3.3732 3.3732 4.0802 4.0802 4.2542 4.2542 7.7942 7.7942 8.0172 8.0172 8.0269 8.0269 8.2426 8.2426 k = 0.3103 0.2216-0.0000 ( 5670 PWs) bands (ev): -8.3763 -8.3763 -7.5986 -7.5986 -7.2335 -7.2335 -7.2325 -7.2325 -1.7782 -1.7782 -1.7001 -1.7001 -1.4682 -1.4682 -1.3864 -1.3864 -1.3549 -1.3549 -0.6550 -0.6550 -0.2643 -0.2643 1.2004 1.2004 1.7716 1.7716 1.8210 1.8210 1.9023 1.9023 2.7582 2.7582 3.0849 3.0849 3.1611 3.1611 3.3138 3.3138 4.0525 4.0525 4.2215 4.2215 7.8518 7.8518 7.9218 7.9218 7.9317 7.9317 8.2135 8.2135 k = 0.3276 0.2339-0.0000 ( 5658 PWs) bands (ev): -8.3485 -8.3485 -7.6348 -7.6348 -7.2342 -7.2342 -7.2332 -7.2332 -1.7790 -1.7790 -1.7020 -1.7020 -1.4679 -1.4679 -1.3895 -1.3895 -1.3566 -1.3566 -0.6651 -0.6651 -0.2304 -0.2304 1.1892 1.1892 1.8011 1.8011 1.8493 1.8493 1.9377 1.9377 2.7985 2.7985 3.0970 3.0970 3.1476 3.1476 3.2729 3.2729 4.0274 4.0274 4.1903 4.1903 7.8275 7.8275 7.8413 7.8413 7.9096 7.9096 8.1630 8.1630 k = 0.3448 0.2462-0.0000 ( 5666 PWs) bands (ev): -8.3196 -8.3196 -7.6717 -7.6717 -7.2348 -7.2348 -7.2339 -7.2339 -1.7796 -1.7796 -1.7040 -1.7040 -1.4675 -1.4675 -1.3928 -1.3928 -1.3581 -1.3581 -0.6753 -0.6753 -0.1965 -0.1965 1.1799 1.1799 1.8281 1.8281 1.8763 1.8763 1.9719 1.9719 2.8351 2.8351 3.0973 3.0973 3.1261 3.1261 3.2546 3.2546 4.0052 4.0052 4.1611 4.1611 7.7447 7.7447 7.7584 7.7584 7.9459 7.9459 8.1138 8.1138 k = 0.3621 0.2585-0.0000 ( 5642 PWs) bands (ev): -8.2896 -8.2896 -7.7092 -7.7092 -7.2354 -7.2354 -7.2345 -7.2345 -1.7799 -1.7799 -1.7058 -1.7058 -1.4669 -1.4669 -1.3961 -1.3961 -1.3595 -1.3595 -0.6852 -0.6852 -0.1637 -0.1637 1.1727 1.1727 1.8528 1.8528 1.9018 1.9018 2.0036 2.0036 2.8667 2.8667 3.0648 3.0648 3.1280 3.1280 3.2499 3.2499 3.9860 3.9860 4.1342 4.1342 7.6681 7.6681 7.6824 7.6824 7.9452 7.9452 8.0940 8.0940 k = 0.3793 0.2708-0.0000 ( 5650 PWs) bands (ev): -8.2585 -8.2585 -7.7470 -7.7470 -7.2360 -7.2360 -7.2351 -7.2351 -1.7801 -1.7801 -1.7076 -1.7076 -1.4663 -1.4662 -1.3994 -1.3994 -1.3608 -1.3608 -0.6943 -0.6943 -0.1327 -0.1327 1.1672 1.1672 1.8751 1.8751 1.9253 1.9253 2.0323 2.0323 2.8905 2.8905 3.0292 3.0292 3.1357 3.1357 3.2499 3.2499 3.9699 3.9699 4.1099 4.1099 7.5991 7.5991 7.6140 7.6140 7.9055 7.9055 8.1058 8.1058 k = 0.3966 0.2831-0.0000 ( 5650 PWs) bands (ev): -8.2264 -8.2264 -7.7851 -7.7851 -7.2365 -7.2365 -7.2356 -7.2356 -1.7801 -1.7801 -1.7093 -1.7093 -1.4655 -1.4655 -1.4025 -1.4025 -1.3620 -1.3620 -0.7026 -0.7026 -0.1044 -0.1044 1.1634 1.1634 1.8948 1.8948 1.9466 1.9466 2.0572 2.0572 2.9003 2.9003 3.0071 3.0071 3.1427 3.1427 3.2509 3.2509 3.9569 3.9569 4.0885 4.0885 7.5381 7.5381 7.5536 7.5536 7.8547 7.8547 8.1209 8.1209 k = 0.4138 0.2954-0.0000 ( 5650 PWs) bands (ev): -8.1933 -8.1933 -7.8233 -7.8233 -7.2369 -7.2369 -7.2360 -7.2360 -1.7800 -1.7800 -1.7108 -1.7108 -1.4647 -1.4647 -1.4054 -1.4054 -1.3630 -1.3630 -0.7097 -0.7097 -0.0793 -0.0793 1.1611 1.1611 1.9116 1.9116 1.9652 1.9652 2.0780 2.0780 2.8921 2.8921 3.0046 3.0046 3.1484 3.1484 3.2517 3.2517 3.9469 3.9469 4.0700 4.0700 7.4857 7.4857 7.5017 7.5017 7.8060 7.8060 8.1282 8.1282 k = 0.4310 0.3078-0.0000 ( 5658 PWs) bands (ev): -8.1595 -8.1595 -7.8614 -7.8614 -7.2373 -7.2373 -7.2364 -7.2364 -1.7799 -1.7799 -1.7120 -1.7120 -1.4640 -1.4640 -1.4080 -1.4080 -1.3639 -1.3639 -0.7157 -0.7157 -0.0580 -0.0580 1.1598 1.1598 1.9254 1.9254 1.9810 1.9810 2.0946 2.0946 2.8746 2.8746 3.0137 3.0137 3.1528 3.1528 3.2520 3.2520 3.9394 3.9394 4.0548 4.0548 7.4422 7.4422 7.4586 7.4586 7.7637 7.7637 8.1280 8.1280 k = 0.4483 0.3201-0.0000 ( 5658 PWs) bands (ev): -8.1250 -8.1250 -7.8993 -7.8993 -7.2375 -7.2375 -7.2367 -7.2367 -1.7798 -1.7798 -1.7131 -1.7131 -1.4633 -1.4633 -1.4102 -1.4102 -1.3645 -1.3645 -0.7204 -0.7204 -0.0409 -0.0409 1.1593 1.1593 1.9361 1.9361 1.9937 1.9937 2.1072 2.1072 2.8574 2.8574 3.0248 3.0248 3.1560 3.1560 3.2519 3.2519 3.9343 3.9343 4.0428 4.0428 7.4080 7.4080 7.4247 7.4247 7.7296 7.7296 8.1237 8.1237 k = 0.4655 0.3324-0.0000 ( 5658 PWs) bands (ev): -8.0902 -8.0902 -7.9365 -7.9365 -7.2377 -7.2377 -7.2369 -7.2369 -1.7797 -1.7797 -1.7138 -1.7138 -1.4627 -1.4627 -1.4118 -1.4118 -1.3650 -1.3650 -0.7238 -0.7238 -0.0285 -0.0285 1.1593 1.1593 1.9435 1.9435 2.0029 2.0029 2.1159 2.1159 2.8442 2.8442 3.0341 3.0341 3.1581 3.1581 3.2515 3.2515 3.9310 3.9310 4.0342 4.0342 7.3834 7.3834 7.4003 7.4003 7.7047 7.7047 8.1184 8.1184 k = 0.4828 0.3447-0.0000 ( 5654 PWs) bands (ev): -8.0562 -8.0562 -7.9720 -7.9720 -7.2379 -7.2379 -7.2371 -7.2371 -1.7796 -1.7796 -1.7143 -1.7143 -1.4623 -1.4623 -1.4128 -1.4128 -1.3653 -1.3653 -0.7259 -0.7259 -0.0209 -0.0209 1.1594 1.1594 1.9480 1.9480 2.0086 2.0086 2.1210 2.1210 2.8361 2.8361 3.0401 3.0401 3.1593 3.1593 3.2512 3.2512 3.9291 3.9291 4.0290 4.0290 7.3685 7.3685 7.3856 7.3856 7.6896 7.6896 8.1145 8.1145 k = 0.5000 0.3570-0.0000 ( 5654 PWs) bands (ev): -8.0342 -8.0342 -7.9946 -7.9946 -7.2379 -7.2379 -7.2371 -7.2371 -1.7796 -1.7796 -1.7145 -1.7145 -1.4622 -1.4622 -1.4132 -1.4132 -1.3654 -1.3654 -0.7266 -0.7266 -0.0184 -0.0184 1.1594 1.1594 1.9494 1.9494 2.0105 2.0105 2.1227 2.1227 2.8334 2.8334 3.0421 3.0421 3.1597 3.1597 3.2510 3.2510 3.9285 3.9285 4.0272 4.0272 7.3635 7.3635 7.3806 7.3806 7.6845 7.6845 8.1131 8.1131 k = 0.5000 0.3570-0.0000 ( 5654 PWs) bands (ev): -8.0342 -8.0342 -7.9946 -7.9946 -7.2379 -7.2379 -7.2371 -7.2371 -1.7796 -1.7796 -1.7145 -1.7145 -1.4622 -1.4622 -1.4132 -1.4132 -1.3654 -1.3654 -0.7266 -0.7266 -0.0184 -0.0184 1.1594 1.1594 1.9494 1.9494 2.0105 2.0105 2.1227 2.1227 2.8334 2.8334 3.0421 3.0421 3.1597 3.1597 3.2510 3.2510 3.9285 3.9285 4.0272 4.0272 7.3635 7.3635 7.3806 7.3806 7.6845 7.6845 8.1131 8.1131 k = 0.4915 0.3689 0.0146 ( 5650 PWs) bands (ev): -8.0337 -8.0337 -7.9941 -7.9941 -7.2388 -7.2388 -7.2374 -7.2373 -1.7811 -1.7779 -1.7193 -1.7099 -1.4663 -1.4586 -1.4204 -1.4058 -1.3673 -1.3632 -0.7281 -0.7211 -0.0182 -0.0177 1.1539 1.1592 1.9433 1.9546 2.0080 2.0120 2.1195 2.1254 2.8179 2.8374 3.0377 3.0451 3.1544 3.1695 3.2415 3.2643 3.9250 3.9310 4.0259 4.0275 7.3649 7.3670 7.3827 7.3838 7.6869 7.6903 8.1167 8.1183 k = 0.4831 0.3807 0.0291 ( 5650 PWs) bands (ev): -8.0321 -8.0321 -7.9928 -7.9927 -7.2422 -7.2422 -7.2373 -7.2372 -1.7824 -1.7762 -1.7243 -1.7058 -1.4709 -1.4555 -1.4269 -1.3987 -1.3688 -1.3608 -0.7258 -0.7119 -0.0173 -0.0161 1.1427 1.1533 1.9358 1.9586 2.0057 2.0119 2.1161 2.1277 2.7928 2.8295 3.0320 3.0471 3.1526 3.1807 3.2370 3.2819 3.9200 3.9323 4.0237 4.0270 7.3700 7.3739 7.3915 7.3933 7.6974 7.7041 8.1291 8.1323 k = 0.4746 0.3926 0.0437 ( 5650 PWs) bands (ev): -8.0296 -8.0296 -7.9906 -7.9905 -7.2480 -7.2479 -7.2372 -7.2369 -1.7836 -1.7743 -1.7295 -1.7020 -1.4761 -1.4532 -1.4320 -1.3925 -1.3696 -1.3582 -0.7196 -0.6991 -0.0154 -0.0137 1.1262 1.1417 1.9260 1.9605 2.0036 2.0111 2.1125 2.1299 2.7608 2.8113 3.0251 3.0485 3.1508 3.1862 3.2430 3.3042 3.9133 3.9319 4.0213 4.0263 7.3769 7.3818 7.4096 7.4113 7.7157 7.7254 8.1502 8.1550 k = 0.4661 0.4044 0.0583 ( 5644 PWs) bands (ev): -8.0261 -8.0261 -7.9875 -7.9874 -7.2560 -7.2560 -7.2369 -7.2366 -1.7846 -1.7724 -1.7348 -1.6987 -1.4820 -1.4520 -1.4350 -1.3877 -1.3693 -1.3555 -0.7097 -0.6828 -0.0127 -0.0103 1.1048 1.1249 1.9131 1.9596 1.9993 2.0134 2.1087 2.1324 2.7241 2.7851 3.0175 3.0498 3.1454 3.1821 3.2617 3.3307 3.9040 3.9293 4.0197 4.0265 7.3856 7.3910 7.4367 7.4380 7.7415 7.7537 8.1797 8.1859 k = 0.4577 0.4163 0.0729 ( 5644 PWs) bands (ev): -8.0216 -8.0216 -7.9836 -7.9834 -7.2663 -7.2662 -7.2365 -7.2361 -1.7854 -1.7704 -1.7402 -1.6958 -1.4884 -1.4524 -1.4354 -1.3850 -1.3675 -1.3527 -0.6962 -0.6635 -0.0091 -0.0060 1.0790 1.1032 1.8966 1.9551 1.9924 2.0197 2.1044 2.1357 2.6843 2.7534 3.0096 3.0510 3.1352 3.1724 3.2875 3.3600 3.8918 3.9240 4.0199 4.0287 7.3967 7.4026 7.4718 7.4732 7.7740 7.7884 8.2173 8.2247 k = 0.4492 0.4281 0.0874 ( 5646 PWs) bands (ev): -8.0161 -8.0161 -7.9788 -7.9785 -7.2787 -7.2786 -7.2360 -7.2355 -1.7861 -1.7684 -1.7454 -1.6934 -1.4950 -1.4537 -1.4339 -1.3839 -1.3645 -1.3498 -0.6795 -0.6413 -0.0045 -0.0006 1.0493 1.0772 1.8767 1.9459 1.9847 2.0285 2.0994 2.1403 2.6427 2.7182 3.0014 3.0520 3.1203 3.1596 3.3156 3.3905 3.8765 3.9157 4.0226 4.0336 7.4106 7.4171 7.5144 7.5162 7.8126 7.8286 