Program PWSCF v.5.1.1 starts on 21Jul2015 at 3:46:25 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: ./TlF.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 25 16 4 581 286 45 Max 26 17 5 585 300 50 Sum 1221 771 231 27987 14029 2315 bravais-lattice index = 14 lattice parameter (alat) = 7.7587 a.u. unit-cell volume = 293.6973 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.758729 celldm(2)= 0.974615 celldm(3)= 0.921455 celldm(4)= 0.444820 celldm(5)= 0.487927 celldm(6)= 0.564733 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.550397 0.804324 0.000000 ) a(3) = ( 0.449603 0.188999 0.781803 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.684298 -0.409657 ) b(2) = ( 0.000000 1.243281 -0.300560 ) b(3) = ( 0.000000 0.000000 1.279095 ) PseudoPot. # 1 for Tl read from file: /home/autes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) F 7.00 18.99840 F( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 527 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 k( 2) = ( 0.0086207 -0.0058991 0.0074952), wk = 0.0018975 k( 3) = ( 0.0172414 -0.0117982 0.0149903), wk = 0.0018975 k( 4) = ( 0.0258621 -0.0176974 0.0224855), wk = 0.0018975 k( 5) = ( 0.0344828 -0.0235965 0.0299806), wk = 0.0018975 k( 6) = ( 0.0431035 -0.0294956 0.0374758), wk = 0.0018975 k( 7) = ( 0.0517241 -0.0353947 0.0449709), wk = 0.0018975 k( 8) = ( 0.0603448 -0.0412939 0.0524661), wk = 0.0018975 k( 9) = ( 0.0689655 -0.0471930 0.0599612), wk = 0.0018975 k( 10) = ( 0.0775862 -0.0530921 0.0674564), wk = 0.0018975 k( 11) = ( 0.0862069 -0.0589912 0.0749515), wk = 0.0018975 k( 12) = ( 0.0948276 -0.0648904 0.0824467), wk = 0.0018975 k( 13) = ( 0.1034483 -0.0707895 0.0899418), wk = 0.0018975 k( 14) = ( 0.1120690 -0.0766886 0.0974370), wk = 0.0018975 k( 15) = ( 0.1206897 -0.0825877 0.1049321), wk = 0.0018975 k( 16) = ( 0.1293103 -0.0884868 0.1124273), wk = 0.0018975 k( 17) = ( 0.1379310 -0.0943860 0.1199224), wk = 0.0018975 k( 18) = ( 0.1465517 -0.1002851 0.1274176), wk = 0.0018975 k( 19) = ( 0.1551724 -0.1061842 0.1349127), wk = 0.0018975 k( 20) = ( 0.1637931 -0.1120833 0.1424079), wk = 0.0018975 k( 21) = ( 0.1724138 -0.1179825 0.1499030), wk = 0.0018975 k( 22) = ( 0.1810345 -0.1238816 0.1573982), wk = 0.0018975 k( 23) = ( 0.1896552 -0.1297807 0.1648933), wk = 0.0018975 k( 24) = ( 0.1982759 -0.1356798 0.1723885), wk = 0.0018975 k( 25) = ( 0.2068966 -0.1415789 0.1798836), wk = 0.0018975 k( 26) = ( 0.2155172 -0.1474781 0.1873788), wk = 0.0018975 k( 27) = ( 0.2241379 -0.1533772 0.1948740), wk = 0.0018975 k( 28) = ( 0.2327586 -0.1592763 0.2023691), wk = 0.0018975 k( 29) = ( 0.2413793 -0.1651754 0.2098643), wk = 0.0018975 k( 30) = ( 0.2500000 -0.1710746 0.2173594), wk = 0.0018975 k( 31) = ( 0.2586207 -0.1769737 0.2248546), wk = 0.0018975 k( 32) = ( 0.2672414 -0.1828728 0.2323497), wk = 0.0018975 k( 33) = ( 0.2758621 -0.1887719 0.2398449), wk = 0.0018975 k( 34) = ( 0.2844828 -0.1946711 0.2473400), wk = 0.0018975 k( 35) = ( 0.2931034 -0.2005702 0.2548352), wk = 0.0018975 k( 36) = ( 0.3017241 -0.2064693 0.2623303), wk = 0.0018975 k( 37) = ( 0.3103448 -0.2123684 0.2698255), wk = 0.0018975 k( 38) = ( 0.3189655 -0.2182675 0.2773206), wk = 0.0018975 k( 39) = ( 0.3275862 -0.2241667 0.2848158), wk = 0.0018975 k( 40) = ( 0.3362069 -0.2300658 0.2923109), wk = 0.0018975 k( 41) = ( 0.3448276 -0.2359649 0.2998061), wk = 0.0018975 k( 42) = ( 0.3534483 -0.2418640 0.3073012), wk = 0.0018975 k( 43) = ( 0.3620690 -0.2477632 0.3147964), wk = 0.0018975 k( 44) = ( 0.3706897 -0.2536623 0.3222915), wk = 0.0018975 k( 45) = ( 0.3793103 -0.2595614 0.3297867), wk = 0.0018975 k( 46) = ( 0.3879310 -0.2654605 0.3372818), wk = 0.0018975 k( 47) = ( 0.3965517 -0.2713596 0.3447770), wk = 0.0018975 k( 48) = ( 0.4051724 -0.2772588 0.3522721), wk = 0.0018975 k( 49) = ( 0.4137931 -0.2831579 0.3597673), wk = 0.0018975 k( 50) = ( 0.4224138 -0.2890570 0.3672624), wk = 0.0018975 k( 51) = ( 0.4310345 -0.2949561 0.3747576), wk = 0.0018975 k( 52) = ( 0.4396552 -0.3008553 0.3822528), wk = 0.0018975 k( 53) = ( 0.4482759 -0.3067544 0.3897479), wk = 0.0018975 k( 54) = ( 0.4568966 -0.3126535 0.3972431), wk = 0.0018975 k( 55) = ( 0.4655172 -0.3185526 0.4047382), wk = 0.0018975 k( 56) = ( 0.4741379 -0.3244518 0.4122334), wk = 0.0018975 k( 57) = ( 0.4827586 -0.3303509 0.4197285), wk = 0.0018975 k( 58) = ( 0.4913793 -0.3362500 0.4272237), wk = 0.0018975 k( 59) = ( 0.5000000 -0.3421491 0.4347188), wk = 0.0018975 k( 60) = ( 0.5000000 -0.3421491 0.4347188), wk = 0.0018975 k( 61) = ( 0.5000000 -0.3321397 0.4425968), wk = 0.0018975 k( 62) = ( 0.5000000 -0.3221302 0.4504749), wk = 0.0018975 k( 63) = ( 0.5000000 -0.3121208 0.4583529), wk = 0.0018975 k( 64) = ( 0.5000000 -0.3021114 0.4662309), wk = 0.0018975 k( 65) = ( 0.5000000 -0.2921019 0.4741089), wk = 0.0018975 k( 66) = ( 0.5000000 -0.2820925 0.4819869), wk = 0.0018975 k( 67) = ( 0.5000000 -0.2720830 0.4898649), wk = 0.0018975 k( 68) = ( 0.5000000 -0.2620736 0.4977430), wk = 0.0018975 k( 69) = ( 0.5000000 -0.2520641 0.5056210), wk = 0.0018975 k( 70) = ( 0.5000000 -0.2420547 0.5134990), wk = 0.0018975 k( 71) = ( 0.5000000 -0.2320452 0.5213770), wk = 0.0018975 k( 72) = ( 0.5000000 -0.2220358 0.5292550), wk = 0.0018975 k( 73) = ( 0.5000000 -0.2120264 0.5371331), wk = 0.0018975 k( 74) = ( 0.5000000 -0.2020169 0.5450111), wk = 0.0018975 k( 75) = ( 0.5000000 -0.1920075 0.5528891), wk = 0.0018975 k( 76) = ( 0.5000000 -0.1819980 0.5607671), wk = 0.0018975 k( 77) = ( 0.5000000 -0.1719886 0.5686451), wk = 0.0018975 k( 78) = ( 0.5000000 -0.1619791 0.5765231), wk = 0.0018975 k( 79) = ( 0.5000000 -0.1519697 0.5844012), wk = 0.0018975 k( 80) = ( 0.5000000 -0.1419602 0.5922792), wk = 0.0018975 k( 81) = ( 0.5000000 -0.1319508 0.6001572), wk = 0.0018975 k( 82) = ( 0.5000000 -0.1219414 0.6080352), wk = 0.0018975 k( 83) = ( 0.5000000 -0.1119319 0.6159132), wk = 0.0018975 k( 84) = ( 0.5000000 -0.1019225 0.6237912), wk = 0.0018975 k( 85) = ( 0.5000000 -0.0919130 0.6316693), wk = 0.0018975 k( 86) = ( 0.5000000 -0.0819036 0.6395473), wk = 0.0018975 k( 87) = ( 0.5000000 -0.0819036 0.6395473), wk = 0.0018975 k( 88) = ( 0.4937086 -0.0706485 0.6395473), wk = 0.0018975 k( 89) = ( 0.4874172 -0.0593934 0.6395473), wk = 0.0018975 k( 90) = ( 0.4811258 -0.0481383 0.6395473), wk = 0.0018975 k( 91) = ( 0.4748344 -0.0368832 0.6395473), wk = 0.0018975 k( 92) = ( 0.4685430 -0.0256281 0.6395473), wk = 0.0018975 k( 93) = ( 0.4622516 -0.0143730 0.6395473), wk = 0.0018975 k( 94) = ( 0.4559602 -0.0031180 0.6395473), wk = 0.0018975 k( 95) = ( 0.4496688 0.0081371 0.6395473), wk = 0.0018975 k( 96) = ( 0.4433774 0.0193922 0.6395473), wk = 0.0018975 k( 97) = ( 0.4370860 0.0306473 0.6395473), wk = 0.0018975 k( 98) = ( 0.4307946 0.0419024 0.6395473), wk = 0.0018975 k( 99) = ( 0.4245032 0.0531575 0.6395473), wk = 0.0018975 k( 100) = ( 0.4182118 0.0644126 0.6395473), wk = 0.0018975 k( 101) = ( 0.4119204 0.0756677 0.6395473), wk = 0.0018975 k( 102) = ( 0.4056291 0.0869228 0.6395473), wk = 0.0018975 k( 103) = ( 0.3993377 0.0981779 0.6395473), wk = 0.0018975 k( 104) = ( 0.3930463 0.1094330 0.6395473), wk = 0.0018975 k( 105) = ( 0.3867549 0.1206880 0.6395473), wk = 0.0018975 k( 106) = ( 0.3804635 0.1319431 0.6395473), wk = 0.0018975 k( 107) = ( 0.3741721 0.1431982 0.6395473), wk = 0.0018975 k( 108) = ( 0.3678807 0.1544533 0.6395473), wk = 0.0018975 k( 109) = ( 0.3615893 0.1657084 0.6395473), wk = 0.0018975 k( 110) = ( 0.3552979 0.1769635 0.6395473), wk = 0.0018975 k( 111) = ( 0.3490065 0.1882186 0.6395473), wk = 0.0018975 k( 112) = ( 0.3427151 0.1994737 0.6395473), wk = 0.0018975 k( 113) = ( 0.3364237 0.2107288 0.6395473), wk = 0.0018975 k( 114) = ( 0.3301323 0.2219839 0.6395473), wk = 0.0018975 k( 115) = ( 0.3238409 0.2332389 0.6395473), wk = 0.0018975 k( 116) = ( 0.3175495 0.2444940 0.6395473), wk = 0.0018975 k( 117) = ( 0.3112581 0.2557491 0.6395473), wk = 0.0018975 k( 118) = ( 0.3049667 0.2670042 0.6395473), wk = 0.0018975 k( 119) = ( 0.2986753 0.2782593 0.6395473), wk = 0.0018975 k( 120) = ( 0.2923839 0.2895144 0.6395473), wk = 0.0018975 k( 121) = ( 0.2860925 0.3007695 0.6395473), wk = 0.0018975 k( 122) = ( 0.2798011 0.3120246 0.6395473), wk = 0.0018975 k( 123) = ( 0.2735097 0.3232797 0.6395473), wk = 0.0018975 k( 124) = ( 0.2672183 0.3345348 0.6395473), wk = 0.0018975 k( 125) = ( 0.2609269 0.3457898 0.6395473), wk = 0.0018975 k( 126) = ( 0.2546355 0.3570449 0.6395473), wk = 0.0018975 k( 127) = ( 0.2483442 0.3683000 0.6395473), wk = 0.0018975 k( 128) = ( 0.2420528 0.3795551 0.6395473), wk = 0.0018975 k( 129) = ( 0.2357614 0.3908102 0.6395473), wk = 0.0018975 k( 130) = ( 0.2294700 0.4020653 0.6395473), wk = 0.0018975 k( 131) = ( 0.2231786 0.4133204 0.6395473), wk = 0.0018975 k( 132) = ( 0.2168872 0.4245755 0.6395473), wk = 0.0018975 k( 133) = ( 0.2105958 0.4358306 0.6395473), wk = 0.0018975 k( 134) = ( 0.2043044 0.4470857 0.6395473), wk = 0.0018975 k( 135) = ( 0.1980130 0.4583407 0.6395473), wk = 0.0018975 k( 136) = ( 0.1917216 0.4695958 0.6395473), wk = 0.0018975 k( 137) = ( 0.1854302 0.4808509 0.6395473), wk = 0.0018975 k( 138) = ( 0.1791388 0.4921060 0.6395473), wk = 0.0018975 k( 139) = ( 0.1728474 0.5033611 0.6395473), wk = 0.0018975 k( 140) = ( 0.1728474 0.5033611 0.6395473), wk = 0.0018975 k( 141) = ( 0.1642050 0.5092751 0.6320333), wk = 0.0018975 k( 142) = ( 0.1555627 0.5151890 0.6245193), wk = 0.0018975 k( 143) = ( 0.1469203 0.5211030 0.6170053), wk = 0.0018975 k( 144) = ( 0.1382779 0.5270169 0.6094913), wk = 0.0018975 k( 145) = ( 0.1296355 0.5329309 0.6019773), wk = 0.0018975 k( 146) = ( 0.1209932 0.5388449 0.5944633), wk = 0.0018975 k( 147) = ( 0.1123508 0.5447588 0.5869493), wk = 0.0018975 k( 148) = ( 0.1037084 0.5506728 0.5794353), wk = 0.0018975 k( 149) = ( 0.0950661 0.5565867 0.5719213), wk = 0.0018975 k( 150) = ( 0.0864237 0.5625007 0.5644073), wk = 0.0018975 k( 151) = ( 0.0777813 0.5684146 0.5568933), wk = 0.0018975 k( 152) = ( 0.0691390 0.5743286 0.5493793), wk = 0.0018975 k( 153) = ( 0.0604966 0.5802426 0.5418653), wk = 0.0018975 k( 154) = ( 0.0518542 0.5861565 0.5343513), wk = 0.0018975 k( 155) = ( 0.0432119 0.5920705 0.5268373), wk = 0.0018975 k( 156) = ( 0.0345695 0.5979844 0.5193232), wk = 0.0018975 k( 157) = ( 0.0259271 0.6038984 0.5118092), wk = 0.0018975 k( 158) = ( 0.0172847 0.6098124 0.5042952), wk = 0.0018975 k( 159) = ( 0.0086424 0.6157263 0.4967812), wk = 0.0018975 k( 160) = ( 0.0000000 0.6216403 0.4892672), wk = 0.0018975 k( 161) = ( 0.0000000 0.6216403 0.4892672), wk = 0.0018975 k( 162) = ( 0.0000000 0.6114495 0.4812465), wk = 0.0018975 k( 163) = ( 0.0000000 0.6012586 0.4732257), wk = 0.0018975 k( 164) = ( 0.0000000 0.5910678 0.4652049), wk = 0.0018975 k( 165) = ( 0.0000000 0.5808770 0.4571841), wk = 0.0018975 k( 166) = ( 0.0000000 0.5706862 0.4491634), wk = 0.0018975 k( 167) = ( 0.0000000 0.5604953 0.4411426), wk = 0.0018975 k( 168) = ( 0.0000000 0.5503045 0.4331218), wk = 0.0018975 k( 169) = ( 0.0000000 0.5401137 0.4251010), wk = 0.0018975 k( 170) = ( 0.0000000 0.5299229 0.4170803), wk = 0.0018975 k( 171) = ( 0.0000000 0.5197320 0.4090595), wk = 0.0018975 k( 172) = ( 0.0000000 0.5095412 0.4010387), wk = 0.0018975 k( 173) = ( 0.0000000 0.4993504 0.3930179), wk = 0.0018975 k( 174) = ( 0.0000000 0.4891596 0.3849972), wk = 0.0018975 k( 175) = ( 0.0000000 0.4789687 0.3769764), wk = 0.0018975 k( 176) = ( 0.0000000 0.4687779 0.3689556), wk = 0.0018975 k( 177) = ( 0.0000000 0.4585871 0.3609349), wk = 0.0018975 k( 178) = ( 0.0000000 0.4483963 0.3529141), wk = 0.0018975 k( 179) = ( 0.0000000 0.4382054 0.3448933), wk = 0.0018975 k( 180) = ( 0.0000000 0.4280146 0.3368725), wk = 0.0018975 k( 181) = ( 0.0000000 0.4178238 0.3288517), wk = 0.0018975 k( 182) = ( 0.0000000 0.4076330 0.3208310), wk = 0.0018975 k( 183) = ( 0.0000000 0.3974421 0.3128102), wk = 0.0018975 k( 184) = ( 0.0000000 0.3872513 0.3047894), wk = 0.0018975 k( 185) = ( 0.0000000 0.3770605 0.2967687), wk = 0.0018975 k( 186) = ( 0.0000000 0.3668697 0.2887479), wk = 0.0018975 k( 187) = ( 0.0000000 0.3566789 0.2807271), wk = 0.0018975 k( 188) = ( 0.0000000 0.3464880 0.2727063), wk = 0.0018975 k( 189) = ( 0.0000000 0.3362972 0.2646856), wk = 0.0018975 k( 190) = ( 0.0000000 0.3261064 0.2566648), wk = 0.0018975 k( 191) = ( 0.0000000 0.3159155 0.2486440), wk = 0.0018975 k( 192) = ( 0.0000000 0.3057247 0.2406232), wk = 0.0018975 k( 193) = ( 0.0000000 0.2955339 0.2326025), wk = 0.0018975 k( 194) = ( 0.0000000 0.2853431 0.2245817), wk = 0.0018975 k( 195) = ( 0.0000000 0.2751523 0.2165609), wk = 0.0018975 k( 196) = ( 0.0000000 0.2649614 0.2085401), wk = 0.0018975 k( 197) = ( 0.0000000 0.2547706 0.2005194), wk = 0.0018975 k( 198) = ( 0.0000000 0.2445798 0.1924986), wk = 0.0018975 k( 199) = ( 0.0000000 0.2343890 0.1844778), wk = 0.0018975 k( 200) = ( 0.0000000 0.2241981 0.1764570), wk = 0.0018975 k( 201) = ( 0.0000000 0.2140073 0.1684363), wk = 0.0018975 k( 202) = ( 0.0000000 0.2038165 0.1604155), wk = 0.0018975 k( 203) = ( 0.0000000 0.1936257 0.1523947), wk = 0.0018975 k( 204) = ( 0.0000000 0.1834348 0.1443739), wk = 0.0018975 k( 205) = ( 0.0000000 0.1732440 0.1363532), wk = 0.0018975 k( 206) = ( 0.0000000 0.1630532 0.1283324), wk = 0.0018975 k( 207) = ( 0.0000000 0.1528624 0.1203116), wk = 0.0018975 k( 208) = ( 0.0000000 0.1426715 0.1122908), wk = 0.0018975 k( 209) = ( 0.0000000 0.1324807 0.1042701), wk = 0.0018975 k( 210) = ( 0.0000000 0.1222899 0.0962493), wk = 0.0018975 k( 211) = ( 0.0000000 0.1120991 0.0882285), wk = 0.0018975 k( 212) = ( 0.0000000 0.1019082 0.0802077), wk = 0.0018975 k( 213) = ( 0.0000000 0.0917174 0.0721870), wk = 0.0018975 k( 214) = ( 0.0000000 0.0815266 0.0641662), wk = 0.0018975 k( 215) = ( 0.0000000 0.0713358 0.0561454), wk = 0.0018975 k( 216) = ( 0.0000000 0.0611449 0.0481246), wk = 0.0018975 k( 217) = ( 0.0000000 0.0509541 0.0401039), wk = 0.0018975 k( 218) = ( 0.0000000 0.0407633 0.0320831), wk = 0.0018975 k( 219) = ( 0.0000000 0.0305725 0.0240623), wk = 0.0018975 k( 220) = ( 0.0000000 0.0203816 0.0160415), wk = 0.0018975 k( 221) = ( 0.0000000 0.0101908 0.0080208), wk = 0.0018975 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 k( 224) = ( 0.0096154 0.0053748 -0.0068290), wk = 0.0018975 k( 225) = ( 0.0192308 0.0107497 -0.0136580), wk = 0.0018975 k( 226) = ( 0.0288462 0.0161245 -0.0204870), wk = 0.0018975 k( 227) = ( 0.0384615 0.0214993 -0.0273160), wk = 0.0018975 k( 228) = ( 0.0480769 0.0268741 -0.0341450), wk = 0.0018975 k( 229) = ( 0.0576923 0.0322490 -0.0409741), wk = 0.0018975 k( 230) = ( 0.0673077 0.0376238 -0.0478031), wk = 0.0018975 k( 231) = ( 0.0769231 0.0429986 -0.0546321), wk = 0.0018975 k( 232) = ( 0.0865385 0.0483735 -0.0614611), wk = 0.0018975 k( 233) = ( 0.0961538 0.0537483 -0.0682901), wk = 0.0018975 k( 234) = ( 0.1057692 0.0591231 -0.0751191), wk = 0.0018975 k( 235) = ( 0.1153846 0.0644980 -0.0819481), wk = 0.0018975 k( 236) = ( 0.1250000 0.0698728 -0.0887771), wk = 0.0018975 k( 237) = ( 0.1346154 0.0752476 -0.0956061), wk = 0.0018975 k( 238) = ( 0.1442308 0.0806224 -0.1024351), wk = 0.0018975 k( 239) = ( 0.1538461 0.0859973 -0.1092642), wk = 0.0018975 k( 240) = ( 0.1634615 0.0913721 -0.1160932), wk = 0.0018975 k( 241) = ( 0.1730769 0.0967469 -0.1229222), wk = 0.0018975 k( 242) = ( 0.1826923 0.1021218 -0.1297512), wk = 0.0018975 k( 243) = ( 0.1923077 0.1074966 -0.1365802), wk = 0.0018975 k( 244) = ( 0.2019231 0.1128714 -0.1434092), wk = 0.0018975 k( 245) = ( 0.2115385 0.1182463 -0.1502382), wk = 0.0018975 k( 246) = ( 0.2211539 0.1236211 -0.1570672), wk = 0.0018975 k( 247) = ( 0.2307692 0.1289959 -0.1638962), wk = 0.0018975 k( 248) = ( 0.2403846 0.1343707 -0.1707252), wk = 0.0018975 k( 249) = ( 0.2500000 0.1397456 -0.1775542), wk = 0.0018975 k( 250) = ( 0.2596154 0.1451204 -0.1843833), wk = 0.0018975 k( 251) = ( 0.2692308 0.1504952 -0.1912123), wk = 0.0018975 k( 252) = ( 0.2788462 0.1558701 -0.1980413), wk = 0.0018975 k( 253) = ( 0.2884615 0.1612449 -0.2048703), wk = 0.0018975 k( 254) = ( 0.2980769 0.1666197 -0.2116993), wk = 0.0018975 k( 255) = ( 0.3076923 0.1719946 -0.2185283), wk = 0.0018975 k( 256) = ( 0.3173077 0.1773694 -0.2253573), wk = 0.0018975 k( 257) = ( 0.3269231 0.1827442 -0.2321863), wk = 0.0018975 k( 258) = ( 0.3365385 0.1881190 -0.2390153), wk = 0.0018975 k( 259) = ( 0.3461538 0.1934939 -0.2458443), wk = 0.0018975 k( 260) = ( 0.3557692 0.1988687 -0.2526734), wk = 0.0018975 k( 261) = ( 0.3653846 0.2042435 -0.2595024), wk = 0.0018975 k( 262) = ( 0.3750000 0.2096184 -0.2663314), wk = 0.0018975 k( 263) = ( 0.3846154 0.2149932 -0.2731604), wk = 0.0018975 k( 264) = ( 0.3942308 0.2203680 -0.2799894), wk = 0.0018975 k( 265) = ( 0.4038462 0.2257428 -0.2868184), wk = 0.0018975 k( 266) = ( 0.4134615 0.2311177 -0.2936474), wk = 0.0018975 k( 267) = ( 0.4230769 0.2364925 -0.3004764), wk = 0.0018975 k( 268) = ( 0.4326923 0.2418673 -0.3073054), wk = 0.0018975 k( 269) = ( 0.4423077 0.2472422 -0.3141344), wk = 0.0018975 k( 270) = ( 0.4519231 0.2526170 -0.3209635), wk = 0.0018975 k( 271) = ( 0.4615385 0.2579918 -0.3277925), wk = 0.0018975 k( 272) = ( 0.4711538 0.2633667 -0.3346215), wk = 0.0018975 k( 273) = ( 0.4807692 0.2687415 -0.3414505), wk = 0.0018975 k( 274) = ( 0.4903846 0.2741163 -0.3482795), wk = 0.0018975 k( 275) = ( 0.5000000 0.2794911 -0.3551085), wk = 0.0018975 k( 276) = ( 0.5000000 0.2794911 -0.3551085), wk = 0.0018975 k( 277) = ( 0.5086093 0.2735998 -0.3476233), wk = 0.0018975 k( 278) = ( 0.5172186 0.2677085 -0.3401380), wk = 0.0018975 k( 279) = ( 0.5258278 0.2618172 -0.3326528), wk = 0.0018975 k( 280) = ( 0.5344371 0.2559259 -0.3251676), wk = 0.0018975 k( 281) = ( 0.5430464 0.2500346 -0.3176823), wk = 0.0018975 k( 282) = ( 0.5516557 0.2441433 -0.3101971), wk = 0.0018975 k( 283) = ( 0.5602649 0.2382519 -0.3027119), wk = 0.0018975 k( 284) = ( 0.5688742 0.2323606 -0.2952267), wk = 0.0018975 k( 285) = ( 0.5774835 0.2264693 -0.2877414), wk = 0.0018975 k( 286) = ( 0.5860928 0.2205780 -0.2802562), wk = 0.0018975 k( 287) = ( 0.5947021 0.2146867 -0.2727710), wk = 0.0018975 k( 288) = ( 0.6033114 0.2087954 -0.2652857), wk = 0.0018975 k( 289) = ( 0.6119206 0.2029041 -0.2578005), wk = 0.0018975 k( 290) = ( 0.6205299 0.1970127 -0.2503153), wk = 0.0018975 k( 291) = ( 0.6291392 0.1911214 -0.2428300), wk = 0.0018975 k( 292) = ( 0.6377485 0.1852301 -0.2353448), wk = 0.0018975 k( 293) = ( 0.6463577 0.1793388 -0.2278596), wk = 0.0018975 k( 294) = ( 0.6549670 0.1734475 -0.2203743), wk = 0.0018975 k( 295) = ( 0.6635763 0.1675562 -0.2128891), wk = 0.0018975 k( 296) = ( 0.6721856 0.1616649 -0.2054039), wk = 0.0018975 k( 297) = ( 0.6807949 0.1557735 -0.1979186), wk = 0.0018975 k( 298) = ( 0.6894041 0.1498822 -0.1904334), wk = 0.0018975 k( 299) = ( 0.6980134 0.1439909 -0.1829482), wk = 0.0018975 k( 300) = ( 0.7066227 0.1380996 -0.1754630), wk = 0.0018975 k( 301) = ( 0.7152320 0.1322083 -0.1679777), wk = 0.0018975 k( 302) = ( 0.7238412 0.1263170 -0.1604925), wk = 0.0018975 k( 303) = ( 0.7324505 0.1204257 -0.1530073), wk = 0.0018975 k( 304) = ( 0.7410598 0.1145343 -0.1455220), wk = 0.0018975 k( 305) = ( 0.7496691 0.1086430 -0.1380368), wk = 0.0018975 k( 306) = ( 0.7582784 0.1027517 -0.1305516), wk = 0.0018975 k( 307) = ( 0.7668877 0.0968604 -0.1230663), wk = 0.0018975 k( 308) = ( 0.7754969 0.0909691 -0.1155811), wk = 0.0018975 k( 309) = ( 0.7841062 0.0850778 -0.1080959), wk = 0.0018975 k( 310) = ( 0.7927155 0.0791865 -0.1006106), wk = 0.0018975 k( 311) = ( 0.8013248 0.0732951 -0.0931254), wk = 0.0018975 k( 312) = ( 0.8099340 0.0674038 -0.0856402), wk = 0.0018975 k( 313) = ( 0.8185433 0.0615125 -0.0781549), wk = 0.0018975 k( 314) = ( 0.8271526 0.0556212 -0.0706697), wk = 0.0018975 k( 315) = ( 0.8271526 0.0556212 -0.0706697), wk = 0.0018975 k( 316) = ( 0.8258609 0.0477359 -0.0606510), wk = 0.0018975 k( 317) = ( 0.8245693 0.0398506 -0.0506324), wk = 0.0018975 k( 318) = ( 0.8232776 0.0319654 -0.0406137), wk = 0.0018975 k( 319) = ( 0.8219859 0.0240801 -0.0305950), wk = 0.0018975 k( 320) = ( 0.8206943 0.0161948 -0.0205764), wk = 0.0018975 k( 321) = ( 0.8194026 0.0083095 -0.0105577), wk = 0.0018975 k( 322) = ( 0.8181109 0.0004242 -0.0005390), wk = 0.0018975 k( 323) = ( 0.8168193 -0.0074610 0.0094796), wk = 0.0018975 k( 324) = ( 0.8155276 -0.0153463 0.0194983), wk = 0.0018975 k( 325) = ( 0.8142360 -0.0232316 0.0295170), wk = 0.0018975 k( 326) = ( 0.8129443 -0.0311169 0.0395356), wk = 0.0018975 k( 327) = ( 0.8116526 -0.0390021 0.0495543), wk = 0.0018975 k( 328) = ( 