8.2626 8.2710 k = 0.4407 0.4400 0.1020 ( 5641 PWs) bands (ev): -8.0097 -8.0097 -7.9732 -7.9728 -7.2930 -7.2929 -7.2354 -7.2349 -1.7866 -1.7665 -1.7504 -1.6914 -1.5015 -1.4551 -1.4315 -1.3837 -1.3611 -1.3470 -0.6600 -0.6166 0.0012 0.0059 1.0162 1.0473 1.8539 1.9316 1.9774 2.0388 2.0934 2.1461 2.6000 2.6808 2.9930 3.0526 3.1020 3.1446 3.3434 3.4206 3.8587 3.9052 4.0280 4.0415 7.4278 7.4348 7.5641 7.5666 7.8566 7.8736 8.3152 8.3243 k = 0.4323 0.4519 0.1166 ( 5633 PWs) bands (ev): -8.0025 -8.0024 -7.9667 -7.9663 -7.3093 -7.3092 -7.2348 -7.2342 -1.7870 -1.7650 -1.7549 -1.6898 -1.5078 -1.4562 -1.4287 -1.3839 -1.3578 -1.3443 -0.6380 -0.5899 0.0081 0.0139 0.9802 1.0142 1.8286 1.9126 1.9703 2.0495 2.0865 2.1529 2.5571 2.6425 2.9844 3.0508 3.0833 3.1273 3.3691 3.4489 3.8393 3.8936 4.0363 4.0523 7.4485 7.4561 7.6207 7.6241 7.9051 7.9226 8.3746 8.3842 k = 0.4238 0.4637 0.1311 ( 5633 PWs) bands (ev): -7.9944 -7.9943 -7.9594 -7.9590 -7.3274 -7.3273 -7.2341 -7.2334 -1.7872 -1.7649 -1.7578 -1.6886 -1.5136 -1.4570 -1.4258 -1.3840 -1.3546 -1.3418 -0.6142 -0.5618 0.0163 0.0234 0.9419 0.9783 1.8013 1.8901 1.9629 2.0586 2.0800 2.1600 2.5145 2.6042 2.9755 3.0392 3.0727 3.1083 3.3910 3.4735 3.8199 3.8824 4.0470 4.0657 7.4729 7.4809 7.6838 7.6881 7.9572 7.9747 8.4404 8.4499 k = 0.4153 0.4756 0.1457 ( 5641 PWs) bands (ev): -7.9856 -7.9855 -7.9514 -7.9509 -7.3471 -7.3470 -7.2333 -7.2326 -1.7873 -1.7675 -1.7578 -1.6877 -1.5188 -1.4574 -1.4230 -1.3840 -1.3518 -1.3395 -0.5892 -0.5327 0.0263 0.0347 0.9016 0.9402 1.7725 1.8650 1.9544 2.0589 2.0804 2.1668 2.4729 2.5668 2.9654 3.0170 3.0724 3.0881 3.4076 3.4923 3.8027 3.8730 4.0602 4.0812 7.5010 7.5094 7.7528 7.7581 8.0123 8.0291 8.5120 8.5210 k = 0.4069 0.4874 0.1603 ( 5639 PWs) bands (ev): -7.9761 -7.9760 -7.9425 -7.9420 -7.3683 -7.3681 -7.2325 -7.2317 -1.7873 -1.7711 -1.7564 -1.6871 -1.5232 -1.4575 -1.4202 -1.3838 -1.3493 -1.3375 -0.5637 -0.5033 0.0382 0.0481 0.8598 0.9004 1.7426 1.8380 1.9448 2.0495 2.0882 2.1723 2.4329 2.5312 2.9520 2.9932 3.0664 3.0773 3.4175 3.5027 3.7905 3.8668 4.0753 4.0984 7.5329 7.5416 7.8273 7.8337 8.0695 8.0853 8.5887 8.5967 k = 0.3984 0.4993 0.1749 ( 5647 PWs) bands (ev): -7.9661 -7.9660 -7.9328 -7.9323 -7.3907 -7.3905 -7.2316 -7.2307 -1.7873 -1.7745 -1.7547 -1.6868 -1.5270 -1.4573 -1.4176 -1.3832 -1.3470 -1.3358 -0.5385 -0.4746 0.0525 0.0640 0.8170 0.8593 1.7121 1.8095 1.9339 2.0366 2.0962 2.1755 2.3954 2.4982 2.9317 2.9733 3.0472 3.0831 3.4200 3.5026 3.7856 3.8650 4.0920 4.1171 7.5685 7.5774 7.9065 7.9142 8.1281 8.1426 8.6696 8.6763 k = 0.3899 0.5112 0.1894 ( 5643 PWs) bands (ev): -7.9557 -7.9557 -7.9224 -7.9218 -7.4142 -7.4139 -7.2306 -7.2297 -1.7875 -1.7774 -1.7530 -1.6865 -1.5299 -1.4568 -1.4153 -1.3823 -1.3450 -1.3342 -0.5143 -0.4472 0.0696 0.0829 0.7734 0.8173 1.6812 1.7799 1.9217 2.0217 2.1019 2.1756 2.3613 2.4684 2.9045 2.9576 3.0307 3.0910 3.4149 3.4914 3.7887 3.8677 4.1100 4.1367 7.6077 7.6168 7.9897 7.9988 8.1876 8.2008 8.7533 8.7590 k = 0.3815 0.5230 0.2040 ( 5651 PWs) bands (ev): -7.9453 -7.9452 -7.9110 -7.9105 -7.4384 -7.4381 -7.2297 -7.2287 -1.7882 -1.7794 -1.7514 -1.6862 -1.5321 -1.4560 -1.4131 -1.3811 -1.3433 -1.3330 -0.4920 -0.4222 0.0901 0.1050 0.7295 0.7748 1.6502 1.7496 1.9084 2.0052 2.1042 2.1715 2.3318 2.4423 2.8743 2.9420 3.0193 3.1005 3.4030 3.4707 3.7988 3.8746 4.1289 4.1570 7.6505 7.6596 8.0760 8.0867 8.2474 8.2596 8.8381 8.8439 k = 0.3730 0.5349 0.2186 ( 5655 PWs) bands (ev): -7.9350 -7.9349 -7.8988 -7.8982 -7.4631 -7.4628 -7.2287 -7.2276 -1.7896 -1.7802 -1.7498 -1.6860 -1.5337 -1.4551 -1.4113 -1.3795 -1.3419 -1.3318 -0.4723 -0.4004 0.1145 0.1307 0.6856 0.7321 1.6194 1.7186 1.8943 1.9874 2.1021 2.1628 2.3076 2.4194 2.8438 2.9251 3.0138 3.1114 3.3854 3.4431 3.8134 3.8846 4.1483 4.1774 7.6967 7.7057 8.1642 8.1768 8.3071 8.3191 8.9222 8.9296 k = 0.3645 0.5467 0.2331 ( 5659 PWs) bands (ev): -7.9254 -7.9252 -7.8856 -7.8850 -7.4878 -7.4875 -7.2276 -7.2265 -1.7912 -1.7801 -1.7483 -1.6857 -1.5345 -1.4541 -1.4097 -1.3775 -1.3408 -1.3307 -0.4558 -0.3826 0.1430 0.1603 0.6421 0.6896 1.5889 1.6872 1.8797 1.9685 2.0956 2.1497 2.2887 2.3990 2.8147 2.9077 3.0134 3.1235 3.3639 3.4113 3.8303 3.8966 4.1678 4.1977 7.7461 7.7549 8.2527 8.2675 8.3669 8.3796 9.0037 9.0135 k = 0.3561 0.5586 0.2477 ( 5663 PWs) bands (ev): -7.9167 -7.9165 -7.8714 -7.8709 -7.5122 -7.5118 -7.2266 -7.2255 -1.7929 -1.7795 -1.7468 -1.6854 -1.5346 -1.4529 -1.4083 -1.3753 -1.3401 -1.3297 -0.4431 -0.3693 0.1758 0.1937 0.5992 0.6476 1.5588 1.6553 1.8650 1.9488 2.0854 2.1335 2.2735 2.3795 2.7883 2.8916 3.0169 3.1361 3.3400 3.3781 3.8478 3.9095 4.1871 4.2175 7.7985 7.8071 8.3389 8.3562 8.4280 8.4420 9.0806 9.0926 k = 0.3476 0.5705 0.2623 ( 5657 PWs) bands (ev): -7.9095 -7.9093 -7.8563 -7.8558 -7.5356 -7.5351 -7.2256 -7.2244 -1.7944 -1.7787 -1.7454 -1.6849 -1.5341 -1.4516 -1.4070 -1.3728 -1.3397 -1.3287 -0.4343 -0.3608 0.2124 0.2307 0.5574 0.6065 1.5292 1.6231 1.8506 1.9287 2.0724 2.1158 2.2595 2.3597 2.7656 2.8780 3.0234 3.1477 3.3156 3.3462 3.8648 3.9221 4.2056 4.2364 7.8537 7.8620 8.4192 8.4378 8.4935 8.5085 9.1498 9.1639 k = 0.3391 0.5823 0.2769 ( 5671 PWs) bands (ev): -7.9044 -7.9043 -7.8402 -7.8398 -7.5573 -7.5568 -7.2245 -7.2233 -1.7956 -1.7777 -1.7439 -1.6844 -1.5330 -1.4502 -1.4060 -1.3702 -1.3398 -1.3277 -0.4295 -0.3571 0.2520 0.2707 0.5174 0.5670 1.4999 1.5905 1.8370 1.9088 2.0582 2.0980 2.2444 2.3382 2.7474 2.8677 3.0318 3.1557 3.2924 3.3195 3.8803 3.9337 4.2232 4.2541 7.9115 7.9193 8.4897 8.5071 8.5663 8.5815 9.2086 9.2256 k = 0.3307 0.5942 0.2914 ( 5667 PWs) bands (ev): -7.9022 -7.9020 -7.8233 -7.8229 -7.5765 -7.5759 -7.2235 -7.2222 -1.7963 -1.7765 -1.7422 -1.6838 -1.5314 -1.4489 -1.4050 -1.3675 -1.3401 -1.3267 -0.4287 -0.3580 0.2927 0.3126 0.4806 0.5301 1.4711 1.5579 1.8244 1.8896 2.0440 2.0813 2.2262 2.3144 2.7340 2.8610 3.0413 3.1552 3.2723 3.3037 3.8937 3.9435 4.2394 4.2702 7.9717 7.9789 8.5499 8.5661 8.6423 8.6591 9.2554 9.2768 k = 0.3222 0.6060 0.3060 ( 5661 PWs) bands (ev): -7.9036 -7.9034 -7.8057 -7.8052 -7.5923 -7.5916 -7.2225 -7.2212 -1.7967 -1.7753 -1.7404 -1.6831 -1.5292 -1.4475 -1.4040 -1.3647 -1.3408 -1.3257 -0.4316 -0.3632 0.3288 0.3524 0.4523 0.4993 1.4427 1.5253 1.8132 1.8717 2.0306 2.0659 2.2043 2.2881 2.7253 2.8576 3.0507 3.1429 3.2572 3.3030 3.9045 3.9510 4.2540 4.2847 8.0339 8.0405 8.6025 8.6186 8.7153 8.7358 9.2910 9.3177 k = 0.3137 0.6179 0.3206 ( 5661 PWs) bands (ev): -7.9093 -7.9091 -7.7873 -7.7869 -7.6040 -7.6032 -7.2216 -7.2202 -1.7967 -1.7741 -1.7385 -1.6825 -1.5265 -1.4462 -1.4031 -1.3618 -1.3417 -1.3248 -0.4380 -0.3723 0.3442 0.3764 0.4509 0.4851 1.4147 1.4930 1.8031 1.8555 2.0189 2.0524 2.1785 2.2593 2.7206 2.8569 3.0586 3.1218 3.2492 3.3157 3.9124 3.9558 4.2667 4.2971 8.0978 8.1037 8.6496 8.6661 8.7819 8.8069 9.3176 9.3500 k = 0.3137 0.6179 0.3206 ( 5661 PWs) bands (ev): -7.9093 -7.9091 -7.7873 -7.7869 -7.6040 -7.6032 -7.2216 -7.2202 -1.7967 -1.7741 -1.7385 -1.6825 -1.5265 -1.4462 -1.4031 -1.3618 -1.3417 -1.3248 -0.4380 -0.3723 0.3442 0.3764 0.4509 0.4851 1.4147 1.4930 1.8031 1.8555 2.0189 2.0524 2.1785 2.2593 2.7206 2.8569 3.0586 3.1218 3.2492 3.3157 3.9124 3.9558 4.2667 4.2971 8.0978 8.1037 8.6496 8.6661 8.7819 8.8069 9.3176 9.3500 k = 0.2953 0.6126 0.3270 ( 5661 PWs) bands (ev): -7.9157 -7.9155 -7.7776 -7.7772 -7.6062 -7.6054 -7.2214 -7.2200 -1.7965 -1.7735 -1.7375 -1.6822 -1.5250 -1.4456 -1.4027 -1.3605 -1.3422 -1.3244 -0.4429 -0.3789 0.3379 0.3754 0.4654 0.4932 1.3996 1.4758 1.7966 1.8468 2.0154 2.0493 2.1696 2.2491 2.7188 2.8563 3.0604 3.1130 3.2497 3.3240 3.9108 3.9535 4.2741 4.3037 8.1297 8.1350 8.6667 8.6842 8.8104 8.8375 9.3258 9.3591 k = 0.2768 0.6074 0.3335 ( 5663 PWs) bands (ev): -7.9258 -7.9255 -7.7675 -7.7672 -7.6042 -7.6033 -7.2217 -7.2204 -1.7960 -1.7730 -1.7361 -1.6819 -1.5233 -1.4451 -1.4023 -1.3592 -1.3427 -1.3240 -0.4505 -0.3889 0.3281 0.3685 0.4868 0.5114 1.3794 1.4532 1.7853 1.8335 2.0143 2.0515 2.1672 2.2458 2.7168 2.8546 3.0598 3.1081 3.2542 3.3329 3.9014 3.9444 4.2848 4.3124 8.1679 8.1724 8.6809 8.6995 8.8396 8.8683 9.3319 9.3635 k = 0.2584 0.6021 0.3399 ( 5669 PWs) bands (ev): -7.9375 -7.9373 -7.7599 -7.7596 -7.5971 -7.5962 -7.2226 -7.2213 -1.7955 -1.7725 -1.7345 -1.6817 -1.5213 -1.4447 -1.4018 -1.3578 -1.3431 -1.3236 -0.4608 -0.4022 0.3204 0.3609 0.5107 0.5331 1.3551 1.4263 1.7685 1.8148 2.0156 2.0586 2.1700 2.2499 2.7150 2.8521 3.0572 3.1069 3.2622 3.3423 3.8857 3.9300 4.2964 4.3214 8.2121 8.2155 8.6943 8.7132 8.8681 8.8973 9.3393 9.3676 k = 0.2399 0.5969 0.3464 ( 5662 PWs) bands (ev): -7.9497 -7.9495 -7.7558 -7.7555 -7.5850 -7.5841 -7.2242 -7.2228 -1.7947 -1.7720 -1.7326 -1.6814 -1.5190 -1.4443 -1.4010 -1.3564 -1.3435 -1.3233 -0.4735 -0.4186 0.3165 0.3554 0.5349 0.5551 1.3278 1.3967 1.7462 1.7911 2.0201 2.0697 2.1769 2.2607 2.7141 2.8492 3.0535 3.1080 3.2734 3.3525 3.8654 3.9118 4.3069 4.3289 8.2619 8.2641 8.7084 8.7266 8.8943 8.9232 9.3510 9.3754 k = 0.2215 0.5916 0.3528 ( 5662 PWs) bands (ev): -7.9618 -7.9616 -7.7549 -7.7546 -7.5689 -7.5679 -7.2265 -7.2251 -1.7937 -1.7716 -1.7303 -1.6812 -1.5164 -1.4442 -1.4002 -1.3553 -1.3437 -1.3230 -0.4881 -0.4373 0.3169 0.3529 0.5583 0.5764 1.2990 1.3658 1.7189 1.7631 2.0276 2.0832 2.1874 2.2771 2.7143 2.8458 3.0497 3.1102 3.2876 3.3639 3.8416 3.8908 4.3146 4.3339 8.3163 8.3183 8.7240 8.7405 8.9172 8.9450 9.3694 9.3896 k = 0.2030 0.5864 0.3593 ( 5672 PWs) bands (ev): -7.9734 -7.9733 -7.7564 -7.7561 -7.5500 -7.5490 -7.2295 -7.2281 -1.7927 -1.7714 -1.7278 -1.6812 -1.5136 -1.4444 -1.3990 -1.3545 -1.3436 -1.3228 -0.5042 -0.4578 0.3212 0.3537 0.5802 0.5962 1.2697 1.3346 1.6878 1.7320 2.0376 2.0978 2.2013 2.2972 2.7157 2.8420 3.0464 3.1125 3.3044 3.3773 3.8155 3.8680 4.3185 4.3355 8.3742 8.3779 8.7414 8.7556 8.9363 8.9623 9.3954 9.4117 k = 0.1845 0.5811 0.3657 ( 5674 PWs) bands (ev): -7.9844 -7.9842 -7.7594 -7.7592 -7.5294 -7.5283 -7.2333 -7.2319 -1.7914 -1.7714 -1.7250 -1.6812 -1.5104 -1.4449 -1.3976 -1.3542 -1.3431 -1.3227 -0.5212 -0.4794 0.3289 0.3575 0.6004 0.6142 1.2410 1.3042 1.6543 1.6988 2.0492 2.1118 2.2185 2.3197 2.7182 2.8375 3.0443 3.1143 3.3237 3.3931 3.7878 3.8442 4.3179 4.3335 8.4354 8.4418 8.7609 8.7723 8.9518 8.9757 9.4282 9.4412 k = 0.1661 0.5759 0.3722 ( 5674 PWs) bands (ev): -7.9946 -7.9944 -7.7632 -7.7630 -7.5078 -7.5068 -7.2379 -7.2365 -1.7901 -1.7714 -1.7219 -1.6814 -1.5070 -1.4457 -1.3959 -1.3544 -1.3421 -1.3226 -0.5385 -0.5012 0.3392 0.3637 0.6186 0.6304 1.2138 1.2752 1.6198 1.6645 2.0617 2.1242 2.2389 2.3435 2.7212 2.8316 3.0439 3.1156 3.3448 3.4116 3.7591 3.8199 4.3127 4.3276 8.4988 8.5087 8.7819 8.7908 8.9650 8.9864 9.4657 9.4764 k = 0.1476 0.5706 0.3786 ( 5673 PWs) bands (ev): -8.0038 -8.0037 -7.7674 -7.7672 -7.4861 -7.4850 -7.2435 -7.2421 -1.7888 -1.7716 -1.7187 -1.6817 -1.5034 -1.4469 -1.3940 -1.3552 -1.3408 -1.3227 -0.5556 -0.5228 0.3515 0.3719 0.6347 0.6447 1.1890 1.2481 1.5857 1.6302 2.0743 2.1342 2.2624 2.3676 2.7242 2.8241 3.0459 3.1164 3.3672 3.4329 3.7301 3.7959 4.3032 4.3182 8.5631 8.5771 8.8038 8.8115 8.9773 8.9963 9.5046 9.5146 k = 0.1292 0.5654 0.3851 ( 5669 PWs) bands (ev): -8.0121 -8.0120 -7.7715 -7.7713 -7.4645 -7.4634 -7.2499 -7.2485 -1.7873 -1.7720 -1.7154 -1.6823 -1.4995 -1.4485 -1.3917 -1.3564 -1.3393 -1.3229 -0.5718 -0.5434 0.3649 0.3814 0.6486 0.6570 1.1670 1.2231 1.5532 1.5966 2.0864 2.1417 2.2882 2.3912 2.7262 2.8146 3.0507 3.1172 3.3903 3.4566 3.7012 3.7726 4.2901 4.3055 8.6258 8.6444 8.8263 8.8353 8.9902 9.0067 9.5417 9.5520 k = 0.1107 0.5601 0.3915 ( 5666 PWs) bands (ev): -8.0193 -8.0192 -7.7754 -7.7753 -7.4435 -7.4424 -7.2573 -7.2560 -1.7859 -1.7724 -1.7120 -1.6830 -1.4954 -1.4505 -1.3892 -1.3579 -1.3376 -1.3232 -0.5866 -0.5625 0.3786 0.3915 0.6602 0.6673 1.1483 1.2005 1.5235 1.5647 2.0978 2.1467 2.3156 2.4138 2.7265 2.8031 3.0584 3.1184 3.4133 3.4819 3.6732 3.7506 4.2745 4.2902 8.6832 8.7060 8.8517 8.8632 9.0044 9.0190 9.5741 9.5849 k = 0.0923 0.5549 0.3980 ( 5660 PWs) bands (ev): -8.0255 -8.0254 -7.7789 -7.7788 -7.4233 -7.4222 -7.2657 -7.2643 -1.7844 -1.7730 -1.7086 -1.6841 -1.4912 -1.4529 -1.3865 -1.3596 -1.3359 -1.3236 -0.5997 -0.5798 0.3918 0.4015 0.6698 0.6758 1.1333 1.1802 1.4974 1.5351 2.1080 2.1495 2.3438 2.4343 2.7249 2.7900 3.0684 3.1202 3.4352 3.5078 3.6468 3.7303 4.2577 4.2732 8.7306 8.7547 8.8845 8.8972 9.0195 9.0342 9.5997 9.6109 k = 0.0738 0.5496 0.4044 ( 5661 PWs) bands (ev): -8.0306 -8.0305 -7.7818 -7.7818 -7.4042 -7.4031 -7.2748 -7.2735 -1.7829 -1.7737 -1.7053 -1.6854 -1.4869 -1.4556 -1.3837 -1.3617 -1.3342 -1.3242 -0.6106 -0.5948 0.4039 0.4108 0.6774 0.6825 1.1222 1.1623 1.4760 1.5086 2.1171 2.1506 2.3719 2.4516 2.7218 2.7759 3.0799 3.1222 3.4555 3.5320 3.6240 3.7119 4.2411 4.2557 8.7649 8.7855 8.9252 8.9392 9.0343 9.0525 9.6183 9.6289 k = 0.0554 0.5444 0.4109 ( 5669 PWs) bands (ev): -8.0346 -8.0345 -7.7842 -7.7842 -7.3864 -7.3853 -7.2847 -7.2834 -1.7815 -1.7746 -1.7021 -1.6870 -1.4826 -1.4588 -1.3807 -1.3639 -1.3325 -1.3250 -0.6190 -0.6072 0.4141 0.4188 0.6832 0.6873 1.1150 1.1468 1.4598 1.4860 2.1249 2.1501 2.3989 2.4643 2.7185 2.7615 3.0919 3.1241 3.4738 3.5488 3.6098 3.6952 4.2265 4.2390 8.7871 8.8021 8.9657 8.9851 9.0484 9.0723 9.6308 9.6398 k = 0.0369 0.5391 0.4173 ( 5670 PWs) bands (ev): -8.0374 -8.0374 -7.7860 -7.7859 -7.3706 -7.3696 -7.2947 -7.2936 -1.7802 -1.7755 -1.6990 -1.6888 -1.4782 -1.4622 -1.3778 -1.3664 -1.3310 -1.3259 -0.6246 -0.6167 0.4220 0.4249 0.6875 0.6905 1.1117 1.1338 1.4495 1.4678 2.1317 2.1485 2.4237 2.4707 2.7169 2.7475 3.1031 3.1249 3.4902 3.5484 3.6134 3.6796 4.2154 4.2246 8.8007 8.8101 8.9996 9.0220 9.0646 9.0904 9.6387 9.6452 k = 0.0185 0.5339 0.4238 ( 5676 PWs) bands (ev): -8.0391 -8.0391 -7.7870 -7.7870 -7.3582 -7.3575 -7.3033 -7.3026 -1.7789 -1.7765 -1.6961 -1.6910 -1.4740 -1.4659 -1.3748 -1.3691 -1.3295 -1.3270 -0.6272 -0.6233 0.4271 0.4285 0.6904 0.6920 1.1122 1.1235 1.4452 1.4547 2.1373 2.1457 2.4448 2.4696 2.7188 2.7349 3.1126 3.1236 3.5056 3.5358 3.6293 3.6639 4.2092 4.2142 8.8086 8.8132 9.0234 9.0375 9.0857 9.1016 9.6436 9.6470 k = 0.0000 0.5286 0.4302 ( 5666 PWs) bands (ev): -8.0397 -8.0397 -7.7873 -7.7873 -7.3527 -7.3527 -7.3070 -7.3070 -1.7777 -1.7777 -1.6934 -1.6934 -1.4699 -1.4699 -1.3718 -1.3718 -1.3282 -1.3282 -0.6268 -0.6268 0.4293 0.4293 0.6919 0.6919 1.1162 1.1162 1.4470 1.4470 2.1420 2.1420 2.4606 2.4606 2.7250 2.7250 3.1195 3.1195 3.5207 3.5207 3.6471 3.6471 4.2088 4.2088 8.8125 8.8125 9.0362 9.0362 9.1006 9.1006 9.6462 9.6462 k = 0.0000 0.5286 0.4302 ( 5666 PWs) bands (ev): -8.0397 -8.0397 -7.7873 -7.7873 -7.3527 -7.3527 -7.3070 -7.3070 -1.7777 -1.7777 -1.6934 -1.6934 -1.4699 -1.4699 -1.3718 -1.3718 -1.3282 -1.3282 -0.6268 -0.6268 0.4293 0.4293 0.6919 0.6919 1.1162 1.1162 1.4470 1.4470 2.1420 2.1420 2.4606 2.4606 2.7250 2.7250 3.1195 3.1195 3.5207 3.5207 3.6471 3.6471 4.2088 4.2088 8.8125 8.8125 9.0362 9.0362 9.1006 9.1006 9.6462 9.6462 k = 0.0086 0.5166 0.4451 ( 5672 PWs) bands (ev): -8.0392 -8.0392 -7.7870 -7.7870 -7.3532 -7.3531 -7.3072 -7.3072 -1.7783 -1.7768 -1.6949 -1.6918 -1.4715 -1.4680 -1.3732 -1.3705 -1.3290 -1.3272 -0.6297 -0.6267 0.4208 0.4249 0.6864 0.6901 1.1165 1.1246 1.4461 1.4545 2.1384 2.1450 2.4589 2.4664 2.7183 2.7315 3.1154 3.1325 3.5177 3.5263 3.6436 3.6527 4.2072 4.2098 8.8106 8.8128 9.0279 9.0349 9.0919 9.1006 9.6446 9.6537 k = 0.0172 0.5045 0.4599 ( 5676 PWs) bands (ev): -8.0378 -8.0377 -7.7861 -7.7860 -7.3545 -7.3545 -7.3080 -7.3079 -1.7787 -1.7757 -1.6963 -1.6902 -1.4729 -1.4660 -1.3743 -1.3690 -1.3297 -1.3262 -0.6352 -0.6293 0.4003 0.4080 0.6738 0.6807 1.1250 1.1407 1.4517 1.4682 2.1340 2.1476 2.4615 2.4760 2.7127 2.7377 3.1200 3.1531 3.5172 3.5346 3.6423 3.6606 4.2051 4.2102 8.8067 8.8111 9.0112 9.0239 9.0757 9.0919 9.6488 9.6663 k = 0.0259 0.4924 0.4747 ( 5680 PWs) bands (ev): -8.0354 -8.0353 -7.7845 -7.7844 -7.3567 -7.3566 -7.3092 -7.3091 -1.7789 -1.7744 -1.6975 -1.6885 -1.4741 -1.4638 -1.3753 -1.3675 -1.3303 -1.3252 -0.6432 -0.6345 0.3699 0.3803 0.6544 0.6637 1.1401 1.1623 1.4636 1.4881 2.1289 2.1499 2.4686 2.4893 2.7096 2.7444 3.1322 3.1794 3.5189 3.5454 3.6434 3.6712 4.2023 4.2100 8.7997 8.8066 8.9885 9.0049 9.0541 9.0756 9.6582 9.6829 k = 0.0345 0.4803 0.4896 ( 5674 PWs) bands (ev): -8.0321 -8.0320 -7.7823 -7.7822 -7.3598 -7.3597 -7.3110 -7.3108 -1.7788 -1.7728 -1.6986 -1.6867 -1.4750 -1.4613 -1.3761 -1.3659 -1.3308 -1.3241 -0.6535 -0.6420 0.3318 0.3442 0.6286 0.6397 