0.8103609 -0.0468874 0.0595730), wk = 0.0018975 k( 329) = ( 0.8090693 -0.0547727 0.0695917), wk = 0.0018975 k( 330) = ( 0.8077776 -0.0626580 0.0796103), wk = 0.0018975 k( 331) = ( 0.8064860 -0.0705433 0.0896290), wk = 0.0018975 k( 332) = ( 0.8051943 -0.0784285 0.0996477), wk = 0.0018975 k( 333) = ( 0.8039026 -0.0863138 0.1096663), wk = 0.0018975 k( 334) = ( 0.8026110 -0.0941991 0.1196850), wk = 0.0018975 k( 335) = ( 0.8013193 -0.1020844 0.1297037), wk = 0.0018975 k( 336) = ( 0.8000276 -0.1099696 0.1397223), wk = 0.0018975 k( 337) = ( 0.7987360 -0.1178549 0.1497410), wk = 0.0018975 k( 338) = ( 0.7974443 -0.1257402 0.1597597), wk = 0.0018975 k( 339) = ( 0.7961526 -0.1336255 0.1697783), wk = 0.0018975 k( 340) = ( 0.7948610 -0.1415108 0.1797970), wk = 0.0018975 k( 341) = ( 0.7935693 -0.1493960 0.1898157), wk = 0.0018975 k( 342) = ( 0.7922776 -0.1572813 0.1998344), wk = 0.0018975 k( 343) = ( 0.7909860 -0.1651666 0.2098530), wk = 0.0018975 k( 344) = ( 0.7896943 -0.1730519 0.2198717), wk = 0.0018975 k( 345) = ( 0.7884026 -0.1809372 0.2298904), wk = 0.0018975 k( 346) = ( 0.7884026 -0.1809372 0.2298904), wk = 0.0018975 k( 347) = ( 0.7811926 -0.1784613 0.2401318), wk = 0.0018975 k( 348) = ( 0.7739825 -0.1759855 0.2503732), wk = 0.0018975 k( 349) = ( 0.7667725 -0.1735096 0.2606146), wk = 0.0018975 k( 350) = ( 0.7595624 -0.1710338 0.2708561), wk = 0.0018975 k( 351) = ( 0.7523523 -0.1685580 0.2810975), wk = 0.0018975 k( 352) = ( 0.7451423 -0.1660821 0.2913389), wk = 0.0018975 k( 353) = ( 0.7379322 -0.1636063 0.3015803), wk = 0.0018975 k( 354) = ( 0.7307221 -0.1611304 0.3118217), wk = 0.0018975 k( 355) = ( 0.7235120 -0.1586546 0.3220632), wk = 0.0018975 k( 356) = ( 0.7163020 -0.1561788 0.3323046), wk = 0.0018975 k( 357) = ( 0.7090919 -0.1537029 0.3425460), wk = 0.0018975 k( 358) = ( 0.7018819 -0.1512271 0.3527874), wk = 0.0018975 k( 359) = ( 0.6946718 -0.1487513 0.3630289), wk = 0.0018975 k( 360) = ( 0.6874617 -0.1462754 0.3732703), wk = 0.0018975 k( 361) = ( 0.6802516 -0.1437996 0.3835117), wk = 0.0018975 k( 362) = ( 0.6730416 -0.1413237 0.3937531), wk = 0.0018975 k( 363) = ( 0.6658315 -0.1388479 0.4039945), wk = 0.0018975 k( 364) = ( 0.6586215 -0.1363720 0.4142360), wk = 0.0018975 k( 365) = ( 0.6514114 -0.1338962 0.4244774), wk = 0.0018975 k( 366) = ( 0.6442013 -0.1314204 0.4347188), wk = 0.0018975 k( 367) = ( 0.6369913 -0.1289445 0.4449602), wk = 0.0018975 k( 368) = ( 0.6297812 -0.1264687 0.4552017), wk = 0.0018975 k( 369) = ( 0.6225711 -0.1239928 0.4654431), wk = 0.0018975 k( 370) = ( 0.6153611 -0.1215170 0.4756845), wk = 0.0018975 k( 371) = ( 0.6081510 -0.1190412 0.4859259), wk = 0.0018975 k( 372) = ( 0.6009409 -0.1165653 0.4961674), wk = 0.0018975 k( 373) = ( 0.5937309 -0.1140895 0.5064088), wk = 0.0018975 k( 374) = ( 0.5865208 -0.1116137 0.5166502), wk = 0.0018975 k( 375) = ( 0.5793107 -0.1091378 0.5268916), wk = 0.0018975 k( 376) = ( 0.5721007 -0.1066620 0.5371330), wk = 0.0018975 k( 377) = ( 0.5648906 -0.1041861 0.5473745), wk = 0.0018975 k( 378) = ( 0.5576805 -0.1017103 0.5576159), wk = 0.0018975 k( 379) = ( 0.5504705 -0.0992345 0.5678573), wk = 0.0018975 k( 380) = ( 0.5432604 -0.0967586 0.5780987), wk = 0.0018975 k( 381) = ( 0.5360503 -0.0942828 0.5883402), wk = 0.0018975 k( 382) = ( 0.5288403 -0.0918069 0.5985816), wk = 0.0018975 k( 383) = ( 0.5216302 -0.0893311 0.6088230), wk = 0.0018975 k( 384) = ( 0.5144201 -0.0868553 0.6190644), wk = 0.0018975 k( 385) = ( 0.5072101 -0.0843794 0.6293059), wk = 0.0018975 k( 386) = ( 0.5000000 -0.0819036 0.6395473), wk = 0.0018975 k( 387) = ( 0.5000000 0.6408859 -0.0706697), wk = 0.0018975 k( 388) = ( 0.5000000 0.6308471 -0.0785708), wk = 0.0018975 k( 389) = ( 0.5000000 0.6208084 -0.0864719), wk = 0.0018975 k( 390) = ( 0.5000000 0.6107697 -0.0943729), wk = 0.0018975 k( 391) = ( 0.5000000 0.6007309 -0.1022740), wk = 0.0018975 k( 392) = ( 0.5000000 0.5906922 -0.1101751), wk = 0.0018975 k( 393) = ( 0.5000000 0.5806534 -0.1180762), wk = 0.0018975 k( 394) = ( 0.5000000 0.5706147 -0.1259773), wk = 0.0018975 k( 395) = ( 0.5000000 0.5605759 -0.1338783), wk = 0.0018975 k( 396) = ( 0.5000000 0.5505372 -0.1417794), wk = 0.0018975 k( 397) = ( 0.5000000 0.5404985 -0.1496805), wk = 0.0018975 k( 398) = ( 0.5000000 0.5304597 -0.1575816), wk = 0.0018975 k( 399) = ( 0.5000000 0.5204210 -0.1654826), wk = 0.0018975 k( 400) = ( 0.5000000 0.5103822 -0.1733837), wk = 0.0018975 k( 401) = ( 0.5000000 0.5003435 -0.1812848), wk = 0.0018975 k( 402) = ( 0.5000000 0.4903047 -0.1891859), wk = 0.0018975 k( 403) = ( 0.5000000 0.4802660 -0.1970870), wk = 0.0018975 k( 404) = ( 0.5000000 0.4702273 -0.2049880), wk = 0.0018975 k( 405) = ( 0.5000000 0.4601885 -0.2128891), wk = 0.0018975 k( 406) = ( 0.5000000 0.4501498 -0.2207902), wk = 0.0018975 k( 407) = ( 0.5000000 0.4401110 -0.2286913), wk = 0.0018975 k( 408) = ( 0.5000000 0.4300723 -0.2365923), wk = 0.0018975 k( 409) = ( 0.5000000 0.4200335 -0.2444934), wk = 0.0018975 k( 410) = ( 0.5000000 0.4099948 -0.2523945), wk = 0.0018975 k( 411) = ( 0.5000000 0.3999561 -0.2602956), wk = 0.0018975 k( 412) = ( 0.5000000 0.3899173 -0.2681967), wk = 0.0018975 k( 413) = ( 0.5000000 0.3798786 -0.2760977), wk = 0.0018975 k( 414) = ( 0.5000000 0.3698398 -0.2839988), wk = 0.0018975 k( 415) = ( 0.5000000 0.3598011 -0.2918999), wk = 0.0018975 k( 416) = ( 0.5000000 0.3497623 -0.2998010), wk = 0.0018975 k( 417) = ( 0.5000000 0.3397236 -0.3077020), wk = 0.0018975 k( 418) = ( 0.5000000 0.3296849 -0.3156031), wk = 0.0018975 k( 419) = ( 0.5000000 0.3196461 -0.3235042), wk = 0.0018975 k( 420) = ( 0.5000000 0.3096074 -0.3314053), wk = 0.0018975 k( 421) = ( 0.5000000 0.2995686 -0.3393063), wk = 0.0018975 k( 422) = ( 0.5000000 0.2895299 -0.3472074), wk = 0.0018975 k( 423) = ( 0.5000000 0.2794911 -0.3551085), wk = 0.0018975 k( 424) = ( 0.0000000 0.6216403 0.4892672), wk = 0.0018975 k( 425) = ( 0.0096181 0.6270166 0.4824363), wk = 0.0018975 k( 426) = ( 0.0192361 0.6323929 0.4756054), wk = 0.0018975 k( 427) = ( 0.0288542 0.6377693 0.4687745), wk = 0.0018975 k( 428) = ( 0.0384722 0.6431456 0.4619436), wk = 0.0018975 k( 429) = ( 0.0480903 0.6485219 0.4551127), wk = 0.0018975 k( 430) = ( 0.0577084 0.6538982 0.4482818), wk = 0.0018975 k( 431) = ( 0.0673264 0.6592746 0.4414509), wk = 0.0018975 k( 432) = ( 0.0769445 0.6646509 0.4346200), wk = 0.0018975 k( 433) = ( 0.0865626 0.6700272 0.4277890), wk = 0.0018975 k( 434) = ( 0.0961806 0.6754035 0.4209581), wk = 0.0018975 k( 435) = ( 0.1057987 0.6807799 0.4141272), wk = 0.0018975 k( 436) = ( 0.1154167 0.6861562 0.4072963), wk = 0.0018975 k( 437) = ( 0.1250348 0.6915325 0.4004654), wk = 0.0018975 k( 438) = ( 0.1346529 0.6969088 0.3936345), wk = 0.0018975 k( 439) = ( 0.1442709 0.7022852 0.3868036), wk = 0.0018975 k( 440) = ( 0.1538890 0.7076615 0.3799727), wk = 0.0018975 k( 441) = ( 0.1635070 0.7130378 0.3731418), wk = 0.0018975 k( 442) = ( 0.1731251 0.7184141 0.3663108), wk = 0.0018975 k( 443) = ( 0.1827432 0.7237905 0.3594799), wk = 0.0018975 k( 444) = ( 0.1923612 0.7291668 0.3526490), wk = 0.0018975 k( 445) = ( 0.2019793 0.7345431 0.3458181), wk = 0.0018975 k( 446) = ( 0.2115973 0.7399195 0.3389872), wk = 0.0018975 k( 447) = ( 0.7884026 -0.1809372 0.2298904), wk = 0.0018975 k( 448) = ( 0.7787892 -0.1863109 0.2367180), wk = 0.0018975 k( 449) = ( 0.7691758 -0.1916846 0.2435456), wk = 0.0018975 k( 450) = ( 0.7595624 -0.1970584 0.2503732), wk = 0.0018975 k( 451) = ( 0.7499490 -0.2024321 0.2572008), wk = 0.0018975 k( 452) = ( 0.7403355 -0.2078058 0.2640284), wk = 0.0018975 k( 453) = ( 0.7307221 -0.2131795 0.2708560), wk = 0.0018975 k( 454) = ( 0.7211087 -0.2185533 0.2776837), wk = 0.0018975 k( 455) = ( 0.7114953 -0.2239270 0.2845113), wk = 0.0018975 k( 456) = ( 0.7018819 -0.2293007 0.2913389), wk = 0.0018975 k( 457) = ( 0.6922684 -0.2346745 0.2981665), wk = 0.0018975 k( 458) = ( 0.6826550 -0.2400482 0.3049941), wk = 0.0018975 k( 459) = ( 0.6730416 -0.2454219 0.3118217), wk = 0.0018975 k( 460) = ( 0.6634282 -0.2507957 0.3186494), wk = 0.0018975 k( 461) = ( 0.6538147 -0.2561694 0.3254770), wk = 0.0018975 k( 462) = ( 0.6442013 -0.2615431 0.3323046), wk = 0.0018975 k( 463) = ( 0.6345879 -0.2669169 0.3391322), wk = 0.0018975 k( 464) = ( 0.6249745 -0.2722906 0.3459598), wk = 0.0018975 k( 465) = ( 0.6153611 -0.2776643 0.3527874), wk = 0.0018975 k( 466) = ( 0.6057476 -0.2830381 0.3596150), wk = 0.0018975 k( 467) = ( 0.5961342 -0.2884118 0.3664427), wk = 0.0018975 k( 468) = ( 0.5865208 -0.2937855 0.3732703), wk = 0.0018975 k( 469) = ( 0.5769074 -0.2991593 0.3800979), wk = 0.0018975 k( 470) = ( 0.5672940 -0.3045330 0.3869255), wk = 0.0018975 k( 471) = ( 0.5576805 -0.3099067 0.3937531), wk = 0.0018975 k( 472) = ( 0.5480671 -0.3152805 0.4005807), wk = 0.0018975 k( 473) = ( 0.5384537 -0.3206542 0.4074084), wk = 0.0018975 k( 474) = ( 0.5288403 -0.3260279 0.4142360), wk = 0.0018975 k( 475) = ( 0.5192268 -0.3314017 0.4210636), wk = 0.0018975 k( 476) = ( 0.5096134 -0.3367754 0.4278912), wk = 0.0018975 k( 477) = ( 0.5000000 -0.3421491 0.4347188), wk = 0.0018975 k( 478) = ( 0.5000000 0.2794911 0.2844388), wk = 0.0018975 k( 479) = ( 0.4897959 0.2737872 0.2786339), wk = 0.0018975 k( 480) = ( 0.4795918 0.2680833 0.2728290), wk = 0.0018975 k( 481) = ( 0.4693878 0.2623794 0.2670242), wk = 0.0018975 k( 482) = ( 0.4591837 0.2566755 0.2612193), wk = 0.0018975 k( 483) = ( 0.4489796 0.2509716 0.2554144), wk = 0.0018975 k( 484) = ( 0.4387755 0.2452677 0.2496095), wk = 0.0018975 k( 485) = ( 0.4285714 0.2395638 0.2438047), wk = 0.0018975 k( 486) = ( 0.4183674 0.2338599 0.2379998), wk = 0.0018975 k( 487) = ( 0.4081633 0.2281560 0.2321949), wk = 0.0018975 k( 488) = ( 0.3979592 0.2224521 0.2263900), wk = 0.0018975 k( 489) = ( 0.3877551 0.2167482 0.2205852), wk = 0.0018975 k( 490) = ( 0.3775510 0.2110443 0.2147803), wk = 0.0018975 k( 491) = ( 0.3673469 0.2053404 0.2089754), wk = 0.0018975 k( 492) = ( 0.3571429 0.1996365 0.2031706), wk = 0.0018975 k( 493) = ( 0.3469388 0.1939326 0.1973657), wk = 0.0018975 k( 494) = ( 0.3367347 0.1882287 0.1915608), wk = 0.0018975 k( 495) = ( 0.3265306 0.1825248 0.1857559), wk = 0.0018975 k( 496) = ( 0.3163265 0.1768209 0.1799511), wk = 0.0018975 k( 497) = ( 0.3061224 0.1711170 0.1741462), wk = 0.0018975 k( 498) = ( 0.2959184 0.1654131 0.1683413), wk = 0.0018975 k( 499) = ( 0.2857143 0.1597092 0.1625364), wk = 0.0018975 k( 500) = ( 0.2755102 0.1540053 0.1567316), wk = 0.0018975 k( 501) = ( 0.2653061 0.1483014 0.1509267), wk = 0.0018975 k( 502) = ( 0.2551020 0.1425975 0.1451218), wk = 0.0018975 k( 503) = ( 0.2448980 0.1368936 0.1393170), wk = 0.0018975 k( 504) = ( 0.2346939 0.1311897 0.1335121), wk = 0.0018975 k( 505) = ( 0.2244898 0.1254858 0.1277072), wk = 0.0018975 k( 506) = ( 0.2142857 0.1197819 0.1219023), wk = 0.0018975 k( 507) = ( 0.2040816 0.1140780 0.1160975), wk = 0.0018975 k( 508) = ( 0.1938776 0.1083741 0.1102926), wk = 0.0018975 k( 509) = ( 0.1836735 0.1026702 0.1044877), wk = 0.0018975 k( 510) = ( 0.1734694 0.0969663 0.0986828), wk = 0.0018975 k( 511) = ( 0.1632653 0.0912624 0.0928780), wk = 0.0018975 k( 512) = ( 0.1530612 0.0855585 0.0870731), wk = 0.0018975 k( 513) = ( 0.1428571 0.0798546 0.0812682), wk = 0.0018975 k( 514) = ( 0.1326531 0.0741507 0.0754633), wk = 0.0018975 k( 515) = ( 0.1224490 0.0684468 0.0696585), wk = 0.0018975 k( 516) = ( 0.1122449 0.0627429 0.0638536), wk = 0.0018975 k( 517) = ( 0.1020408 0.0570390 0.0580487), wk = 0.0018975 k( 518) = ( 0.0918367 0.0513351 0.0522439), wk = 0.0018975 k( 519) = ( 0.0816327 0.0456312 0.0464390), wk = 0.0018975 k( 520) = ( 0.0714286 0.0399273 0.0406341), wk = 0.0018975 k( 521) = ( 0.0612245 0.0342234 0.0348292), wk = 0.0018975 k( 522) = ( 0.0510204 0.0285195 0.0290244), wk = 0.0018975 k( 523) = ( 0.0408163 0.0228156 0.0232195), wk = 0.0018975 k( 524) = ( 0.0306122 0.0171117 0.0174146), wk = 0.0018975 k( 525) = ( 0.0204082 0.0114078 0.0116097), wk = 0.0018975 k( 526) = ( 0.0102041 0.0057039 0.0058049), wk = 0.0018975 k( 527) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 k( 2) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0018975 k( 3) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0018975 k( 4) = ( 0.0258621 0.0000000 0.0258621), wk = 0.0018975 k( 5) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0018975 k( 6) = ( 0.0431035 0.0000000 0.0431035), wk = 0.0018975 k( 7) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0018975 k( 8) = ( 0.0603448 -0.0000000 0.0603448), wk = 0.0018975 k( 9) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0018975 k( 10) = ( 0.0775862 -0.0000000 0.0775862), wk = 0.0018975 k( 11) = ( 0.0862069 0.0000000 0.0862069), wk = 0.0018975 k( 12) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0018975 k( 13) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0018975 k( 14) = ( 0.1120690 -0.0000000 0.1120690), wk = 0.0018975 k( 15) = ( 0.1206897 -0.0000000 0.1206897), wk = 0.0018975 k( 16) = ( 0.1293103 0.0000000 0.1293103), wk = 0.0018975 k( 17) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0018975 k( 18) = ( 0.1465517 0.0000000 0.1465517), wk = 0.0018975 k( 19) = ( 0.1551724 -0.0000000 0.1551724), wk = 0.0018975 k( 20) = ( 0.1637931 0.0000000 0.1637931), wk = 0.0018975 k( 21) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0018975 k( 22) = ( 0.1810345 0.0000000 0.1810345), wk = 0.0018975 k( 23) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0018975 k( 24) = ( 0.1982759 0.0000000 0.1982759), wk = 0.0018975 k( 25) = ( 0.2068966 0.0000000 0.2068966), wk = 0.0018975 k( 26) = ( 0.2155172 0.0000000 0.2155172), wk = 0.0018975 k( 27) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0018975 k( 28) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0018975 k( 29) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0018975 k( 30) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0018975 k( 31) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0018975 k( 32) = ( 0.2672414 -0.0000000 0.2672414), wk = 0.0018975 k( 33) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0018975 k( 34) = ( 0.2844828 -0.0000000 0.2844828), wk = 0.0018975 k( 35) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0018975 k( 36) = ( 0.3017241 0.0000000 0.3017241), wk = 0.0018975 k( 37) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0018975 k( 38) = ( 0.3189655 0.0000000 0.3189655), wk = 0.0018975 k( 39) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0018975 k( 40) = ( 0.3362069 0.0000000 0.3362069), wk = 0.0018975 k( 41) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0018975 k( 42) = ( 0.3534483 -0.0000000 0.3534483), wk = 0.0018975 k( 43) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0018975 k( 44) = ( 0.3706897 0.0000000 0.3706897), wk = 0.0018975 k( 45) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0018975 k( 46) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0018975 k( 47) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0018975 k( 48) = ( 0.4051724 0.0000000 0.4051724), wk = 0.0018975 k( 49) = ( 0.4137931 0.0000000 0.4137931), wk = 0.0018975 k( 50) = ( 0.4224138 -0.0000000 0.4224138), wk = 0.0018975 k( 51) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0018975 k( 52) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0018975 k( 53) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0018975 k( 54) = ( 0.4568966 -0.0000000 0.4568966), wk = 0.0018975 k( 55) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0018975 k( 56) = ( 0.4741379 0.0000000 0.4741379), wk = 0.0018975 k( 57) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0018975 k( 58) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0018975 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018975 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018975 k( 61) = ( 0.5000000 0.0080508 0.5080508), wk = 0.0018975 k( 62) = ( 0.5000000 0.0161017 0.5161017), wk = 0.0018975 k( 63) = ( 0.5000000 0.0241525 0.5241525), wk = 0.0018975 k( 64) = ( 0.5000000 0.0322033 0.5322033), wk = 0.0018975 k( 65) = ( 0.5000000 0.0402542 0.5402542), wk = 0.0018975 k( 66) = ( 0.5000000 0.0483050 0.5483050), wk = 0.0018975 k( 67) = ( 0.5000000 0.0563558 0.5563558), wk = 0.0018975 k( 68) = ( 0.5000000 0.0644067 0.5644067), wk = 0.0018975 k( 69) = ( 0.5000000 0.0724575 0.5724575), wk = 0.0018975 k( 70) = ( 0.5000000 0.0805083 0.5805083), wk = 0.0018975 k( 71) = ( 0.5000000 0.0885592 0.5885592), wk = 0.0018975 k( 72) = ( 0.5000000 0.0966100 0.5966100), wk = 0.0018975 k( 73) = ( 0.5000000 0.1046608 0.6046608), wk = 0.0018975 k( 74) = ( 0.5000000 0.1127117 0.6127117), wk = 0.0018975 k( 75) = ( 0.5000000 0.1207625 0.6207625), wk = 0.0018975 k( 76) = ( 0.5000000 0.1288133 0.6288133), wk = 0.0018975 k( 77) = ( 0.5000000 0.1368642 0.6368642), wk = 0.0018975 k( 78) = ( 0.5000000 0.1449150 0.6449150), wk = 0.0018975 k( 79) = ( 0.5000000 0.1529658 0.6529658), wk = 0.0018975 k( 80) = ( 0.5000000 0.1610167 0.6610167), wk = 0.0018975 k( 81) = ( 0.5000000 0.1690675 0.6690675), wk = 0.0018975 k( 82) = ( 0.5000000 0.1771183 0.6771183), wk = 0.0018975 k( 83) = ( 0.5000000 0.1851692 0.6851692), wk = 0.0018975 k( 84) = ( 0.5000000 0.1932200 0.6932200), wk = 0.0018975 k( 85) = ( 0.5000000 0.2012708 0.7012708), wk = 0.0018975 k( 86) = ( 0.5000000 0.2093217 0.7093217), wk = 0.0018975 k( 87) = ( 0.5000000 0.2093217 0.7093217), wk = 0.0018975 k( 88) = ( 0.4937086 0.2149116 0.7086202), wk = 0.0018975 k( 89) = ( 0.4874172 0.2205016 0.7079188), wk = 0.0018975 k( 90) = ( 0.4811258 0.2260916 0.7072174), wk = 0.0018975 k( 91) = ( 0.4748344 0.2316815 0.7065159), wk = 0.0018975 k( 92) = ( 0.4685430 0.2372715 0.7058145), wk = 0.0018975 k( 93) = ( 0.4622516 0.2428615 0.7051131), wk = 0.0018975 k( 94) = ( 0.4559602 0.2484514 0.7044117), wk = 0.0018975 k( 95) = ( 0.4496688 0.2540414 0.7037102), wk = 0.0018975 k( 96) = ( 0.4433774 0.2596314 0.7030088), wk = 0.0018975 k( 97) = ( 0.4370860 0.2652213 0.7023074), wk = 0.0018975 k( 98) = ( 0.4307946 0.2708113 0.7016060), wk = 0.0018975 k( 99) = ( 0.4245032 0.2764013 0.7009045), wk = 0.0018975 k( 100) = ( 0.4182118 0.2819912 0.7002031), wk = 0.0018975 k( 101) = ( 0.4119204 0.2875812 0.6995017), wk = 0.0018975 k( 102) = ( 0.4056291 0.2931712 0.6988002), wk = 0.0018975 k( 103) = ( 0.3993377 0.2987611 0.6980988), wk = 0.0018975 k( 104) = ( 0.3930463 0.3043511 0.6973974), wk = 0.0018975 k( 105) = ( 0.3867549 0.3099411 0.6966959), wk = 0.0018975 k( 106) = ( 0.3804635 0.3155310 0.6959945), wk = 0.0018975 k( 107) = ( 0.3741721 0.3211210 0.6952931), wk = 0.0018975 k( 108) = ( 0.3678807 0.3267110 0.6945917), wk = 0.0018975 k( 109) = ( 0.3615893 0.3323010 0.6938902), wk = 0.0018975 k( 110) = ( 0.3552979 0.3378909 0.6931888), wk = 0.0018975 k( 111) = ( 0.3490065 0.3434809 0.6924874), wk = 0.0018975 k( 112) = ( 0.3427151 0.3490709 0.6917860), wk = 0.0018975 k( 113) = ( 0.3364237 0.3546608 0.6910845), wk = 0.0018975 k( 114) = ( 0.3301323 0.3602508 0.6903831), wk = 0.0018975 k( 115) = ( 0.3238409 0.3658408 0.6896817), wk = 0.0018975 k( 116) = ( 0.3175495 0.3714307 0.6889802), wk = 0.0018975 k( 117) = ( 0.3112581 0.3770207 0.6882788), wk = 0.0018975 k( 118) = ( 0.3049667 0.3826107 0.6875774), wk = 0.0018975 k( 119) = ( 0.2986753 0.3882006 0.6868760), wk = 0.0018975 k( 120) = ( 0.2923839 0.3937906 0.6861745), wk = 0.0018975 k( 121) = ( 0.2860925 0.3993806 0.6854731), wk = 0.0018975 k( 122) = ( 0.2798011 0.4049705 0.6847717), wk = 0.0018975 k( 123) = ( 0.2735097 0.4105605 0.6840702), wk = 0.0018975 k( 124) = ( 0.2672183 0.4161505 0.6833688), wk = 0.0018975 k( 125) = ( 0.2609269 0.4217405 0.6826674), wk = 0.0018975 k( 126) = ( 0.2546355 0.4273304 0.6819660), wk = 0.0018975 k( 127) = ( 0.2483442 0.4329204 0.6812645), wk = 0.0018975 k( 128) = ( 0.2420528 0.4385104 0.6805631), wk = 0.0018975 k( 129) = ( 0.2357614 0.4441003 0.6798617), wk = 0.0018975 k( 130) = ( 0.2294700 0.4496903 0.6791602), wk = 0.0018975 k( 131) = ( 0.2231786 0.4552803 0.6784588), wk = 0.0018975 k( 132) = ( 0.2168872 0.4608702 0.6777574), wk = 0.0018975 k( 133) = ( 0.2105958 0.4664602 0.6770560), wk = 0.0018975 k( 134) = ( 0.2043044 0.4720502 0.6763545), wk = 0.0018975 k( 135) = ( 0.1980130 0.4776401 0.6756531), wk = 0.0018975 k( 136) = ( 0.1917216 0.4832301 0.6749517), wk = 0.0018975 k( 137) = ( 0.1854302 0.4888201 0.6742503), wk = 0.0018975 k( 138) = ( 0.1791388 0.4944100 0.6735488), wk = 0.0018975 k( 139) = ( 0.1728474 0.5000000 0.6728474), wk = 0.0018975 k( 140) = ( 0.1728474 0.5000000 