1.1591 1.1868 1.4818 1.5135 2.1232 2.1522 2.4803 2.5059 2.7107 2.7529 3.1498 3.2093 3.5225 3.5583 3.6476 3.6849 4.1991 4.2094 8.7879 8.7975 8.9630 8.9812 9.0290 9.0537 9.6713 9.7022 k = 0.0431 0.4683 0.5044 ( 5676 PWs) bands (ev): -8.0278 -8.0277 -7.7795 -7.7794 -7.3637 -7.3636 -7.3132 -7.3130 -1.7785 -1.7711 -1.6996 -1.6850 -1.4757 -1.4587 -1.3767 -1.3645 -1.3310 -1.3230 -0.6656 -0.6517 0.2883 0.3020 0.5969 0.6092 1.1794 1.2116 1.5056 1.5440 2.1176 2.1549 2.4966 2.5257 2.7168 2.7645 3.1705 3.2405 3.5277 3.5726 3.6560 3.7024 4.1954 4.2085 8.7690 8.7815 8.9378 8.9560 9.0031 9.0289 9.6863 9.7225 k = 0.0517 0.4562 0.5193 ( 5680 PWs) bands (ev): -8.0226 -8.0224 -7.7762 -7.7760 -7.3685 -7.3684 -7.3159 -7.3156 -1.7779 -1.7693 -1.7005 -1.6832 -1.4762 -1.4560 -1.3771 -1.3632 -1.3310 -1.3219 -0.6793 -0.6631 0.2411 0.2555 0.5599 0.5732 1.1986 1.2344 1.5346 1.5790 2.1131 2.1587 2.5176 2.5486 2.7283 2.7800 3.1922 3.2711 3.5341 3.5867 3.6703 3.7241 4.1915 4.2073 8.7414 8.7570 8.9144 8.9311 8.9795 9.0043 9.7008 9.7418 k = 0.0603 0.4441 0.5341 ( 5678 PWs) bands (ev): -8.0164 -8.0163 -7.7722 -7.7720 -7.3742 -7.3741 -7.3190 -7.3187 -1.7770 -1.7673 -1.7012 -1.6815 -1.4764 -1.4531 -1.3773 -1.3621 -1.3308 -1.3208 -0.6942 -0.6760 0.1916 0.2064 0.5184 0.5324 1.2147 1.2530 1.5682 1.6179 2.1109 2.1643 2.5432 2.5750 2.7448 2.7995 3.2134 3.2998 3.5412 3.5995 3.6918 3.7503 4.1875 4.2062 8.7058 8.7243 8.8905 8.9056 8.9613 8.9839 9.7127 9.7577 k = 0.0690 0.4321 0.5489 ( 5678 PWs) bands (ev): -8.0094 -8.0092 -7.7677 -7.7674 -7.3807 -7.3805 -7.3226 -7.3222 -1.7759 -1.7651 -1.7018 -1.6799 -1.4763 -1.4502 -1.3772 -1.3613 -1.3302 -1.3197 -0.7097 -0.6898 0.1409 0.1558 0.4730 0.4877 1.2262 1.2661 1.6058 1.6600 2.1119 2.1725 2.5731 2.6050 2.7654 2.8228 3.2332 3.3254 3.5487 3.6104 3.7203 3.7809 4.1837 4.2052 8.6644 8.6858 8.8629 8.8782 8.9495 8.9705 9.7195 9.7676 k = 0.0776 0.4200 0.5638 ( 5676 PWs) bands (ev): -8.0015 -8.0013 -7.7627 -7.7624 -7.3880 -7.3878 -7.3266 -7.3262 -1.7746 -1.7629 -1.7021 -1.6784 -1.4760 -1.4471 -1.3768 -1.3608 -1.3293 -1.3186 -0.7256 -0.7041 0.0898 0.1046 0.4247 0.4398 1.2321 1.2726 1.6470 1.7048 2.1172 2.1837 2.6073 2.6389 2.7889 2.8492 3.2510 3.3477 3.5563 3.6200 3.7548 3.8153 4.1803 4.2047 8.6196 8.6440 8.8319 8.8478 8.9425 8.9634 9.7198 9.7688 k = 0.0862 0.4079 0.5786 ( 5670 PWs) bands (ev): -7.9928 -7.9926 -7.7572 -7.7569 -7.3961 -7.3959 -7.3310 -7.3306 -1.7731 -1.7606 -1.7024 -1.6770 -1.4755 -1.4439 -1.3762 -1.3606 -1.3282 -1.3176 -0.7413 -0.7186 0.0390 0.0535 0.3739 0.3895 1.2322 1.2723 1.6912 1.7519 2.1270 2.1981 2.6454 2.6767 2.8140 2.8777 3.2669 3.3669 3.5638 3.6285 3.7934 3.8529 4.1778 4.2050 8.5736 8.6007 8.7994 8.8148 8.9385 8.9598 9.7134 9.7602 k = 0.0948 0.3958 0.5934 ( 5676 PWs) bands (ev): -7.9832 -7.9830 -7.7513 -7.7509 -7.4049 -7.4048 -7.3358 -7.3354 -1.7713 -1.7582 -1.7025 -1.6758 -1.4748 -1.4408 -1.3753 -1.3608 -1.3268 -1.3167 -0.7564 -0.7328 -0.0110 0.0031 0.3214 0.3374 1.2265 1.2654 1.7378 1.8009 2.1413 2.2156 2.6869 2.7184 2.8398 2.9072 3.2811 3.3837 3.5708 3.6362 3.8348 3.8925 4.1766 4.2064 8.5276 8.5573 8.7661 8.7803 8.9353 8.9572 9.7020 9.7438 k = 0.1034 0.3838 0.6083 ( 5678 PWs) bands (ev): -7.9729 -7.9726 -7.7450 -7.7446 -7.4145 -7.4143 -7.3410 -7.3405 -1.7694 -1.7557 -1.7025 -1.6747 -1.4738 -1.4376 -1.3742 -1.3613 -1.3253 -1.3159 -0.7705 -0.7463 -0.0598 -0.0462 0.2678 0.2840 1.2155 1.2526 1.7865 1.8514 2.1595 2.2359 2.7312 2.7632 2.8656 2.9368 3.2942 3.3990 3.5771 3.6428 3.8772 3.9330 4.1773 4.2092 8.4826 8.5147 8.7327 8.7454 8.9315 8.9536 9.6886 9.7239 k = 0.1121 0.3717 0.6231 ( 5682 PWs) bands (ev): -7.9618 -7.9615 -7.7383 -7.7379 -7.4247 -7.4246 -7.3465 -7.3460 -1.7674 -1.7531 -1.7023 -1.6739 -1.4726 -1.4345 -1.3728 -1.3622 -1.3237 -1.3151 -0.7834 -0.7587 -0.1071 -0.0942 0.2134 0.2298 1.2002 1.2350 1.8367 1.9030 2.1810 2.2584 2.7771 2.8098 2.8912 2.9652 3.3070 3.4136 3.5825 3.6482 3.9195 3.9732 4.1804 4.2138 8.4392 8.4734 8.6991 8.7107 8.9258 8.9477 9.6761 9.7046 k = 0.1207 0.3596 0.6379 ( 5682 PWs) bands (ev): -7.9499 -7.9496 -7.7314 -7.7310 -7.4356 -7.4354 -7.3524 -7.3519 -1.7652 -1.7505 -1.7021 -1.6733 -1.4713 -1.4314 -1.3711 -1.3632 -1.3221 -1.3145 -0.7945 -0.7697 -0.1527 -0.1404 0.1589 0.1754 1.1815 1.2138 1.8879 1.9551 2.2053 2.2829 2.8223 2.8561 2.9187 2.9919 3.3202 3.4285 3.5868 3.6520 3.9602 4.0118 4.1866 4.2206 8.3977 8.4336 8.6654 8.6769 8.9173 8.9384 9.6667 9.6890 k = 0.1293 0.3475 0.6528 ( 5686 PWs) bands (ev): -7.9374 -7.9371 -7.7244 -7.7239 -7.4470 -7.4468 -7.3585 -7.3580 -1.7630 -1.7478 -1.7017 -1.6729 -1.4698 -1.4284 -1.3693 -1.3646 -1.3207 -1.3140 -0.8037 -0.7789 -0.1963 -0.1848 0.1045 0.1211 1.1603 1.1899 1.9395 2.0071 2.2318 2.3090 2.8621 2.8985 2.9523 3.0167 3.3344 3.4441 3.5900 3.6541 3.9985 4.0479 4.1962 4.2300 8.3583 8.3955 8.6317 8.6443 8.9054 8.9250 9.6624 9.6792 k = 0.1379 0.3355 0.6676 ( 5694 PWs) bands (ev): -7.9243 -7.9240 -7.7172 -7.7168 -7.4589 -7.4587 -7.3650 -7.3644 -1.7608 -1.7450 -1.7014 -1.6728 -1.4684 -1.4255 -1.3675 -1.3659 -1.3195 -1.3136 -0.8107 -0.7861 -0.2377 -0.2271 0.0507 0.0674 1.1375 1.1645 1.9910 2.0584 2.2604 2.3366 2.8899 2.9366 2.9943 3.0409 3.3505 3.4609 3.5925 3.6548 4.0332 4.0804 4.2097 4.2420 8.3211 8.3591 8.5986 8.6131 8.8900 8.9072 9.6638 9.6764 k = 0.1466 0.3234 0.6824 ( 5692 PWs) bands (ev): -7.9106 -7.9102 -7.7101 -7.7096 -7.4711 -7.4709 -7.3716 -7.3710 -1.7585 -1.7421 -1.7010 -1.6730 -1.4669 -1.4226 -1.3680 -1.3649 -1.3188 -1.3133 -0.8153 -0.7911 -0.2769 -0.2672 -0.0021 0.0145 1.1140 1.1383 2.0418 2.1080 2.2909 2.3655 2.9053 2.9692 3.0392 3.0684 3.3687 3.4787 3.5947 3.6545 4.0639 4.1089 4.2265 4.2568 8.2861 8.3243 8.5665 8.5835 8.8709 8.8852 9.6717 9.6810 k = 0.1552 0.3113 0.6973 ( 5696 PWs) bands (ev): -7.8964 -7.8960 -7.7032 -7.7027 -7.4836 -7.4834 -7.3784 -7.3778 -1.7564 -1.7390 -1.7006 -1.6734 -1.4655 -1.4198 -1.3696 -1.3627 -1.3185 -1.3129 -0.8173 -0.7935 -0.3137 -0.3051 -0.0536 -0.0372 1.0903 1.1121 2.0911 2.1552 2.3236 2.3960 2.9124 2.9912 3.0796 3.1040 3.3891 3.4973 3.5973 3.6542 4.0902 4.1333 4.2460 4.2740 8.2533 8.2911 8.5363 8.5557 8.8485 8.8594 9.6858 9.6927 k = 0.1638 0.2992 0.7121 ( 5690 PWs) bands (ev): -7.8816 -7.8812 -7.6967 -7.6962 -7.4961 -7.4959 -7.3853 -7.3847 -1.7544 -1.7357 -1.7002 -1.6740 -1.4642 -1.4170 -1.3713 -1.3605 -1.3189 -1.3125 -0.8166 -0.7934 -0.3482 -0.3405 -0.1035 -0.0873 1.0671 1.0866 2.1382 2.1989 2.3586 2.4281 2.9138 3.0017 3.1139 3.1446 3.4118 3.5164 3.6013 3.6551 4.1126 4.1539 4.2667 4.2926 8.2225 8.2593 8.5085 8.5302 8.8234 8.8306 9.7060 9.7112 k = 0.1724 0.2872 0.7270 ( 5688 PWs) bands (ev): -7.8665 -7.8661 -7.6908 -7.6903 -7.5085 -7.5083 -7.3922 -7.3916 -1.7525 -1.7323 -1.7000 -1.6749 -1.4631 -1.4142 -1.3730 -1.3582 -1.3197 -1.3122 -0.8132 -0.7906 -0.3804 -0.3736 -0.1512 -0.1354 1.0450 1.0622 2.1823 2.2386 2.3959 2.4620 2.9108 3.0036 3.1425 3.1824 3.4364 3.5355 3.6073 3.6587 4.1317 4.1713 4.2875 4.3116 8.1939 8.2289 8.4837 8.5074 8.7963 8.7998 9.7316 9.7360 k = 0.1810 0.2751 0.7418 ( 5692 PWs) bands (ev): -7.8511 -7.8506 -7.6859 -7.6853 -7.5205 -7.5203 -7.3990 -7.3984 -1.7508 -1.7288 -1.6997 -1.6760 -1.4623 -1.4115 -1.3744 -1.3559 -1.3210 -1.3120 -0.8071 -0.7852 -0.4105 -0.4040 -0.1965 -0.1811 1.0243 1.0394 2.2227 2.2740 2.4353 2.4977 2.9044 2.9997 3.1636 3.2135 3.4625 3.5548 3.6159 3.6663 4.1480 4.1858 4.3074 4.3297 8.1674 8.2002 8.4624 8.4875 8.7676 8.7684 9.7620 9.7662 k = 0.1897 0.2630 0.7566 ( 5698 PWs) bands (ev): -7.8354 -7.8349 -7.6823 -7.6817 -7.5317 -7.5315 -7.4057 -7.4051 -1.7493 -1.7253 -1.6996 -1.6774 -1.4618 -1.4089 -1.3757 -1.3538 -1.3227 -1.3119 -0.7984 -0.7774 -0.4388 -0.4318 -0.2386 -0.2240 1.0054 1.0184 2.2588 2.3051 2.4760 2.5350 2.8951 2.9917 3.1765 3.2358 3.4887 3.5750 3.6270 3.6781 4.1621 4.1977 4.3256 4.3461 8.1433 8.1732 8.4448 8.4708 8.7361 8.7395 9.7962 9.8007 k = 0.1983 0.2509 0.7715 ( 5698 PWs) bands (ev): -7.8195 -7.8191 -7.6805 -7.6799 -7.5417 -7.5415 -7.4120 -7.4114 -1.7479 -1.7217 -1.6994 -1.6790 -1.4615 -1.4063 -1.3766 -1.3518 -1.3246 -1.3120 -0.7873 -0.7672 -0.4654 -0.4571 -0.2772 -0.2634 0.9886 0.9997 2.2901 2.3321 2.5172 2.5734 2.8834 2.9805 3.1819 3.2489 3.5134 3.5966 3.6397 3.6936 4.1741 4.2072 4.3418 4.3602 8.1218 8.1483 8.4312 8.4573 8.7054 8.7114 9.8331 9.8380 k = 0.2069 0.2389 0.7863 ( 5694 PWs) bands (ev): -7.8037 -7.8032 -7.6810 -7.6804 -7.5501 -7.5499 -7.4178 -7.4173 -1.7467 -1.7182 -1.6992 -1.6808 -1.4615 -1.4040 -1.3772 -1.3501 -1.3267 -1.3121 -0.7742 -0.7553 -0.4906 -0.4799 -0.3114 -0.2986 0.9741 0.9833 2.3166 2.3551 2.5582 2.6118 2.8696 2.9671 3.1814 3.2536 3.5353 3.6190 3.6532 3.7114 4.1844 4.2143 4.3556 4.3716 8.1031 8.1259 8.4215 8.4467 8.6770 8.6849 9.8706 9.8757 k = 0.2155 0.2268 0.8011 ( 5692 PWs) bands (ev): -7.7880 -7.7875 -7.6841 -7.6835 -7.5566 -7.5564 -7.4230 -7.4225 -1.7457 -1.7150 -1.6988 -1.6829 -1.4616 -1.4019 -1.3774 -1.3486 -1.3287 -1.3124 -0.7595 -0.7423 -0.5142 -0.5006 -0.3405 -0.3288 0.9621 0.9696 2.3382 2.3743 2.5979 2.6488 2.8539 2.9520 3.1774 3.2521 3.5537 3.6403 3.6666 3.7296 4.1930 4.2191 4.3671 4.3804 8.0876 8.1065 8.4155 8.4388 8.6518 8.6607 9.9058 9.9104 k = 0.2241 0.2147 0.8160 ( 5694 PWs) bands (ev): -7.7727 -7.7722 -7.6898 -7.6892 -7.5612 -7.5610 -7.4273 -7.4268 -1.7450 -1.7123 -1.6981 -1.6851 -1.4618 -1.4002 -1.3774 -1.3475 -1.3306 -1.3126 -0.7440 -0.7292 -0.5357 -0.5191 -0.3638 -0.3533 0.9528 0.9586 2.3551 2.3895 2.6354 2.6828 2.8369 2.9359 3.1718 3.2471 3.5683 3.6577 3.6798 3.7464 4.2001 4.2219 4.3762 4.3866 8.0756 8.0904 8.4127 8.4329 8.6310 8.6399 9.9354 9.9389 k = 0.2328 0.2026 0.8308 ( 5684 PWs) bands (ev): -7.7583 -7.7579 -7.6975 -7.6969 -7.5640 -7.5638 -7.4306 -7.4301 -1.7444 -1.7102 -1.6969 -1.6875 -1.4620 -1.3989 -1.3772 -1.3467 -1.3320 -1.3128 -0.7291 -0.7177 -0.5540 -0.5346 -0.3809 -0.3712 0.9462 0.9506 2.3671 2.4005 2.6692 2.7111 2.8193 2.9205 3.1667 3.2412 3.5788 3.6694 3.6918 3.7597 4.2057 4.2230 4.3831 4.3903 8.0673 8.0780 8.4125 8.4284 8.6157 8.6235 9.9568 9.9592 k = 0.2414 0.1906 0.8456 ( 5682 PWs) bands (ev): -7.7461 -7.7457 -7.7059 -7.7053 -7.5654 -7.5653 -7.4326 -7.4322 -1.7440 -1.7090 -1.6951 -1.6899 -1.4622 -1.3982 -1.3769 -1.3462 -1.3329 -1.3130 -0.7168 -0.7104 -0.5669 -0.5454 -0.3912 -0.3821 0.9423 0.9456 2.3744 2.4071 2.6960 2.7298 2.8041 2.9083 3.1631 3.2367 3.5851 3.6759 3.7003 3.7684 4.2095 4.2230 4.3877 4.3919 8.0629 8.0699 8.4138 8.4250 8.6066 8.6126 9.9695 9.9711 k = 0.2500 0.1785 0.8605 ( 5676 PWs) bands (ev): -7.7401 -7.7401 -7.7103 -7.7099 -7.5658 -7.5658 -7.4333 -7.4329 -1.7439 -1.7086 -1.6937 -1.6916 -1.4623 -1.3979 -1.3768 -1.3461 -1.3332 -1.3130 -0.7103 -0.7095 -0.5716 -0.5494 -0.3947 -0.3858 0.9411 0.9438 2.3768 2.4094 2.7079 2.7355 2.7976 2.9034 3.1618 3.2349 3.5873 3.6780 3.7034 3.7714 4.2110 4.2227 4.3897 4.3920 8.0617 8.0669 8.4148 8.4235 8.6037 8.6086 9.9737 9.9750 k = 0.2500 0.1785 0.8605 ( 5676 PWs) bands (ev): -7.7401 -7.7401 -7.7103 -7.7099 -7.5658 -7.5658 -7.4333 -7.4329 -1.7439 -1.7086 -1.6937 -1.6916 -1.4623 -1.3979 -1.3768 -1.3461 -1.3332 -1.3130 -0.7103 -0.7095 -0.5716 -0.5494 -0.3947 -0.3858 0.9411 0.9438 2.3768 2.4094 2.7079 2.7355 2.7976 2.9034 3.1618 3.2349 3.5873 3.6780 3.7034 3.7714 4.2110 4.2227 4.3897 4.3920 8.0617 8.0669 8.4148 8.4235 8.6037 8.6086 9.9737 9.9750 k = 0.2639 0.1884 0.8483 ( 5683 PWs) bands (ev): -7.7422 -7.7419 -7.7088 -7.7084 -7.5657 -7.5656 -7.4331 -7.4326 -1.7439 -1.7088 -1.6944 -1.6908 -1.4620 -1.3981 -1.3767 -1.3463 -1.3330 -1.3130 -0.7170 -0.7127 -0.5702 -0.5484 -0.3891 -0.3803 0.9436 0.9465 2.3666 2.3974 2.7119 2.7377 2.7972 2.8959 3.1692 3.2385 3.5871 3.6714 3.7113 3.7728 4.2108 4.2230 4.3897 4.3926 8.0500 8.0553 8.4257 8.4350 8.6021 8.6074 9.9729 9.9742 k = 0.2778 0.1983 0.8361 ( 5691 PWs) bands (ev): -7.7465 -7.7462 -7.7056 -7.7051 -7.5653 -7.5652 -7.4325 -7.4321 -1.7439 -1.7093 -1.6959 -1.6892 -1.4615 -1.3987 -1.3766 -1.3467 -1.3321 -1.3128 -0.7323 -0.7240 -0.5655 -0.5445 -0.3741 -0.3653 0.9509 0.9542 2.3388 2.3659 2.7158 2.7430 2.7980 2.8770 3.1885 3.2485 3.5871 3.6604 3.7269 3.7775 4.2103 4.2239 4.3898 4.3941 8.0177 8.0231 8.4558 8.4673 8.5976 8.6037 9.9718 9.9727 k = 0.2917 0.2082 0.8239 ( 5689 PWs) bands (ev): -7.7516 -7.7512 -7.7022 -7.7017 -7.5648 -7.5647 -7.4317 -7.4313 -1.7439 -1.7100 -1.6975 -1.6875 -1.4606 -1.3997 -1.3764 -1.3474 -1.3308 -1.3125 -0.7522 -0.7407 -0.5588 -0.5386 -0.3521 -0.3434 0.9630 0.9667 2.2987 2.3223 2.7021 2.7439 2.8067 2.8610 3.2123 3.2624 3.5873 3.6497 3.7459 3.7857 4.2098 4.2253 4.3902 4.3959 7.9719 7.9771 8.4978 8.5136 8.5912 8.5993 9.9711 9.9717 k = 0.3056 0.2182 0.8117 ( 5697 PWs) bands (ev): -7.7566 -7.7562 -7.6991 -7.6986 -7.5642 -7.5640 -7.4309 -7.4304 -1.7439 -1.7109 -1.6995 -1.6859 -1.4596 -1.4011 -1.3763 -1.3483 -1.3293 -1.3122 -0.7729 -0.7591 -0.5513 -0.5321 -0.3251 -0.3164 0.9795 0.9836 2.2512 2.2720 2.6710 2.7210 2.8267 2.8635 3.2342 3.2769 3.5876 3.6397 3.7679 3.7981 4.2095 4.2268 4.3910 4.3979 7.9193 7.9240 8.5388 8.5593 8.5914 8.6033 9.9705 9.9720 k = 0.3194 0.2281 0.7996 ( 5699 PWs) bands (ev): -7.7612 -7.7608 -7.6965 -7.6960 -7.5636 -7.5634 -7.4302 -7.4297 -1.7439 -1.7120 -1.7016 -1.6843 -1.4585 -1.4029 -1.3763 -1.3492 -1.3276 -1.3117 -0.7921 -0.7766 -0.5438 -0.5258 -0.2948 -0.2859 1.0000 1.0046 2.1998 2.2188 2.6293 2.6777 2.8535 2.8800 3.2502 3.2887 3.5878 3.6304 3.7924 3.8145 4.2095 4.2283 4.3920 4.3999 7.8645 7.8683 8.5522 8.5622 8.6317 8.6450 9.9694 9.9727 k = 0.3333 0.2380 0.7874 ( 5695 PWs) bands (ev): -7.7652 -7.7648 -7.6945 -7.6940 -7.5630 -7.5628 -7.4297 -7.4292 -1.7440 -1.7132 -1.7039 -1.6829 -1.4577 -1.4049 -1.3766 -1.3501 -1.3259 -1.3112 -0.8081 -0.7913 -0.5369 -0.5201 -0.2623 -0.2531 1.0243 1.0292 2.1469 2.1647 2.5812 2.6255 2.8822 2.9018 3.2587 3.2956 3.5874 3.6219 3.8179 3.8343 4.2097 4.2296 4.3934 4.4019 7.8110 7.8134 8.5455 8.5510 8.6890 8.7087 9.9665 9.9716 k = 0.3472 0.2479 0.7752 ( 5693 PWs) bands (ev): -7.7685 -7.7681 -7.6930 -7.6926 -7.5624 -7.5623 -7.4295 -7.4291 -1.7441 -1.7145 -1.7065 -1.6818 -1.4574 -1.4073 -1.3770 -1.3510 -1.3244 -1.3108 -0.8198 -0.8020 -0.5305 -0.5149 -0.2288 -0.2191 1.0517 1.0569 2.0942 2.1115 2.5295 2.5699 2.9104 2.9249 3.2597 3.2967 3.5864 3.6142 3.8429 3.8562 4.2100 4.2303 4.3949 4.4037 7.7609 7.7619 8.5345 8.5380 8.7516 8.7766 9.9603 9.9666 k = 0.3611 0.2578 0.7630 ( 5691 PWs) bands (ev): -7.7710 -7.7706 -7.6921 -7.6918 -7.5620 -7.5618 -7.4297 -7.4293 -1.7443 -1.7160 -1.7093 -1.6809 -1.4577 -1.4099 -1.3776 -1.3519 -1.3232 -1.3105 -0.8265 -0.8079 -0.5246 -0.5103 -0.1952 -0.1849 1.0818 1.0872 2.0431 2.0603 2.4761 2.5133 2.9369 2.9478 3.2540 3.2917 3.5847 3.6071 3.8657 3.8786 4.2100 4.2300 4.3962 4.4050 7.7150 7.7170 8.5227 8.5250 8.8162 8.8465 9.9508 9.9576 k = 0.3750 0.2677 0.7508 ( 5691 PWs) bands (ev): -7.7726 -7.7723 -7.6918 -7.6915 -7.5616 -7.5614 -7.4304 -7.4300 -1.7445 -1.7178 -1.7122 -1.6802 -1.4589 -1.4126 -1.3783 -1.3527 -1.3224 -1.3105 -0.8277 -0.8084 -0.5190 -0.5060 -0.1625 -0.1512 1.1138 1.1193 1.9949 2.0120 2.4224 2.4576 2.9606 2.9698 3.2424 3.2811 3.5824 3.6007 3.8853 3.8997 4.2094 4.2286 4.3970 4.4055 7.6753 7.6799 8.5115 8.5128 8.8817 8.9171 9.9388 9.9458 k = 0.3889 0.2777 0.7386 ( 5693 PWs) bands (ev): -7.7734 -7.7731 -7.6921 -7.6919 -7.5613 -7.5611 -7.4315 -7.4311 -1.7449 -1.7200 -1.7150 -1.6797 -1.4611 -1.4153 -1.3789 -1.3536 -1.3219 -1.3107 -0.8231 -0.8033 -0.5138 -0.5019 -0.1313 -0.1191 1.1470 1.1526 1.9504 1.9677 2.3697 2.4039 2.9806 2.9905 3.2259 3.2657 3.5796 3.5948 3.9013 3.9180 4.2077 4.2257 4.3964 4.4043 7.6436 7.6511 8.5014 8.5024 8.9473 8.9880 9.9246 9.9320 k = 0.4028 0.2876 0.7264 ( 5688 PWs) bands (ev): -7.7732 -7.7729 -7.6933 -7.6932 -7.5610 -7.5609 -7.4328 -7.4325 -1.7453 -1.7228 -1.7174 -1.6794 -1.4642 -1.4182 -1.3794 -1.3544 -1.3217 -1.3112 -0.8128 -0.7925 -0.5086 -0.4979 -0.1023 -0.0891 1.1807 1.1863 1.9105 1.9281 2.3192 2.3534 2.9967 3.0091 3.2055 3.2464 3.5764 3.5895 3.9138 3.9331 4.2046 4.2212 4.3935 4.4007 7.6209 7.6316 8.4929 8.4946 9.0123 9.0585 9.9076 9.9163 k = 0.4167 0.2975 0.7143 ( 5685 PWs) bands (ev): -7.7722 -7.7719 -7.6954 -7.6953 -7.5608 -7.5606 -7.4344 -7.4341 -1.7458 -1.7261 -1.7196 -1.6793 -1.4680 -1.4211 -1.3799 -1.3551 -1.3218 -1.3119 -0.7969 -0.7763 -0.5034 -0.4938 -0.0764 -0.0621 1.2136 1.2194 1.8759 1.8939 2.2721 2.3072 3.0088 3.0243 3.1820 3.2241 3.5728 3.5844 3.9227 3.9448 4.1997 4.2152 4.3876 4.3941 7.6077 7.6216 