0.6728474), wk = 0.0018975 k( 141) = ( 0.1642050 0.5000000 0.6642050), wk = 0.0018975 k( 142) = ( 0.1555627 0.5000000 0.6555627), wk = 0.0018975 k( 143) = ( 0.1469203 0.5000000 0.6469203), wk = 0.0018975 k( 144) = ( 0.1382779 0.5000000 0.6382779), wk = 0.0018975 k( 145) = ( 0.1296355 0.5000000 0.6296356), wk = 0.0018975 k( 146) = ( 0.1209932 0.5000000 0.6209932), wk = 0.0018975 k( 147) = ( 0.1123508 0.5000000 0.6123508), wk = 0.0018975 k( 148) = ( 0.1037084 0.5000000 0.6037084), wk = 0.0018975 k( 149) = ( 0.0950661 0.5000000 0.5950661), wk = 0.0018975 k( 150) = ( 0.0864237 0.5000000 0.5864237), wk = 0.0018975 k( 151) = ( 0.0777813 0.5000000 0.5777813), wk = 0.0018975 k( 152) = ( 0.0691390 0.5000000 0.5691390), wk = 0.0018975 k( 153) = ( 0.0604966 0.5000000 0.5604966), wk = 0.0018975 k( 154) = ( 0.0518542 0.5000000 0.5518542), wk = 0.0018975 k( 155) = ( 0.0432119 0.5000000 0.5432118), wk = 0.0018975 k( 156) = ( 0.0345695 0.5000000 0.5345695), wk = 0.0018975 k( 157) = ( 0.0259271 0.5000000 0.5259271), wk = 0.0018975 k( 158) = ( 0.0172847 0.5000000 0.5172847), wk = 0.0018975 k( 159) = ( 0.0086424 0.5000000 0.5086424), wk = 0.0018975 k( 160) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018975 k( 161) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018975 k( 162) = ( 0.0000000 0.4918033 0.4918033), wk = 0.0018975 k( 163) = ( 0.0000000 0.4836066 0.4836066), wk = 0.0018975 k( 164) = ( 0.0000000 0.4754098 0.4754098), wk = 0.0018975 k( 165) = ( 0.0000000 0.4672131 0.4672131), wk = 0.0018975 k( 166) = ( 0.0000000 0.4590164 0.4590164), wk = 0.0018975 k( 167) = ( 0.0000000 0.4508197 0.4508197), wk = 0.0018975 k( 168) = ( 0.0000000 0.4426230 0.4426230), wk = 0.0018975 k( 169) = ( 0.0000000 0.4344262 0.4344262), wk = 0.0018975 k( 170) = ( 0.0000000 0.4262295 0.4262295), wk = 0.0018975 k( 171) = ( 0.0000000 0.4180328 0.4180328), wk = 0.0018975 k( 172) = ( 0.0000000 0.4098361 0.4098361), wk = 0.0018975 k( 173) = ( 0.0000000 0.4016393 0.4016393), wk = 0.0018975 k( 174) = ( 0.0000000 0.3934426 0.3934426), wk = 0.0018975 k( 175) = ( 0.0000000 0.3852459 0.3852459), wk = 0.0018975 k( 176) = ( 0.0000000 0.3770492 0.3770492), wk = 0.0018975 k( 177) = ( 0.0000000 0.3688525 0.3688525), wk = 0.0018975 k( 178) = ( 0.0000000 0.3606557 0.3606557), wk = 0.0018975 k( 179) = ( 0.0000000 0.3524590 0.3524590), wk = 0.0018975 k( 180) = ( 0.0000000 0.3442623 0.3442623), wk = 0.0018975 k( 181) = ( 0.0000000 0.3360656 0.3360656), wk = 0.0018975 k( 182) = ( 0.0000000 0.3278688 0.3278688), wk = 0.0018975 k( 183) = ( 0.0000000 0.3196721 0.3196721), wk = 0.0018975 k( 184) = ( 0.0000000 0.3114754 0.3114754), wk = 0.0018975 k( 185) = ( 0.0000000 0.3032787 0.3032787), wk = 0.0018975 k( 186) = ( 0.0000000 0.2950820 0.2950820), wk = 0.0018975 k( 187) = ( 0.0000000 0.2868852 0.2868852), wk = 0.0018975 k( 188) = ( 0.0000000 0.2786885 0.2786885), wk = 0.0018975 k( 189) = ( 0.0000000 0.2704918 0.2704918), wk = 0.0018975 k( 190) = ( 0.0000000 0.2622951 0.2622951), wk = 0.0018975 k( 191) = ( 0.0000000 0.2540984 0.2540984), wk = 0.0018975 k( 192) = ( 0.0000000 0.2459016 0.2459016), wk = 0.0018975 k( 193) = ( 0.0000000 0.2377049 0.2377049), wk = 0.0018975 k( 194) = ( 0.0000000 0.2295082 0.2295082), wk = 0.0018975 k( 195) = ( 0.0000000 0.2213115 0.2213115), wk = 0.0018975 k( 196) = ( 0.0000000 0.2131148 0.2131148), wk = 0.0018975 k( 197) = ( 0.0000000 0.2049180 0.2049180), wk = 0.0018975 k( 198) = ( 0.0000000 0.1967213 0.1967213), wk = 0.0018975 k( 199) = ( 0.0000000 0.1885246 0.1885246), wk = 0.0018975 k( 200) = ( 0.0000000 0.1803279 0.1803279), wk = 0.0018975 k( 201) = ( 0.0000000 0.1721312 0.1721312), wk = 0.0018975 k( 202) = ( 0.0000000 0.1639344 0.1639344), wk = 0.0018975 k( 203) = ( 0.0000000 0.1557377 0.1557377), wk = 0.0018975 k( 204) = ( 0.0000000 0.1475410 0.1475410), wk = 0.0018975 k( 205) = ( 0.0000000 0.1393443 0.1393443), wk = 0.0018975 k( 206) = ( 0.0000000 0.1311475 0.1311475), wk = 0.0018975 k( 207) = ( 0.0000000 0.1229508 0.1229508), wk = 0.0018975 k( 208) = ( 0.0000000 0.1147541 0.1147541), wk = 0.0018975 k( 209) = ( 0.0000000 0.1065574 0.1065574), wk = 0.0018975 k( 210) = ( 0.0000000 0.0983607 0.0983607), wk = 0.0018975 k( 211) = ( 0.0000000 0.0901639 0.0901639), wk = 0.0018975 k( 212) = ( 0.0000000 0.0819672 0.0819672), wk = 0.0018975 k( 213) = ( 0.0000000 0.0737705 0.0737705), wk = 0.0018975 k( 214) = ( 0.0000000 0.0655738 0.0655738), wk = 0.0018975 k( 215) = ( 0.0000000 0.0573770 0.0573770), wk = 0.0018975 k( 216) = ( 0.0000000 0.0491803 0.0491803), wk = 0.0018975 k( 217) = ( 0.0000000 0.0409836 0.0409836), wk = 0.0018975 k( 218) = ( 0.0000000 0.0327869 0.0327869), wk = 0.0018975 k( 219) = ( 0.0000000 0.0245902 0.0245902), wk = 0.0018975 k( 220) = ( 0.0000000 0.0163934 0.0163934), wk = 0.0018975 k( 221) = ( 0.0000000 0.0081967 0.0081967), wk = 0.0018975 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 k( 224) = ( 0.0096154 0.0096154 0.0000000), wk = 0.0018975 k( 225) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0018975 k( 226) = ( 0.0288462 0.0288461 -0.0000000), wk = 0.0018975 k( 227) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0018975 k( 228) = ( 0.0480769 0.0480769 0.0000000), wk = 0.0018975 k( 229) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0018975 k( 230) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0018975 k( 231) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0018975 k( 232) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0018975 k( 233) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0018975 k( 234) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0018975 k( 235) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0018975 k( 236) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0018975 k( 237) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0018975 k( 238) = ( 0.1442308 0.1442308 0.0000000), wk = 0.0018975 k( 239) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0018975 k( 240) = ( 0.1634615 0.1634615 0.0000000), wk = 0.0018975 k( 241) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0018975 k( 242) = ( 0.1826923 0.1826923 0.0000000), wk = 0.0018975 k( 243) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0018975 k( 244) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0018975 k( 245) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0018975 k( 246) = ( 0.2211539 0.2211538 0.0000000), wk = 0.0018975 k( 247) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0018975 k( 248) = ( 0.2403846 0.2403846 0.0000000), wk = 0.0018975 k( 249) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0018975 k( 250) = ( 0.2596154 0.2596154 0.0000000), wk = 0.0018975 k( 251) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0018975 k( 252) = ( 0.2788462 0.2788462 -0.0000000), wk = 0.0018975 k( 253) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0018975 k( 254) = ( 0.2980769 0.2980769 0.0000000), wk = 0.0018975 k( 255) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0018975 k( 256) = ( 0.3173077 0.3173077 0.0000000), wk = 0.0018975 k( 257) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0018975 k( 258) = ( 0.3365385 0.3365385 0.0000000), wk = 0.0018975 k( 259) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0018975 k( 260) = ( 0.3557692 0.3557692 0.0000000), wk = 0.0018975 k( 261) = ( 0.3653846 0.3653846 0.0000000), wk = 0.0018975 k( 262) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0018975 k( 263) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0018975 k( 264) = ( 0.3942308 0.3942308 0.0000000), wk = 0.0018975 k( 265) = ( 0.4038462 0.4038462 -0.0000000), wk = 0.0018975 k( 266) = ( 0.4134615 0.4134615 0.0000000), wk = 0.0018975 k( 267) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0018975 k( 268) = ( 0.4326923 0.4326923 0.0000000), wk = 0.0018975 k( 269) = ( 0.4423077 0.4423077 0.0000000), wk = 0.0018975 k( 270) = ( 0.4519231 0.4519231 0.0000000), wk = 0.0018975 k( 271) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0018975 k( 272) = ( 0.4711538 0.4711538 0.0000000), wk = 0.0018975 k( 273) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0018975 k( 274) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0018975 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018975 k( 276) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018975 k( 277) = ( 0.5086093 0.5000000 0.0086093), wk = 0.0018975 k( 278) = ( 0.5172186 0.5000000 0.0172186), wk = 0.0018975 k( 279) = ( 0.5258278 0.5000000 0.0258278), wk = 0.0018975 k( 280) = ( 0.5344371 0.5000000 0.0344371), wk = 0.0018975 k( 281) = ( 0.5430464 0.5000000 0.0430464), wk = 0.0018975 k( 282) = ( 0.5516557 0.5000000 0.0516557), wk = 0.0018975 k( 283) = ( 0.5602649 0.5000000 0.0602650), wk = 0.0018975 k( 284) = ( 0.5688742 0.5000000 0.0688742), wk = 0.0018975 k( 285) = ( 0.5774835 0.5000000 0.0774835), wk = 0.0018975 k( 286) = ( 0.5860928 0.5000000 0.0860928), wk = 0.0018975 k( 287) = ( 0.5947021 0.5000000 0.0947021), wk = 0.0018975 k( 288) = ( 0.6033114 0.5000000 0.1033113), wk = 0.0018975 k( 289) = ( 0.6119206 0.5000000 0.1119206), wk = 0.0018975 k( 290) = ( 0.6205299 0.5000000 0.1205299), wk = 0.0018975 k( 291) = ( 0.6291392 0.5000000 0.1291392), wk = 0.0018975 k( 292) = ( 0.6377485 0.5000000 0.1377485), wk = 0.0018975 k( 293) = ( 0.6463577 0.5000000 0.1463577), wk = 0.0018975 k( 294) = ( 0.6549670 0.5000000 0.1549670), wk = 0.0018975 k( 295) = ( 0.6635763 0.5000000 0.1635763), wk = 0.0018975 k( 296) = ( 0.6721856 0.5000000 0.1721856), wk = 0.0018975 k( 297) = ( 0.6807949 0.5000000 0.1807949), wk = 0.0018975 k( 298) = ( 0.6894041 0.5000000 0.1894041), wk = 0.0018975 k( 299) = ( 0.6980134 0.5000000 0.1980134), wk = 0.0018975 k( 300) = ( 0.7066227 0.5000000 0.2066227), wk = 0.0018975 k( 301) = ( 0.7152320 0.5000000 0.2152320), wk = 0.0018975 k( 302) = ( 0.7238412 0.5000000 0.2238413), wk = 0.0018975 k( 303) = ( 0.7324505 0.5000000 0.2324505), wk = 0.0018975 k( 304) = ( 0.7410598 0.5000000 0.2410598), wk = 0.0018975 k( 305) = ( 0.7496691 0.5000000 0.2496691), wk = 0.0018975 k( 306) = ( 0.7582784 0.5000000 0.2582784), wk = 0.0018975 k( 307) = ( 0.7668877 0.5000000 0.2668876), wk = 0.0018975 k( 308) = ( 0.7754969 0.5000000 0.2754969), wk = 0.0018975 k( 309) = ( 0.7841062 0.5000000 0.2841062), wk = 0.0018975 k( 310) = ( 0.7927155 0.5000000 0.2927155), wk = 0.0018975 k( 311) = ( 0.8013248 0.5000000 0.3013248), wk = 0.0018975 k( 312) = ( 0.8099340 0.5000000 0.3099340), wk = 0.0018975 k( 313) = ( 0.8185433 0.5000000 0.3185433), wk = 0.0018975 k( 314) = ( 0.8271526 0.5000000 0.3271526), wk = 0.0018975 k( 315) = ( 0.8271526 0.5000000 0.3271526), wk = 0.0018975 k( 316) = ( 0.8258609 0.4929467 0.3329142), wk = 0.0018975 k( 317) = ( 0.8245693 0.4858935 0.3386758), wk = 0.0018975 k( 318) = ( 0.8232776 0.4788403 0.3444373), wk = 0.0018975 k( 319) = ( 0.8219859 0.4717870 0.3501989), wk = 0.0018975 k( 320) = ( 0.8206943 0.4647338 0.3559605), wk = 0.0018975 k( 321) = ( 0.8194026 0.4576805 0.3617221), wk = 0.0018975 k( 322) = ( 0.8181109 0.4506273 0.3674837), wk = 0.0018975 k( 323) = ( 0.8168193 0.4435740 0.3732452), wk = 0.0018975 k( 324) = ( 0.8155276 0.4365208 0.3790068), wk = 0.0018975 k( 325) = ( 0.8142360 0.4294676 0.3847684), wk = 0.0018975 k( 326) = ( 0.8129443 0.4224143 0.3905300), wk = 0.0018975 k( 327) = ( 0.8116526 0.4153611 0.3962916), wk = 0.0018975 k( 328) = ( 0.8103609 0.4083078 0.4020531), wk = 0.0018975 k( 329) = ( 0.8090693 0.4012546 0.4078147), wk = 0.0018975 k( 330) = ( 0.8077776 0.3942013 0.4135763), wk = 0.0018975 k( 331) = ( 0.8064860 0.3871481 0.4193379), wk = 0.0018975 k( 332) = ( 0.8051943 0.3800948 0.4250995), wk = 0.0018975 k( 333) = ( 0.8039026 0.3730416 0.4308610), wk = 0.0018975 k( 334) = ( 0.8026110 0.3659883 0.4366226), wk = 0.0018975 k( 335) = ( 0.8013193 0.3589351 0.4423842), wk = 0.0018975 k( 336) = ( 0.8000276 0.3518818 0.4481458), wk = 0.0018975 k( 337) = ( 0.7987360 0.3448286 0.4539074), wk = 0.0018975 k( 338) = ( 0.7974443 0.3377754 0.4596689), wk = 0.0018975 k( 339) = ( 0.7961526 0.3307221 0.4654305), wk = 0.0018975 k( 340) = ( 0.7948610 0.3236689 0.4711921), wk = 0.0018975 k( 341) = ( 0.7935693 0.3166156 0.4769537), wk = 0.0018975 k( 342) = ( 0.7922776 0.3095624 0.4827153), wk = 0.0018975 k( 343) = ( 0.7909860 0.3025091 0.4884768), wk = 0.0018975 k( 344) = ( 0.7896943 0.2954559 0.4942384), wk = 0.0018975 k( 345) = ( 0.7884026 0.2884027 0.5000000), wk = 0.0018975 k( 346) = ( 0.7884026 0.2884027 0.5000000), wk = 0.0018975 k( 347) = ( 0.7811926 0.2864256 0.5052330), wk = 0.0018975 k( 348) = ( 0.7739825 0.2844486 0.5104661), wk = 0.0018975 k( 349) = ( 0.7667725 0.2824716 0.5156991), wk = 0.0018975 k( 350) = ( 0.7595624 0.2804946 0.5209322), wk = 0.0018975 k( 351) = ( 0.7523523 0.2785175 0.5261652), wk = 0.0018975 k( 352) = ( 0.7451423 0.2765405 0.5313982), wk = 0.0018975 k( 353) = ( 0.7379322 0.2745635 0.5366313), wk = 0.0018975 k( 354) = ( 0.7307221 0.2725864 0.5418643), wk = 0.0018975 k( 355) = ( 0.7235120 0.2706094 0.5470974), wk = 0.0018975 k( 356) = ( 0.7163020 0.2686324 0.5523304), wk = 0.0018975 k( 357) = ( 0.7090919 0.2666554 0.5575635), wk = 0.0018975 k( 358) = ( 0.7018819 0.2646784 0.5627965), wk = 0.0018975 k( 359) = ( 0.6946718 0.2627013 0.5680295), wk = 0.0018975 k( 360) = ( 0.6874617 0.2607243 0.5732626), wk = 0.0018975 k( 361) = ( 0.6802516 0.2587473 0.5784956), wk = 0.0018975 k( 362) = ( 0.6730416 0.2567703 0.5837287), wk = 0.0018975 k( 363) = ( 0.6658315 0.2547932 0.5889617), wk = 0.0018975 k( 364) = ( 0.6586215 0.2528162 0.5941947), wk = 0.0018975 k( 365) = ( 0.6514114 0.2508392 0.5994278), wk = 0.0018975 k( 366) = ( 0.6442013 0.2488622 0.6046608), wk = 0.0018975 k( 367) = ( 0.6369913 0.2468851 0.6098939), wk = 0.0018975 k( 368) = ( 0.6297812 0.2449081 0.6151269), wk = 0.0018975 k( 369) = ( 0.6225711 0.2429311 0.6203599), wk = 0.0018975 k( 370) = ( 0.6153611 0.2409541 0.6255930), wk = 0.0018975 k( 371) = ( 0.6081510 0.2389770 0.6308260), wk = 0.0018975 k( 372) = ( 0.6009409 0.2370000 0.6360591), wk = 0.0018975 k( 373) = ( 0.5937309 0.2350230 0.6412921), wk = 0.0018975 k( 374) = ( 0.5865208 0.2330460 0.6465252), wk = 0.0018975 k( 375) = ( 0.5793107 0.2310689 0.6517582), wk = 0.0018975 k( 376) = ( 0.5721007 0.2290919 0.6569912), wk = 0.0018975 k( 377) = ( 0.5648906 0.2271149 0.6622243), wk = 0.0018975 k( 378) = ( 0.5576805 0.2251379 0.6674573), wk = 0.0018975 k( 379) = ( 0.5504705 0.2231608 0.6726904), wk = 0.0018975 k( 380) = ( 0.5432604 0.2211838 0.6779234), wk = 0.0018975 k( 381) = ( 0.5360503 0.2192068 0.6831565), wk = 0.0018975 k( 382) = ( 0.5288403 0.2172298 0.6883895), wk = 0.0018975 k( 383) = ( 0.5216302 0.2152527 0.6936225), wk = 0.0018975 k( 384) = ( 0.5144201 0.2132757 0.6988556), wk = 0.0018975 k( 385) = ( 0.5072101 0.2112987 0.7040886), wk = 0.0018975 k( 386) = ( 0.5000000 0.2093217 0.7093217), wk = 0.0018975 k( 387) = ( 0.5000000 0.7906783 0.2906783), wk = 0.0018975 k( 388) = ( 0.5000000 0.7826039 0.2826039), wk = 0.0018975 k( 389) = ( 0.5000000 0.7745296 0.2745296), wk = 0.0018975 k( 390) = ( 0.5000000 0.7664551 0.2664551), wk = 0.0018975 k( 391) = ( 0.5000000 0.7583808 0.2583807), wk = 0.0018975 k( 392) = ( 0.5000000 0.7503064 0.2503064), wk = 0.0018975 k( 393) = ( 0.5000000 0.7422319 0.2422320), wk = 0.0018975 k( 394) = ( 0.5000000 0.7341575 0.2341575), wk = 0.0018975 k( 395) = ( 0.5000000 0.7260832 0.2260831), wk = 0.0018975 k( 396) = ( 0.5000000 0.7180088 0.2180088), wk = 0.0018975 k( 397) = ( 0.5000000 0.7099344 0.2099344), wk = 0.0018975 k( 398) = ( 0.5000000 0.7018600 0.2018600), wk = 0.0018975 k( 399) = ( 0.5000000 0.6937856 0.1937856), wk = 0.0018975 k( 400) = ( 0.5000000 0.6857112 0.1857112), wk = 0.0018975 k( 401) = ( 0.5000000 0.6776368 0.1776368), wk = 0.0018975 k( 402) = ( 0.5000000 0.6695624 0.1695624), wk = 0.0018975 k( 403) = ( 0.5000000 0.6614880 0.1614880), wk = 0.0018975 k( 404) = ( 0.5000000 0.6534136 0.1534136), wk = 0.0018975 k( 405) = ( 0.5000000 0.6453392 0.1453392), wk = 0.0018975 k( 406) = ( 0.5000000 0.6372648 0.1372648), wk = 0.0018975 k( 407) = ( 0.5000000 0.6291904 0.1291904), wk = 0.0018975 k( 408) = ( 0.5000000 0.6211160 0.1211160), wk = 0.0018975 k( 409) = ( 0.5000000 0.6130416 0.1130416), wk = 0.0018975 k( 410) = ( 0.5000000 0.6049672 0.1049672), wk = 0.0018975 k( 411) = ( 0.5000000 0.5968928 0.0968928), wk = 0.0018975 k( 412) = ( 0.5000000 0.5888184 0.0888184), wk = 0.0018975 k( 413) = ( 0.5000000 0.5807440 0.0807440), wk = 0.0018975 k( 414) = ( 0.5000000 0.5726696 0.0726696), wk = 0.0018975 k( 415) = ( 0.5000000 0.5645952 0.0645952), wk = 0.0018975 k( 416) = ( 0.5000000 0.5565208 0.0565208), wk = 0.0018975 k( 417) = ( 0.5000000 0.5484464 0.0484464), wk = 0.0018975 k( 418) = ( 0.5000000 0.5403720 0.0403720), wk = 0.0018975 k( 419) = ( 0.5000000 0.5322976 0.0322976), wk = 0.0018975 k( 420) = ( 0.5000000 0.5242232 0.0242232), wk = 0.0018975 k( 421) = ( 0.5000000 0.5161488 0.0161488), wk = 0.0018975 k( 422) = ( 0.5000000 0.5080744 0.0080744), wk = 0.0018975 k( 423) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018975 k( 424) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018975 k( 425) = ( 0.0096181 0.5096181 0.5000000), wk = 0.0018975 k( 426) = ( 0.0192361 0.5192361 0.5000000), wk = 0.0018975 k( 427) = ( 0.0288542 0.5288542 0.5000000), wk = 0.0018975 k( 428) = ( 0.0384722 0.5384722 0.5000000), wk = 0.0018975 k( 429) = ( 0.0480903 0.5480903 0.5000000), wk = 0.0018975 k( 430) = ( 0.0577084 0.5577084 0.5000000), wk = 0.0018975 k( 431) = ( 0.0673264 0.5673264 0.5000000), wk = 0.0018975 k( 432) = ( 0.0769445 0.5769445 0.5000000), wk = 0.0018975 k( 433) = ( 0.0865626 0.5865626 0.5000000), wk = 0.0018975 k( 434) = ( 0.0961806 0.5961806 0.5000000), wk = 0.0018975 k( 435) = ( 0.1057987 0.6057987 0.5000000), wk = 0.0018975 k( 436) = ( 0.1154167 0.6154167 0.5000000), wk = 0.0018975 k( 437) = ( 0.1250348 0.6250348 0.5000000), wk = 0.0018975 k( 438) = ( 0.1346529 0.6346529 0.5000000), wk = 0.0018975 k( 439) = ( 0.1442709 0.6442709 0.5000000), wk = 0.0018975 k( 440) = ( 0.1538890 0.6538890 0.5000000), wk = 0.0018975 k( 441) = ( 0.1635070 0.6635070 0.5000000), wk = 0.0018975 k( 442) = ( 0.1731251 0.6731251 0.5000000), wk = 0.0018975 k( 443) = ( 0.1827432 0.6827432 0.5000000), wk = 0.0018975 k( 444) = ( 0.1923612 0.6923612 0.5000000), wk = 0.0018975 k( 445) = ( 0.2019793 0.7019793 0.5000000), wk = 0.0018975 k( 446) = ( 0.2115973 0.7115974 0.5000000), wk = 0.0018975 k( 447) = ( 0.7884026 0.2884027 0.5000000), wk = 0.0018975 k( 448) = ( 0.7787892 0.2787892 0.5000000), wk = 0.0018975 k( 449) = ( 0.7691758 0.2691758 0.5000000), wk = 0.0018975 k( 450) = ( 0.7595624 0.2595624 0.5000000), wk = 0.0018975 k( 451) = ( 0.7499490 0.2499490 0.5000000), wk = 0.0018975 k( 452) = ( 0.7403355 0.2403355 0.5000000), wk = 0.0018975 k( 453) = ( 0.7307221 0.2307221 0.5000000), wk = 0.0018975 k( 454) = ( 0.7211087 0.2211087 0.5000000), wk = 0.0018975 k( 455) = ( 0.7114953 0.2114953 0.5000000), wk = 0.0018975 k( 456) = ( 0.7018819 0.2018819 0.5000000), wk = 0.0018975 k( 457) = ( 0.6922684 0.1922684 0.5000000), wk = 0.0018975 k( 458) = ( 0.6826550 0.1826550 0.5000000), wk = 0.0018975 k( 459) = ( 0.6730416 0.1730416 0.5000000), wk = 0.0018975 k( 460) = ( 0.6634282 0.1634282 0.5000000), wk = 0.0018975 k( 461) = ( 0.6538147 0.1538147 0.5000000), wk = 0.0018975 k( 462) = ( 0.6442013 0.1442013 0.5000000), wk = 0.0018975 k( 463) = ( 0.6345879 0.1345879 0.5000000), wk = 0.0018975 k( 464) = ( 0.6249745 0.1249745 0.5000000), wk = 0.0018975 k( 465) = ( 0.6153611 0.1153611 0.5000000), wk = 0.0018975 k( 466) = ( 0.6057476 0.1057476 0.5000000), wk = 0.0018975 k( 467) = ( 0.5961342 0.0961342 0.5000000), wk = 0.0018975 k( 468) = ( 0.5865208 0.0865208 0.5000000), wk = 0.0018975 k( 469) = ( 0.5769074 0.0769074 0.5000000), wk = 0.0018975 k( 470) = ( 0.5672940 0.0672940 0.5000000), wk = 0.0018975 k( 471) = ( 0.5576805 0.0576805 0.5000000), wk = 0.0018975 k( 472) = ( 0.5480671 0.0480671 0.5000000), wk = 0.0018975 k( 473) = ( 0.5384537 0.0384537 0.5000000), wk = 0.0018975 k( 474) = ( 0.5288403 0.0288403 0.5000000), wk = 0.0018975 k( 475) = ( 0.5192268 0.0192268 0.5000000), wk = 0.0018975 k( 476) = ( 0.5096134 0.0096134 0.5000000), wk = 0.0018975 k( 477) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018975 k( 478) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018975 k( 479) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0018975 