8.4869 8.4896 9.0760 9.1279 9.8871 9.8979 k = 0.4306 0.3074 0.7021 ( 5675 PWs) bands (ev): -7.7702 -7.7699 -7.6987 -7.6986 -7.5604 -7.5603 -7.4361 -7.4357 -1.7466 -1.7297 -1.7215 -1.6794 -1.4725 -1.4241 -1.3803 -1.3557 -1.3222 -1.3128 -0.7757 -0.7548 -0.4980 -0.4895 -0.0540 -0.0386 1.2448 1.2509 1.8473 1.8658 2.2296 2.2664 3.0161 3.0351 3.1566 3.1999 3.5689 3.5795 3.9284 3.9535 4.1928 4.2077 4.3778 4.3840 7.6039 7.6210 8.4842 8.4879 9.1378 9.1955 9.8619 9.8757 k = 0.4444 0.3173 0.6899 ( 5673 PWs) bands (ev): -7.7673 -7.7670 -7.7033 -7.7033 -7.5599 -7.5598 -7.4376 -7.4373 -1.7476 -1.7332 -1.7232 -1.6796 -1.4772 -1.4272 -1.3805 -1.3561 -1.3227 -1.3138 -0.7497 -0.7286 -0.4921 -0.4846 -0.0356 -0.0191 1.2730 1.2798 1.8249 1.8441 2.1928 2.2322 3.0173 3.0401 3.1308 3.1753 3.5647 3.5746 3.9312 3.9594 4.1838 4.1987 4.3640 4.3705 7.6090 7.6293 8.4852 8.4899 9.1965 9.2605 9.8315 9.8482 k = 0.4583 0.3272 0.6777 ( 5667 PWs) bands (ev): -7.7635 -7.7633 -7.7095 -7.7094 -7.5591 -7.5590 -7.4389 -7.4386 -1.7490 -1.7366 -1.7249 -1.6798 -1.4820 -1.4304 -1.3807 -1.3564 -1.3234 -1.3149 -0.7197 -0.6983 -0.4852 -0.4789 -0.0217 -0.0040 1.2971 1.3049 1.8088 1.8292 2.1630 2.2057 3.0104 3.0379 3.1063 3.1525 3.5600 3.5695 3.9311 3.9625 4.1728 4.1883 4.3467 4.3544 7.6222 7.6453 8.4904 8.4962 9.2509 9.3214 9.7952 9.8145 k = 0.4722 0.3372 0.6655 ( 5663 PWs) bands (ev): -7.7591 -7.7589 -7.7172 -7.7170 -7.5579 -7.5577 -7.4398 -7.4394 -1.7509 -1.7395 -1.7265 -1.6801 -1.4868 -1.4335 -1.3808 -1.3565 -1.3243 -1.3159 -0.6865 -0.6650 -0.4768 -0.4719 -0.0123 0.0065 1.3161 1.3252 1.7991 1.8208 2.1415 2.1879 2.9936 3.0272 3.0847 3.1335 3.5547 3.5641 3.9281 3.9626 4.1599 4.1766 4.3270 4.3367 7.6422 7.6677 8.5003 8.5071 9.2991 9.3764 9.7529 9.7739 k = 0.4861 0.3471 0.6533 ( 5662 PWs) bands (ev): -7.7547 -7.7546 -7.7260 -7.7257 -7.5561 -7.5560 -7.4401 -7.4397 -1.7534 -1.7418 -1.7278 -1.6804 -1.4913 -1.4366 -1.3810 -1.3565 -1.3252 -1.3169 -0.6519 -0.6301 -0.4657 -0.4622 -0.0075 0.0124 1.3296 1.3399 1.7952 1.8186 2.1290 2.1793 2.9676 3.0070 3.0662 3.1183 3.5487 3.5581 3.9216 3.9591 4.1454 4.1637 4.3069 4.3188 7.6672 7.6946 8.5151 8.5228 9.3377 9.4220 9.7047 9.7259 k = 0.5000 0.3570 0.6412 ( 5672 PWs) bands (ev): -7.7536 -7.7535 -7.7326 -7.7324 -7.5537 -7.5535 -7.4398 -7.4395 -1.7563 -1.7438 -1.7290 -1.6808 -1.4954 -1.4395 -1.3811 -1.3564 -1.3261 -1.3179 -0.6181 -0.5961 -0.4503 -0.4477 -0.0070 0.0139 1.3373 1.3485 1.7967 1.8218 2.1261 2.1800 2.9353 2.9787 3.0495 3.1048 3.5418 3.5516 3.9108 3.9507 4.1301 4.1503 4.2884 4.3026 7.6956 7.7243 8.5346 8.5431 9.3611 9.4509 9.6516 9.6714 k = 0.5000 0.3570 0.6412 ( 5672 PWs) bands (ev): -7.7536 -7.7535 -7.7326 -7.7324 -7.5537 -7.5535 -7.4398 -7.4395 -1.7563 -1.7438 -1.7290 -1.6808 -1.4954 -1.4395 -1.3811 -1.3564 -1.3261 -1.3179 -0.6181 -0.5961 -0.4503 -0.4477 -0.0070 0.0139 1.3373 1.3485 1.7967 1.8218 2.1261 2.1800 2.9353 2.9787 3.0495 3.1048 3.5418 3.5516 3.9108 3.9507 4.1301 4.1503 4.2884 4.3026 7.6956 7.7243 8.5346 8.5431 9.3611 9.4509 9.6516 9.6714 k = 0.5000 0.3570 0.6205 ( 5680 PWs) bands (ev): -7.7595 -7.7594 -7.7383 -7.7380 -7.5484 -7.5482 -7.4384 -7.4380 -1.7613 -1.7468 -1.7308 -1.6813 -1.5018 -1.4442 -1.3814 -1.3561 -1.3277 -1.3194 -0.5623 -0.5403 -0.4190 -0.4159 -0.0093 0.0129 1.3461 1.3588 1.8037 1.8317 2.1290 2.1889 2.8756 2.9238 3.0222 3.0823 3.5288 3.5396 3.8885 3.9311 4.1027 4.1261 4.2605 4.2783 7.7468 7.7771 8.5707 8.5808 9.3664 9.4579 9.5573 9.5736 k = 0.5000 0.3570 0.5998 ( 5678 PWs) bands (ev): -7.7666 -7.7665 -7.7449 -7.7446 -7.5418 -7.5417 -7.4360 -7.4356 -1.7662 -1.7496 -1.7326 -1.6818 -1.5077 -1.4486 -1.3816 -1.3557 -1.3296 -1.3207 -0.5050 -0.4836 -0.3864 -0.3826 -0.0110 0.0119 1.3559 1.3700 1.8111 1.8422 2.1318 2.1979 2.8148 2.8669 2.9961 3.0608 3.5152 3.5272 3.8664 3.9113 4.0729 4.0988 4.2348 4.2558 7.8000 7.8315 8.6045 8.6167 9.3361 9.4182 9.4622 9.4765 k = 0.5000 0.3570 0.5791 ( 5678 PWs) bands (ev): -7.7749 -7.7748 -7.7525 -7.7522 -7.5340 -7.5339 -7.4326 -7.4322 -1.7707 -1.7525 -1.7342 -1.6823 -1.5129 -1.4529 -1.3818 -1.3555 -1.3315 -1.3219 -0.4476 -0.4275 -0.3524 -0.3481 -0.0113 0.0114 1.3667 1.3824 1.8190 1.8533 2.1344 2.2067 2.7541 2.8096 2.9714 3.0404 3.5009 3.5143 3.8449 3.8913 4.0412 4.0688 4.2116 4.2350 7.8545 7.8869 8.6341 8.6489 9.2749 9.3385 9.3679 9.3833 k = 0.5000 0.3570 0.5584 ( 5680 PWs) bands (ev): -7.7841 -7.7840 -7.7611 -7.7608 -7.5250 -7.5248 -7.4283 -7.4279 -1.7749 -1.7554 -1.7357 -1.6828 -1.5175 -1.4568 -1.3820 -1.3554 -1.3334 -1.3231 -0.3922 -0.3746 -0.3172 -0.3120 -0.0084 0.0123 1.3785 1.3960 1.8272 1.8650 2.1367 2.2152 2.6947 2.7529 2.9483 3.0213 3.4862 3.5010 3.8240 3.8710 4.0083 4.0370 4.1907 4.2158 7.9096 7.9425 8.6569 8.6750 9.1946 9.2431 9.2729 9.2889 k = 0.5000 0.3570 0.5377 ( 5680 PWs) bands (ev): -7.7943 -7.7942 -7.7706 -7.7703 -7.5149 -7.5147 -7.4231 -7.4227 -1.7786 -1.7583 -1.7371 -1.6834 -1.5215 -1.4605 -1.3822 -1.3556 -1.3352 -1.3243 -0.3431 -0.3279 -0.2808 -0.2727 0.0001 0.0162 1.3915 1.4110 1.8358 1.8771 2.1384 2.2230 2.6377 2.6979 2.9272 3.0039 3.4710 3.4875 3.8037 3.8503 3.9751 4.0047 4.1717 4.1979 7.9645 7.9975 8.6694 8.6914 9.1064 9.1473 9.1789 9.1916 k = 0.5000 0.3570 0.5171 ( 5684 PWs) bands (ev): -7.8051 -7.8050 -7.7811 -7.7807 -7.5038 -7.5036 -7.4169 -7.4165 -1.7818 -1.7612 -1.7384 -1.6839 -1.5249 -1.4639 -1.3824 -1.3563 -1.3367 -1.3254 -0.3053 -0.2898 -0.2442 -0.2299 0.0174 0.0261 1.4059 1.4276 1.8446 1.8897 2.1395 2.2299 2.5840 2.6452 2.9083 2.9883 3.4555 3.4737 3.7838 3.8291 3.9422 3.9734 4.1542 4.1812 8.0183 8.0510 8.6665 8.6924 9.0166 9.0564 9.0890 9.0978 k = 0.5000 0.3570 0.4964 ( 5684 PWs) bands (ev): -7.8166 -7.8166 -7.7922 -7.7917 -7.4919 -7.4916 -7.4100 -7.4096 -1.7844 -1.7641 -1.7395 -1.6844 -1.5278 -1.4670 -1.3826 -1.3575 -1.3378 -1.3265 -0.2801 -0.2624 -0.2091 -0.1875 0.0419 0.0507 1.4217 1.4460 1.8536 1.9026 2.1399 2.2353 2.5348 2.5959 2.8921 2.9748 3.4396 3.4597 3.7640 3.8073 3.9099 3.9445 4.1379 4.1655 8.0700 8.1018 8.6425 8.6710 8.9261 8.9665 9.0085 9.0233 k = 0.5000 0.3570 0.4757 ( 5680 PWs) bands (ev): -7.8286 -7.8286 -7.8039 -7.8034 -7.4791 -7.4789 -7.4023 -7.4019 -1.7865 -1.7668 -1.7406 -1.6849 -1.5301 -1.4698 -1.3828 -1.3593 -1.3387 -1.3276 -0.2672 -0.2461 -0.1765 -0.1501 0.0739 0.0937 1.4392 1.4664 1.8627 1.9157 2.1392 2.2386 2.4914 2.5504 2.8788 2.9635 3.4235 3.4456 3.7432 3.7852 3.8788 3.9194 4.1226 4.1506 8.1182 8.1485 8.5944 8.6229 8.8342 8.8708 8.9502 8.9730 k = 0.5000 0.3570 0.4550 ( 5680 PWs) bands (ev): -7.8410 -7.8410 -7.8160 -7.8155 -7.4658 -7.4655 -7.3940 -7.3936 -1.7881 -1.7694 -1.7416 -1.6854 -1.5319 -1.4723 -1.3830 -1.3615 -1.3393 -1.3287 -0.2661 -0.2396 -0.1464 -0.1193 0.1187 0.1481 1.4586 1.4891 1.8719 1.9290 2.1372 2.2390 2.4549 2.5097 2.8685 2.9546 3.4073 3.4314 3.7205 3.7632 3.8498 3.8989 4.1082 4.1365 8.1611 8.1890 8.5265 8.5530 8.7424 8.7742 8.9076 8.9408 k = 0.5000 0.3570 0.4343 ( 5682 PWs) bands (ev): -7.8537 -7.8537 -7.8284 -7.8279 -7.4519 -7.4516 -7.3851 -7.3847 -1.7891 -1.7719 -1.7426 -1.6859 -1.5332 -1.4746 -1.3832 -1.3642 -1.3398 -1.3297 -0.2745 -0.2421 -0.1188 -0.0937 0.1740 0.2097 1.4800 1.5142 1.8811 1.9424 2.1338 2.2358 2.4268 2.4743 2.8613 2.9479 3.3910 3.4172 3.6951 3.7412 3.8243 3.8830 4.0946 4.1232 8.1958 8.2204 8.4463 8.4706 8.6542 8.6814 8.8694 8.9159 k = 0.5000 0.3570 0.4136 ( 5682 PWs) bands (ev): -7.8667 -7.8666 -7.8410 -7.8404 -7.4377 -7.4373 -7.3759 -7.3754 -1.7896 -1.7742 -1.7436 -1.6862 -1.5339 -1.4766 -1.3834 -1.3671 -1.3404 -1.3306 -0.2900 -0.2522 -0.0936 -0.0715 0.2360 0.2757 1.5034 1.5418 1.8903 1.9556 2.1286 2.2285 2.4076 2.4452 2.8572 2.9436 3.3746 3.4030 3.6672 3.7183 3.8041 3.8712 4.0818 4.1106 8.2171 8.2377 8.3604 8.3832 8.5744 8.5966 8.8286 8.8883 k = 0.5000 0.3570 0.3930 ( 5682 PWs) bands (ev): -7.8797 -7.8796 -7.8535 -7.8529 -7.4232 -7.4228 -7.3663 -7.3658 -1.7896 -1.7763 -1.7447 -1.6866 -1.5341 -1.4783 -1.3836 -1.3703 -1.3410 -1.3314 -0.3106 -0.2684 -0.0712 -0.0520 0.3019 0.3439 1.5289 1.5721 1.8994 1.9685 2.1215 2.2179 2.3961 2.4236 2.8561 2.9414 3.3584 3.3888 3.6376 3.6935 3.7902 3.8632 4.0698 4.0987 8.2155 8.2341 8.2734 8.2963 8.5090 8.5254 8.7835 8.8474 k = 0.5000 0.3570 0.3723 ( 5668 