k( 480) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0018975 k( 481) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0018975 k( 482) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0018975 k( 483) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0018975 k( 484) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0018975 k( 485) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0018975 k( 486) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0018975 k( 487) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0018975 k( 488) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0018975 k( 489) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0018975 k( 490) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0018975 k( 491) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0018975 k( 492) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0018975 k( 493) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0018975 k( 494) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0018975 k( 495) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0018975 k( 496) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0018975 k( 497) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0018975 k( 498) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0018975 k( 499) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0018975 k( 500) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0018975 k( 501) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0018975 k( 502) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0018975 k( 503) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0018975 k( 504) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0018975 k( 505) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0018975 k( 506) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0018975 k( 507) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0018975 k( 508) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0018975 k( 509) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0018975 k( 510) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0018975 k( 511) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0018975 k( 512) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0018975 k( 513) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0018975 k( 514) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0018975 k( 515) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0018975 k( 516) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0018975 k( 517) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0018975 k( 518) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0018975 k( 519) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0018975 k( 520) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0018975 k( 521) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0018975 k( 522) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0018975 k( 523) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0018975 k( 524) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0018975 k( 525) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0018975 k( 526) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0018975 k( 527) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018975 Dense grid: 27987 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 14029 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 76, 28) NL pseudopotentials 0.03 Mb ( 38, 48) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 585) G-vector shells 0.00 Mb ( 529) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 76, 112) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 0.04 Mb ( 48, 2, 28) The potential is recalculated from file : ./TlF.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.0 secs Computing kpt #: 2 total cpu time spent up to now is 42.5 secs Computing kpt #: 3 total cpu time spent up to now is 43.0 secs Computing kpt #: 4 total cpu time spent up to now is 43.4 secs Computing kpt #: 5 total cpu time spent up to now is 43.8 secs Computing kpt #: 6 total cpu time spent up to now is 44.2 secs Computing kpt #: 7 total cpu time spent up to now is 44.6 secs Computing kpt #: 8 total cpu time spent up to now is 44.9 secs Computing kpt #: 9 total cpu time spent up to now is 45.3 secs Computing kpt #: 10 total cpu time spent up to now is 45.7 secs Computing kpt #: 11 total cpu time spent up to now is 46.0 secs Computing kpt #: 12 total cpu time spent up to now is 46.3 secs Computing kpt #: 13 total cpu time spent up to now is 46.7 secs Computing kpt #: 14 total cpu time spent up to now is 47.0 secs Computing kpt #: 15 total cpu time spent up to now is 47.3 secs Computing kpt #: 16 total cpu time spent up to now is 47.6 secs Computing kpt #: 17 total cpu time spent up to now is 48.0 secs Computing kpt #: 18 total cpu time spent up to now is 48.3 secs Computing kpt #: 19 total cpu time spent up to now is 48.7 secs Computing kpt #: 20 total cpu time spent up to now is 49.0 secs Computing kpt #: 21 total cpu time spent up to now is 49.3 secs Computing kpt #: 22 total cpu time spent up to now is 49.6 secs Computing kpt #: 23 total cpu time spent up to now is 50.0 secs Computing kpt #: 24 total cpu time spent up to now is 50.3 secs Computing kpt #: 25 total cpu time spent up to now is 50.8 secs Computing kpt #: 26 total cpu time spent up to now is 51.1 secs Computing kpt #: 27 total cpu time spent up to now is 51.4 secs Computing kpt #: 28 total cpu time spent up to now is 51.7 secs Computing kpt #: 29 total cpu time spent up to now is 52.1 secs Computing kpt #: 30 total cpu time spent up to now is 52.4 secs Computing kpt #: 31 total cpu time spent up to now is 52.7 secs Computing kpt #: 32 total cpu time spent up to now is 53.0 secs Computing kpt #: 33 total cpu time spent up to now is 53.3 secs Computing kpt #: 34 total cpu time spent up to now is 53.6 secs Computing kpt #: 35 total cpu time spent up to now is 53.8 secs Computing kpt #: 36 total cpu time spent up to now is 54.2 secs Computing kpt #: 37 total cpu time spent up to now is 54.4 secs Computing kpt #: 38 total cpu time spent up to now is 54.7 secs Computing kpt #: 39 total cpu time spent up to now is 55.1 secs Computing kpt #: 40 total cpu time spent up to now is 55.4 secs Computing kpt #: 41 total cpu time spent up to now is 55.6 secs Computing kpt #: 42 total cpu time spent up to now is 56.3 secs Computing kpt #: 43 total cpu time spent up to now is 56.6 secs Computing kpt #: 44 total cpu time spent up to now is 56.8 secs Computing kpt #: 45 total cpu time spent up to now is 57.2 secs Computing kpt #: 46 total cpu time spent up to now is 57.5 secs Computing kpt #: 47 total cpu time spent up to now is 57.8 secs Computing kpt #: 48 total cpu time spent up to now is 58.0 secs Computing kpt #: 49 total cpu time spent up to now is 58.3 secs Computing kpt #: 50 total cpu time spent up to now is 58.5 secs Computing kpt #: 51 total cpu time spent up to now is 58.8 secs Computing kpt #: 52 total cpu time spent up to now is 59.0 secs Computing kpt #: 53 total cpu time spent up to now is 59.3 secs Computing kpt #: 54 total cpu time spent up to now is 59.5 secs Computing kpt #: 55 total cpu time spent up to now is 59.8 secs Computing kpt #: 56 total cpu time spent up to now is 60.1 secs Computing kpt #: 57 total cpu time spent up to now is 60.3 secs Computing kpt #: 58 total cpu time spent up to now is 60.7 secs Computing kpt #: 59 total cpu time spent up to now is 61.0 secs Computing kpt #: 60 total cpu time spent up to now is 61.3 secs Computing kpt #: 61 total cpu time spent up to now is 61.6 secs Computing kpt #: 62 total cpu time spent up to now is 61.8 secs Computing kpt #: 63 total cpu time spent up to now is 62.1 secs Computing kpt #: 64 total cpu time spent up to now is 62.4 secs Computing kpt #: 65 total cpu time spent up to now is 62.8 secs Computing kpt #: 66 total cpu time spent up to now is 63.1 secs Computing kpt #: 67 total cpu time spent up to now is 63.3 secs Computing kpt #: 68 total cpu time spent up to now is 63.6 secs Computing kpt #: 69 total cpu time spent up to now is 63.9 secs Computing kpt #: 70 total cpu time spent up to now is 64.1 secs Computing kpt #: 71 total cpu time spent up to now is 64.4 secs Computing kpt #: 72 total cpu time spent up to now is 64.6 secs Computing kpt #: 73 total cpu time spent up to now is 64.9 secs Computing kpt #: 74 total cpu time spent up to now is 65.1 secs Computing kpt #: 75 total cpu time spent up to now is 65.3 secs Computing kpt #: 76 total cpu time spent up to now is 65.6 secs Computing kpt #: 77 total cpu time spent up to now is 66.0 secs Computing kpt #: 78 total cpu time spent up to now is 66.3 secs Computing kpt #: 79 total cpu time spent up to now is 66.6 secs Computing kpt #: 80 total cpu time spent up to now is 66.9 secs Computing kpt #: 81 total cpu time spent up to now is 67.8 secs Computing kpt #: 82 total cpu time spent up to now is 68.1 secs Computing kpt #: 83 total cpu time spent up to now is 68.4 secs Computing kpt #: 84 total cpu time spent up to now is 68.7 secs Computing kpt #: 85 total cpu time spent up to now is 69.0 secs Computing kpt #: 86 total cpu time spent up to now is 69.3 secs Computing kpt #: 87 total cpu time spent up to now is 69.6 secs Computing kpt #: 88 total cpu time spent up to now is 69.9 secs Computing kpt #: 89 total cpu time spent up to now is 70.3 secs Computing kpt #: 90 total cpu time spent up to now is 70.7 secs Computing kpt #: 91 total cpu time spent up to now is 71.6 secs Computing kpt #: 92 total cpu time spent up to now is 72.0 secs Computing kpt #: 93 total cpu time spent up to now is 72.3 secs Computing kpt #: 94 total cpu time spent up to now is 72.7 secs Computing kpt #: 95 total cpu time spent up to now is 73.1 secs Computing kpt #: 96 total cpu time spent up to now is 73.4 secs Computing kpt #: 97 total cpu time spent up to now is 73.8 secs Computing kpt #: 98 total cpu time spent up to now is 74.1 secs Computing kpt #: 99 total cpu time spent up to now is 74.5 secs Computing kpt #: 100 total cpu time spent up to now is 74.9 secs