PWs) bands (ev): -7.8926 -7.8926 -7.8660 -7.8654 -7.4085 -7.4081 -7.3564 -7.3560 -1.7890 -1.7782 -1.7458 -1.6868 -1.5338 -1.4797 -1.3838 -1.3737 -1.3419 -1.3321 -0.3350 -0.2894 -0.0518 -0.0350 0.3695 0.4131 1.5564 1.6049 1.9084 1.9809 2.1128 2.2055 2.3889 2.4119 2.8578 2.9414 3.3423 3.3748 3.6073 3.6669 3.7821 3.8585 4.0586 4.0876 8.1767 8.1824 8.2096 8.2182 8.4609 8.4727 8.7381 8.7914 k = 0.5000 0.3570 0.3516 ( 5670 PWs) bands (ev): -7.9055 -7.9055 -7.8782 -7.8776 -7.3938 -7.3934 -7.3465 -7.3460 -1.7880 -1.7799 -1.7470 -1.6869 -1.5330 -1.4808 -1.3840 -1.3772 -1.3430 -1.3327 -0.3623 -0.3141 -0.0354 -0.0207 0.4375 0.4822 1.5856 1.6400 1.9171 1.9925 2.1030 2.1928 2.3832 2.4115 2.8621 2.9432 3.3264 3.3611 3.5768 3.6393 3.7790 3.8568 4.0482 4.0773 8.0980 8.1043 8.1482 8.1587 8.4214 8.4346 8.6991 8.7354 k = 0.5000 0.3570 0.3309 ( 5672 PWs) bands (ev): -7.9182 -7.9181 -7.8901 -7.8895 -7.3792 -7.3788 -7.3365 -7.3361 -1.7865 -1.7812 -1.7483 -1.6870 -1.5317 -1.4816 -1.3846 -1.3805 -1.3443 -1.3333 -0.3916 -0.3416 -0.0221 -0.0092 0.5051 0.5503 1.6163 1.6769 1.9255 2.0029 2.0932 2.1807 2.3810 2.4193 2.8686 2.9468 3.3109 3.3475 3.5464 3.6116 3.7797 3.8576 4.0387 4.0677 8.0156 8.0240 8.0773 8.0919 8.3777 8.3976 8.6704 8.6893 k = 0.5000 0.3570 0.3102 ( 5664 PWs) bands (ev): -7.9306 -7.9305 -7.9017 -7.9011 -7.3648 -7.3644 -7.3266 -7.3261 -1.7851 -1.7819 -1.7497 -1.6870 -1.5298 -1.4821 -1.3867 -1.3824 -1.3459 -1.3339 -0.4223 -0.3712 -0.0118 -0.0004 0.5716 0.6168 1.6479 1.7151 1.9335 2.0114 2.0845 2.1699 2.3839 2.4325 2.8772 2.9520 3.2956 3.3343 3.5165 3.5841 3.7838 3.8607 4.0301 4.0590 7.9366 7.9454 8.0034 8.0190 8.3252 8.3513 8.6489 8.6543 k = 0.5000 0.3570 0.2896 ( 5666 PWs) bands (ev): -7.9426 -7.9425 -7.9128 -7.9122 -7.3506 -7.3503 -7.3168 -7.3164 -1.7848 -1.7808 -1.7512 -1.6870 -1.5274 -1.4823 -1.3902 -1.3830 -1.3477 -1.3346 -0.4540 -0.4022 -0.0042 0.0059 0.6362 0.6813 1.6800 1.7538 1.9410 2.0174 2.0784 2.1605 2.3924 2.4503 2.8874 2.9585 3.2808 3.3214 3.4872 3.5571 3.7905 3.8659 4.0225 4.0511 7.8617 7.8704 7.9296 7.9451 8.2657 8.2953 8.6195 8.6305 k = 0.5000 0.3570 0.2689 ( 5666 PWs) bands (ev): -7.9541 -7.9541 -7.9233 -7.9228 -7.3369 -7.3366 -7.3073 -7.3069 -1.7854 -1.7782 -1.7528 -1.6871 -1.5244 -1.4821 -1.3943 -1.3830 -1.3497 -1.3355 -0.4860 -0.4341 0.0007 0.0097 0.6986 0.7431 1.7118 1.7919 1.9479 2.0200 2.0757 2.1526 2.4065 2.4724 2.8989 2.9662 3.2665 3.3088 3.4585 3.5307 3.7995 3.8726 4.0160 4.0441 7.7914 7.7997 7.8579 7.8727 8.2027 8.2333 8.5833 8.6008 k = 0.5000 0.3570 0.2482 ( 5654 PWs) bands (ev): -7.9651 -7.9651 -7.9333 -7.9328 -7.3237 -7.3234 -7.2981 -7.2977 -1.7860 -1.7749 -1.7544 -1.6872 -1.5209 -1.4815 -1.3985 -1.3829 -1.3518 -1.3365 -0.5178 -0.4663 0.0035 0.0114 0.7584 0.8019 1.7428 1.8287 1.9541 2.0193 2.0765 2.1463 2.4261 2.4985 2.9115 2.9748 3.2527 3.2968 3.4304 3.5051 3.8102 3.8806 4.0105 4.0380 7.7260 7.7340 7.7895 7.8033 8.1389 8.1691 8.5413 8.5600 k = 0.5000 0.3570 0.2275 ( 5650 PWs) bands (ev): -7.9755 -7.9755 -7.9427 -7.9422 -7.3112 -7.3108 -7.2893 -7.2889 -1.7865 -1.7714 -1.7560 -1.6875 -1.5167 -1.4804 -1.4029 -1.3827 -1.3541 -1.3379 -0.5489 -0.4983 0.0043 0.0114 0.8152 0.8573 1.7723 1.8630 1.9596 2.0164 2.0796 2.1415 2.4510 2.5284 2.9248 2.9840 3.2394 3.2851 3.4030 3.4801 3.8223 3.8893 4.0064 4.0329 7.6658 7.6734 7.7251 7.7378 8.0761 8.1051 8.4948 8.5122 k = 0.5000 0.3570 0.2068 ( 5646 PWs) bands (ev): -7.9852 -7.9852 -7.9514 -7.9509 -7.2993 -7.2990 -7.2810 -7.2806 -1.7868 -1.7679 -1.7573 -1.6880 -1.5121 -1.4790 -1.4073 -1.3824 -1.3566 -1.3395 -0.5788 -0.5298 0.0037 0.0099 0.8686 0.9090 1.8000 1.8941 1.9643 2.0127 2.0839 2.1380 2.4810 2.5618 2.9384 2.9937 3.2268 3.2740 3.3762 3.4557 3.8353 3.8984 4.0035 4.0287 7.6111 7.6183 7.6654 7.6768 8.0156 8.0430 8.4457 8.4611 k = 0.5000 0.3570 0.1861 ( 5650 PWs) bands (ev): -7.9942 -7.9941 -7.9594 -7.9590 -7.2883 -7.2880 -7.2732 -7.2729 -1.7869 -1.7655 -1.7572 -1.6888 -1.5070 -1.4769 -1.4118 -1.3821 -1.3593 -1.3415 -0.6071 -0.5602 0.0018 0.0073 0.9184 0.9566 1.8256 1.9213 1.9681 2.0090 2.0884 2.1355 2.5157 2.5979 2.9522 3.0035 3.2148 3.2634 3.3499 3.4318 3.8486 3.9071 4.0022 4.0255 7.5619 7.5688 7.6107 7.6207 7.9583 7.9838 8.3957 8.4091 k = 0.5000 0.3570 0.1655 ( 5646 PWs) bands (ev): -8.0023 -8.0023 -7.9666 -7.9662 -7.2781 -7.2778 -7.2661 -7.2658 -1.7868 -1.7654 -1.7546 -1.6899 -1.5015 -1.4743 -1.4163 -1.3818 -1.3621 -1.3438 -0.6333 -0.5891 -0.0008 0.0040 0.9643 0.9998 1.8487 1.9444 1.9709 2.0059 2.0929 2.1339 2.5540 2.6361 2.9659 3.0132 3.2034 3.2535 3.3244 3.4083 3.8620 3.9150 4.0024 4.0234 7.5185 7.5251 7.5613 7.5700 7.9049 7.9283 8.3461 8.3578 k = 0.5000 0.3570 0.1448 ( 5634 PWs) bands (ev): -8.0096 -8.0096 -7.9731 -7.9727 -7.2690 -7.2687 -7.2596 -7.2594 -1.7865 -1.7667 -1.7503 -1.6914 -1.4958 -1.4710 -1.4207 -1.3817 -1.3650 -1.3464 -0.6569 -0.6162 -0.0039 0.0002 1.0060 1.0384 1.8692 1.9624 1.9731 2.0040 2.0971 2.1329 2.5952 2.6751 2.9792 3.0224 3.1927 3.2442 3.2996 3.3852 3.8747 3.9216 4.0042 4.0223 7.4807 7.4870 7.5176 7.5248 7.8559 7.8770 8.2984 8.3085 k = 0.5000 0.3570 0.1241 ( 5638 PWs) bands (ev): -8.0160 -8.0160 -7.9787 -7.9784 -7.2609 -7.2606 -7.2539 -7.2537 -1.7861 -1.7685 -1.7453 -1.6934 -1.4902 -1.4670 -1.4248 -1.3821 -1.3677 -1.3493 -0.6777 -0.6410 -0.0072 -0.0037 1.0432 1.0721 1.8873 1.9698 1.9803 2.0035 2.1010 2.1321 2.6377 2.7138 2.9919 3.0306 3.1827 3.2355 3.2761 3.3626 3.8866 3.9267 4.0073 4.0222 7.4486 7.4547 7.4798 7.4855 7.8119 7.8306 8.2536 8.2624 k = 0.5000 0.3570 0.1034 ( 5640 PWs) bands (ev): -8.0215 -8.0215 -7.9835 -7.9833 -7.2539 -7.2537 -7.2490 -7.2488 -1.7854 -1.7704 -1.7402 -1.6958 -1.4849 -1.4626 -1.4283 -1.3838 -1.3697 -1.3522 -0.6952 -0.6633 -0.0103 -0.0075 1.0757 1.1006 1.9029 1.9691 1.9899 2.0049 2.1048 2.1314 2.6804 2.7506 3.0038 3.0374 3.1734 3.2267 3.2553 3.3404 3.8972 3.9301 4.0114 4.0229 7.4219 7.4278 7.4480 7.4523 7.7736 7.7895 8.2132 8.2206 k = 0.5000 0.3570 0.0827 ( 5642 PWs) bands (ev): -8.0260 -8.0260 -7.9875 -7.9873 -7.2481 -7.2479 -7.2449 -7.2447 -1.7846 -1.7724 -1.7349 -1.6987 -1.4798 -1.4584 -1.4306 -1.3873 -1.3704 -1.3552 -0.7091 -0.6827 -0.0132 -0.0109 1.1032 1.1238 1.9160 1.9666 1.9965 2.0078 2.1086 2.1305 2.7215 2.7836 3.0146 3.0425 3.1650 3.2152 3.2409 3.3190 3.9064 3.9321 4.0157 4.0242 7.4003 7.4061 7.4223 7.4256 7.7413 7.7544 8.1782 8.1843 k = 0.5000 0.3570 0.0620 ( 5644 PWs) bands (ev): -8.0296 -8.0296 -7.9906 -7.9904 -7.2436 -7.2434 -7.2416 -7.2415 -1.7836 -1.7743 -1.7296 -1.7020 -1.4750 -1.4559 -1.4303 -1.3924 -1.3700 -1.3580 -0.7194 -0.6990 -0.0156 -0.0139 1.1255 1.1413 1.9270 1.9632 2.0010 2.0107 2.1124 2.1293 2.7595 2.8107 3.0240 3.0455 3.1583 3.1996 3.2353 3.2988 3.9140 3.9329 4.0199 4.0256 7.3836 7.3888 7.4029 7.4056 7.7157 7.7258 8.1499 8.1546 k = 0.5000 0.3570 0.0414 ( 5648 PWs) bands (ev): -8.0321 -8.0321 -7.9928 -7.9927 -7.2404 -7.2403 -7.2392 -7.2391 -1.7824 -1.7762 -1.7243 -1.7058 -1.4705 -1.4562 -1.4266 -1.3987 -1.3689 -1.3607 -0.7257 -0.7118 -0.0173 -0.0161 1.1425 1.1532 1.9359 1.9592 2.0047 2.0122 2.1160 2.1276 2.7923 2.8294 3.0318 3.0462 3.1543 3.1835 3.2361 3.2803 3.9202 3.9325 4.0233 4.0269 7.3719 7.3757 7.3898 7.3918 7.6974 7.7042 8.1291 8.1323 k = 0.5000 0.3570 0.0207 ( 5650 PWs) bands (ev): -8.0337 -8.0337 -7.9941 -7.9941 -7.2385 -7.2384 -7.2377 -7.2376 -1.7811 -1.7779 -1.7193 -1.7099 -1.4662 -1.4587 -1.4204 -1.4058 -1.3673 -1.3632 -0.7281 -0.7211 -0.0182 -0.0177 1.1538 1.1592 1.9433 1.9546 2.0079 2.0120 2.1195 2.1254 2.8178 2.8374 3.0377 3.0450 3.1545 3.1698 3.2415 3.2641 3.9250 3.9310 4.0258 4.0275 7.3651 7.3671 7.3826 7.3837 7.6869 7.6904 8.1167 8.1184 k = 0.5000 0.3570-0.0000 ( 5654 PWs) bands (ev): -8.0342 -8.0342 -7.9946 -7.9946 -7.2379 -7.2379 -7.2371 -7.2371 -1.7796 -1.7796 -1.7145 -1.7145 -1.4622 -1.4622 -1.4132 -1.4132 -1.3654 -1.3654 -0.7266 -0.7266 -0.0184 -0.0184 1.1594 1.1594 1.9494 1.9494 2.0105 2.0105 2.1227 2.1227 2.8334 2.8334 3.0421 3.0421 3.1597 3.1597 3.2510 3.2510 3.9285 3.9285 4.0272 4.0272 7.3635 7.3635 7.3806 7.3806 7.6845 7.6845 8.1131 8.1131 k = 0.0000 0.0000 0.8605 ( 5700 PWs) bands (ev): -7.7423 -7.7423 -7.7108 -7.7108 -7.5633 -7.5633 -7.4322 -7.4322 -1.7278 -1.7278 -1.6893 -1.6893 -1.4203 -1.4203 -1.3594 -1.3594 -1.3115 -1.3115 -0.9534 -0.9534 -0.6311 -0.6311 0.0106 0.0106 1.2946 1.2946 1.7641 1.7641 2.1151 2.1151 3.2077 3.2077 3.3442 3.3442 3.6216 3.6216 4.0772 4.0772 4.2626 4.2626 4.5057 4.5057 7.4031 7.4031 8.2827 8.2827 8.8709 8.8709 9.9414 9.9414 k = 0.0167 0.0119 0.8605 ( 5694 PWs) bands (ev): -7.7422 -7.7422 -7.7108 -7.7108 -7.5633 -7.5633 -7.4323 -7.4322 -1.7296 -1.7259 -1.6895 -1.6891 -1.4236 -1.4172 -1.3605 -1.3582 -1.3125 -1.3107 -0.9519 -0.9512 -0.6314 -0.6294 0.0063 0.0073 1.2885 1.2896 1.7688 1.7692 2.1207 2.1256 3.2049 3.2049 3.3436 3.3441 3.6205 3.6225 4.0746 4.0746 4.2609 4.2624 4.5042 4.5042 7.4080 7.4081 8.2859 8.2859 8.8688 8.8689 9.9420 9.9423 k = 0.0333 0.0238 0.8605 ( 5700 PWs) bands (ev): -7.7422 -7.7422 -7.7108 -7.7107 -7.5634 -7.5634 -7.4323 -7.4322 -1.7314 -1.7240 -1.6898 -1.6891 -1.4271 -1.4144 -1.3618 -1.3572 -1.3138 -1.3102 -0.9470 -0.9456 -0.6303 -0.6262 -0.0054 -0.0036 1.2721 1.2741 1.7832 1.7842 2.1417 2.1513 3.1964 3.1965 3.3421 3.3432 3.6192 3.6232 4.0668 4.0669 4.2574 4.2603 4.4997 4.4998 7.4225 7.4227 8.2952 8.2952 8.8625 8.8627 9.9439 9.9445 k = 0.0500 0.0357 0.8605 ( 5684 PWs) bands (ev): -7.7421 -7.7421 -7.7108 -7.7107 -7.5635 -7.5635 -7.4324 -7.4322 -1.7331 -1.7221 -1.6901 -1.6891 -1.4308 -1.4119 -1.3631 -1.3561 -1.3154 -1.3099 -0.9386 -0.9367 -0.6279 -0.6218 -0.0241 -0.0214 1.2471 1.2498 1.8070 1.8089 2.1761 2.1900 3.1823 3.1824 3.3397 3.3416 3.6177 3.6239 4.0537 4.0539 4.2526 4.2568 4.4926 4.4927 7.4465 7.4467 8.3103 8.3103 8.8520 8.8522 9.9470 9.9480 k = 0.0667 0.0476 0.8605 ( 5688 PWs) bands (ev): -7.7419 -7.7419 -7.7108 -7.7106 -7.5637 -7.5637 -7.4325 -7.4323 -1.7347 -1.7202 -1.6906 -1.6892 -1.4347 -1.4097 -1.3644 -1.3551 -1.3171 -1.3099 -0.9269 -0.9244 -0.6242 -0.6162 -0.0490 -0.0455 1.2160 1.2193 1.8395 1.8425 2.2212 2.2391 3.1625 3.1627 3.3362 3.3391 3.6159 3.6246 4.0352 4.0356 4.2471 4.2524 4.4833 4.4834 7.4792 7.4795 8.3308 8.3308 8.8367 8.8370 9.9513 9.9524 k = 0.0833 0.0595 0.8605 ( 5698 PWs) bands (ev): -7.7417 -7.7417 -7.7107 -7.7105 -7.5639 -7.5639 -7.4326 -7.4323 -1.7363 -1.7184 -1.6910 -1.6894 -1.4386 -1.4078 -1.3658 -1.3541 -1.3189 -1.3100 -0.9120 -0.9092 -0.6194 -0.6096 -0.0791 -0.0748 1.1812 1.1848 1.8798 1.8842 2.2743 2.2961 3.1374 3.1375 3.3314 3.3355 3.6139 3.6254 4.0114 4.0122 4.2414 4.2478 4.4725 4.4725 7.5202 7.5204 8.3559 8.3560 8.8165 8.8168 9.9562 9.9576 k = 0.1000 0.0714 0.8605 ( 5706 PWs) bands (ev): -7.7415 -7.7415 -7.7107 -7.7104 -7.5642 -7.5641 -7.4327 -7.4324 -1.7377 -1.7167 -1.6915 -1.6896 -1.4424 -1.4061 -1.3673 -1.3531 -1.3209 -1.3103 -0.8941 -0.8911 -0.6138 -0.6022 -0.1133 -0.1083 1.1447 1.1484 1.9270 1.9329 2.3332 2.3588 3.1069 3.1069 3.3248 3.3307 3.6116 3.6265 3.9826 3.9845 4.2359 4.2432 4.4606 4.4607 7.5685 7.5686 8.3847 8.3848 8.7908 8.7911 9.9615 9.9629 k = 0.1167 0.0833 0.8605 ( 5706 PWs) bands (ev): -7.7413 -7.7413 -7.7106 -7.7104 -7.5644 -7.5644 -7.4328 -7.4325 -1.7390 -1.7151 -1.6919 -1.6899 -1.4461 -1.4045 -1.3688 -1.3521 -1.3228 -1.3107 -0.8737 -0.8706 -0.6075 -0.5943 -0.1505 -0.1450 1.1082 1.1120 1.9797 1.9872 2.3956 2.4253 3.0713 3.0714 3.3161 3.3244 3.6090 3.6279 3.9498 3.9533 4.2308 4.2390 4.4482 4.4486 7.6232 7.6232 8.4161 8.4162 8.7594 8.7598 9.9667 9.9681 k = 0.1333 0.0952 0.8605 ( 5702 PWs) bands (ev): -7.7411 -7.7411 -7.7106 -7.7103 -7.5647 -7.5647 -7.4329 -7.4325 -1.7401 -1.7136 -1.6923 -1.6902 -1.4495 -1.4032 -1.3702 -1.3511 -1.3247 -1.3111 -0.8509 -0.8479 -0.6010 -0.5863 -0.1897 -0.1836 1.0732 1.0769 2.0367 2.0460 2.4598 2.4940 3.0311 3.0314 3.3047 3.3163 3.6062 3.6299 3.9140 3.9201 4.2263 4.2353 4.4361 4.4368 7.6829 7.6831 8.4489 8.4489 8.7223 8.7227 9.9713 9.9724 k = 0.1500 0.1071 0.8605 ( 5694 PWs) bands (ev): -7.7409 -7.7408 -7.7105 -7.7102 -7.5649 -7.5649 -7.4330 -7.4326 -1.7411 -1.7123 -1.6927 -1.6905 -1.4527 -1.4019 -1.3716 -1.3501 -1.3266 -1.3116 -0.8264 -0.8236 -0.5944 -0.5783 -0.2297 -0.2231 1.0408 1.0443 2.0967 2.1080 2.5240 2.5631 2.9872 2.9875 3.2900 3.3061 3.6030 3.6327 3.8766 3.8867 4.2224 4.2320 4.4247 4.4257 7.7466 7.7472 8.4812 8.4816 8.6798 8.6804 9.9748 9.9756 k = 0.1667 0.1190 0.8605 ( 5692 PWs) bands (ev): -7.7407 -7.7406 -7.7105 -7.7101 -7.5652 -7.5652 -7.4331 -7.4327 -1.7420 -1.7112 -1.6930 -1.6908 -1.4555 -1.4008 -1.3730 -1.3491 -1.3283 -1.3120 -0.8008 -0.7984 -0.5882 -0.5707 -0.2693 -0.2621 1.0119 1.0152 2.1580 2.1717 2.5862 2.6304 2.9408 2.9411 3.2714 3.2938 3.5996 3.6366 3.8389 3.8547 4.2190 4.2292 4.4145 4.4158 7.8128 7.8138 8.5108 8.5124 8.6330 8.6344 9.9769 9.9774 k = 0.1833 0.1309 0.8605 ( 5696 PWs) bands (ev): -7.7405 -7.7404 -7.7104 -7.7100 -7.5654 -7.5654 -7.4331 -7.4327 -1.7427 -1.7103 -1.6933 -1.6911 -1.4578 -1.3999 -1.3743 -1.3482 -1.3299 -1.3123 -0.7750 -0.7732 -0.5826 -0.5639 -0.3070 -0.2993 0.9872 0.9904 2.2188 2.2355 2.6440 2.6920 2.8930 2.8963 3.2486 3.2796 3.5962 3.6419 3.8026 3.8262 4.2162 4.2269 4.4058 4.4074 7.8796 7.8812 8.5307 8.5369 8.5859 8.5916 9.9776 9.9777 k = 0.2000 0.1428 0.8605 ( 5696 PWs) bands (ev): -7.7403 -7.7403 -7.7104 -7.7100 -7.5656 -7.5656 -7.4332 -7.4328 -1.7432 -1.7095 -1.6935 -1.6913 -1.4598 -1.3991 -1.3753 -1.3474 -1.3312 -1.3126 -0.7505 -0.7495 -0.5779 -0.5580 -0.3411 -0.3329 0.9674 0.9704 2.2765 2.2969 2.6939 2.7367 2.8471 2.8636 3.2223 3.2643 3.5928 3.6491 3.7691 3.8028 4.2139 4.2251 4.3989 4.4007 7.9442 7.9466 8.5116 8.5209 8.5739 8.5820 9.9767 9.9773 k = 0.2167 0.1547 0.8605 ( 5694 PWs) bands (ev): -7.7402 -7.7402 -7.7104 -7.7099 -7.5657 -7.5657 -7.4333 -7.4328 -1.7436 -1.7090 -1.6936 -1.6915 -1.4611 -1.3985 -1.3761 -1.3467 -1.3323 -1.3129 -0.7295 -0.7293 -0.5744 -0.5535 -0.3691 -0.3605 0.9529 0.9558 2.3268 2.3519 2.7297 2.7410 2.8101 2.8666 3.1947 3.2498 3.5899 3.6585 3.7397 3.7854 4.2123 4.2238 4.3938 4.3959 8.0020 8.0055 8.4673 8.4752 8.5890 8.5948 9.9754 9.9763 k = 0.2333 0.1666 0.8605 ( 5686 PWs) bands (ev): -7.7401 -7.7401 -7.7104 -7.7099 -7.5658 -7.5658 -7.4333 -7.4328 -1.7438 -1.7087 -1.6937 -1.6916 -1.4620 -1.3981 -1.3766 -1.3463 -1.3330 -1.3130 -0.7154 -0.7148 -0.5723 -0.5505 -0.3879 -0.3792 0.9441 0.9468 2.3632 2.3932 2.7193 2.7393 2.7962 2.8914 3.1714 3.2390 3.5880 3.6699 3.7157 3.7749 4.2114 4.2230 4.3907 4.3929 8.0451 8.0497 8.4299 8.4382 8.5999 8.6050 9.9742 9.9754 k = 0.2500 0.1785 0.8605 ( 5676 PWs) bands (ev): -7.7401 -7.7401 -7.7103 -7.7099 -7.5658 -7.5658 -7.4333 -7.4329 -1.7439 -1.7086 -1.6937 -1.6916 -1.4623 -1.3979 -1.3768 -1.3461 -1.3332 -1.3130 -0.7103 -0.7095 -0.5716 -0.5494 -0.3947 -0.3858 0.9411 0.9438 2.3768 2.4094 2.7079 2.7355 2.7976 2.9034 3.1618 3.2349 3.5873 3.6780 3.7034 3.7714 4.2110 4.2227 4.3897 4.3920 8.0617 8.0669 8.4148 8.4235 8.6037 8.6086 9.9737 9.9750 Writing output data file Al2ZnSe4.save init_run : 3.72s CPU 11.75s WALL ( 1 calls) electrons : 925.47s CPU 937.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 925.37s CPU 937.12s WALL ( 1 calls) v_of_rho : 0.28s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.25s CPU 0.63s WALL ( 1 calls) newd : 0.44s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 282 calls) cegterg : 875.71s CPU 884.52s WALL ( 809 calls) Called by sum_band: Called by *egterg: h_psi : 513.72s CPU 525.55s WALL ( 14465 calls) s_psi : 26.74s CPU 26.96s WALL ( 14465 calls) g_psi : 0.88s CPU 0.85s WALL ( 13374 calls) cdiaghg : 248.91s CPU 246.30s WALL ( 13656 calls) cegterg:over : 58.42s CPU 56.40s WALL ( 13374 calls) cegterg:upda : 13.85s CPU 17.94s WALL ( 13374 calls) cegterg:last : 11.39s CPU 12.12s WALL ( 1928 calls) Called by h_psi: h_psi:vloc : 454.31s CPU 464.63s WALL ( 14465 calls) h_psi:vnl : 59.00s CPU 60.01s WALL ( 14465 calls) add_vuspsi : 19.86s CPU 23.33s WALL ( 14465 calls) General routines calbec : 39.07s CPU 36.50s WALL ( 14465 calls) fft : 0.51s CPU 1.47s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 429.66s CPU 436.57s WALL ( 1095016 calls) interpolate : 0.02s CPU 0.04s WALL ( 4 calls) davcio : 0.04s CPU 1.28s WALL ( 564 calls) Parallel routines fft_scatter : 239.72s CPU 242.42s WALL ( 1095039 calls) PWSCF : 16m24.64s CPU 18m46.91s WALL This run was terminated on: 22: 5:39 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=