Computing kpt #: 101 total cpu time spent up to now is 75.2 secs Computing kpt #: 102 total cpu time spent up to now is 75.6 secs Computing kpt #: 103 total cpu time spent up to now is 76.1 secs Computing kpt #: 104 total cpu time spent up to now is 76.4 secs Computing kpt #: 105 total cpu time spent up to now is 77.2 secs Computing kpt #: 106 total cpu time spent up to now is 77.7 secs Computing kpt #: 107 total cpu time spent up to now is 78.1 secs Computing kpt #: 108 total cpu time spent up to now is 78.5 secs Computing kpt #: 109 total cpu time spent up to now is 78.8 secs Computing kpt #: 110 total cpu time spent up to now is 79.1 secs Computing kpt #: 111 total cpu time spent up to now is 79.4 secs Computing kpt #: 112 total cpu time spent up to now is 79.7 secs Computing kpt #: 113 total cpu time spent up to now is 80.0 secs Computing kpt #: 114 total cpu time spent up to now is 80.4 secs Computing kpt #: 115 total cpu time spent up to now is 80.9 secs Computing kpt #: 116 total cpu time spent up to now is 81.3 secs Computing kpt #: 117 total cpu time spent up to now is 81.6 secs Computing kpt #: 118 total cpu time spent up to now is 82.4 secs Computing kpt #: 119 total cpu time spent up to now is 82.7 secs Computing kpt #: 120 total cpu time spent up to now is 83.0 secs Computing kpt #: 121 total cpu time spent up to now is 83.6 secs Computing kpt #: 122 total cpu time spent up to now is 84.0 secs Computing kpt #: 123 total cpu time spent up to now is 84.5 secs Computing kpt #: 124 total cpu time spent up to now is 85.3 secs Computing kpt #: 125 total cpu time spent up to now is 86.0 secs Computing kpt #: 126 total cpu time spent up to now is 86.7 secs Computing kpt #: 127 total cpu time spent up to now is 87.1 secs Computing kpt #: 128 total cpu time spent up to now is 87.4 secs Computing kpt #: 129 total cpu time spent up to now is 87.7 secs Computing kpt #: 130 total cpu time spent up to now is 88.0 secs Computing kpt #: 131 total cpu time spent up to now is 88.5 secs Computing kpt #: 132 total cpu time spent up to now is 88.8 secs Computing kpt #: 133 total cpu time spent up to now is 89.1 secs Computing kpt #: 134 total cpu time spent up to now is 89.5 secs Computing kpt #: 135 total cpu time spent up to now is 89.8 secs Computing kpt #: 136 total cpu time spent up to now is 90.2 secs Computing kpt #: 137 total cpu time spent up to now is 90.5 secs Computing kpt #: 138 total cpu time spent up to now is 90.8 secs Computing kpt #: 139 total cpu time spent up to now is 91.2 secs Computing kpt #: 140 total cpu time spent up to now is 91.5 secs Computing kpt #: 141 total cpu time spent up to now is 91.7 secs Computing kpt #: 142 total cpu time spent up to now is 92.3 secs Computing kpt #: 143 total cpu time spent up to now is 92.8 secs Computing kpt #: 144 total cpu time spent up to now is 93.1 secs Computing kpt #: 145 total cpu time spent up to now is 93.5 secs Computing kpt #: 146 total cpu time spent up to now is 94.0 secs Computing kpt #: 147 total cpu time spent up to now is 94.5 secs Computing kpt #: 148 total cpu time spent up to now is 94.9 secs Computing kpt #: 149 total cpu time spent up to now is 95.6 secs Computing kpt #: 150 total cpu time spent up to now is 95.8 secs Computing kpt #: 151 total cpu time spent up to now is 96.1 secs Computing kpt #: 152 total cpu time spent up to now is 96.3 secs Computing kpt #: 153 total cpu time spent up to now is 96.7 secs Computing kpt #: 154 total cpu time spent up to now is 96.9 secs Computing kpt #: 155 total cpu time spent up to now is 97.2 secs Computing kpt #: 156 total cpu time spent up to now is 97.4 secs Computing kpt #: 157 total cpu time spent up to now is 97.6 secs Computing kpt #: 158 total cpu time spent up to now is 97.8 secs Computing kpt #: 159 total cpu time spent up to now is 98.1 secs Computing kpt #: 160 total cpu time spent up to now is 98.3 secs Computing kpt #: 161 total cpu time spent up to now is 98.5 secs Computing kpt #: 162 total cpu time spent up to now is 98.8 secs Computing kpt #: 163 total cpu time spent up to now is 99.1 secs Computing kpt #: 164 total cpu time spent up to now is 99.7 secs Computing kpt #: 165 total cpu time spent up to now is 100.7 secs Computing kpt #: 166 total cpu time spent up to now is 100.9 secs Computing kpt #: 167 total cpu time spent up to now is 101.2 secs Computing kpt #: 168 total cpu time spent up to now is 101.5 secs Computing kpt #: 169 total cpu time spent up to now is 101.8 secs Computing kpt #: 170 total cpu time spent up to now is 102.0 secs Computing kpt #: 171 total cpu time spent up to now is 102.3 secs Computing kpt #: 172 total cpu time spent up to now is 102.6 secs Computing kpt #: 173 total cpu time spent up to now is 103.0 secs Computing kpt #: 174 total cpu time spent up to now is 103.3 secs Computing kpt #: 175 total cpu time spent up to now is 103.6 secs Computing kpt #: 176 total cpu time spent up to now is 103.8 secs Computing kpt #: 177 total cpu time spent up to now is 104.1 secs Computing kpt #: 178 total cpu time spent up to now is 104.4 secs Computing kpt #: 179 total cpu time spent up to now is 104.6 secs Computing kpt #: 180 total cpu time spent up to now is 104.8 secs Computing kpt #: 181 total cpu time spent up to now is 105.0 secs Computing kpt #: 182 total cpu time spent up to now is 105.3 secs Computing kpt #: 183 total cpu time spent up to now is 105.5 secs Computing kpt #: 184 total cpu time spent up to now is 105.8 secs Computing kpt #: 185 total cpu time spent up to now is 106.0 secs Computing kpt #: 186 total cpu time spent up to now is 106.2 secs Computing kpt #: 187 total cpu time spent up to now is 106.5 secs Computing kpt #: 188 total cpu time spent up to now is 106.8 secs Computing kpt #: 189 total cpu time spent up to now is 107.0 secs Computing kpt #: 190 total cpu time spent up to now is 107.3 secs Computing kpt #: 191 total cpu time spent up to now is 107.6 secs Computing kpt #: 192 total cpu time spent up to now is 107.9 secs Computing kpt #: 193 total cpu time spent up to now is 108.1 secs Computing kpt #: 194 total cpu time spent up to now is 108.4 secs Computing kpt #: 195 total cpu time spent up to now is 108.7 secs Computing kpt #: 196 total cpu time spent up to now is 109.0 secs Computing kpt #: 197 total cpu time spent up to now is 109.3 secs Computing kpt #: 198 total cpu time spent up to now is 109.6 secs Computing kpt #: 199 total cpu time spent up to now is 109.8 secs Computing kpt #: 200 total cpu time spent up to now is 110.1 secs Computing kpt #: 201 total cpu time spent up to now is 110.4 secs Computing kpt #: 202 total cpu time spent up to now is 110.6 secs Computing kpt #: 203 total cpu time spent up to now is 110.9 secs Computing kpt #: 204 total cpu time spent up to now is 111.2 secs Computing kpt #: 205 total cpu time spent up to now is 111.6 secs Computing kpt #: 206 total cpu time spent up to now is 112.1 secs Computing kpt #: 207 total cpu time spent up to now is 113.1 secs Computing kpt #: 208 total cpu time spent up to now is 113.5 secs Computing kpt #: 209 total cpu time spent up to now is 113.8 secs Computing kpt #: 210 total cpu time spent up to now is 114.2 secs Computing kpt #: 211 total cpu time spent up to now is 114.7 secs Computing kpt #: 212 total cpu time spent up to now is 115.1 secs Computing kpt #: 213 total cpu time spent up to now is 115.5 secs Computing kpt #: 214 total cpu time spent up to now is 116.1 secs Computing kpt #: 215 total cpu time spent up to now is 116.5 secs Computing kpt #: 216 total cpu time spent up to now is 117.1 secs Computing kpt #: 217 total cpu time spent up to now is 117.4 secs Computing kpt #: 218 total cpu time spent up to now is 117.8 secs Computing kpt #: 219 total cpu time spent up to now is 118.2 secs Computing kpt #: 220 total cpu time spent up to now is 118.5 secs Computing kpt #: 221 total cpu time spent up to now is 118.9 secs Computing kpt #: 222 total cpu time spent up to now is 119.2 secs Computing kpt #: 223 total cpu time spent up to now is 119.9 secs Computing kpt #: 224 total cpu time spent up to now is 120.4 secs Computing kpt #: 225 total cpu time spent up to now is 121.2 secs Computing kpt #: 226 total cpu time spent up to now is 121.7 secs Computing kpt #: 227 total cpu time spent up to now is 122.2 secs Computing kpt #: 228 total cpu time spent up to now is 122.8 secs Computing kpt #: 229 total cpu time spent up to now is 123.3 secs Computing kpt #: 230 total cpu time spent up to now is 123.8 secs Computing kpt #: 231 total cpu time spent up to now is 124.2 secs Computing kpt #: 232 total cpu time spent up to now is 124.5 secs Computing kpt #: 233 total cpu time spent up to now is 124.9 secs Computing kpt #: 234 total cpu time spent up to now is 125.2 secs Computing kpt #: 235 total cpu time spent up to now is 125.5 secs Computing kpt #: 236 total cpu time spent up to now is 125.8 secs Computing kpt #: 237 total cpu time spent up to now is 126.2 secs Computing kpt #: 238 total cpu time spent up to now is 126.5 secs Computing kpt #: 239 total cpu time spent up to now is 126.9 secs Computing kpt #: 240 total cpu time spent up to now is 127.4 secs Computing kpt #: 241 total cpu time spent up to now is 127.9 secs Computing kpt #: 242 total cpu time spent up to now is 129.3 secs Computing kpt #: 243 total cpu time spent up to now is 129.6 secs Computing kpt #: 244 total cpu time spent up to now is 130.2 secs Computing kpt #: 245 total cpu time spent up to now is 130.5 secs Computing kpt #: 246 total cpu time spent up to now is 130.7 secs Computing kpt #: 247 total cpu time spent up to now is 131.1 secs Computing kpt #: 248 total cpu time spent up to now is 131.3 secs Computing kpt #: 249 total cpu time spent up to now is 131.6 secs Computing kpt #: 250 total cpu time spent up to now is 131.8 secs Computing kpt #: 251 total cpu time spent up to now is 132.1 secs Computing kpt #: 252 total cpu time spent up to now is 132.3 secs Computing kpt #: 253 total cpu time spent up to now is 132.6 secs Computing kpt #: 254 total cpu time spent up to now is 132.9 secs Computing kpt #: 255 total cpu time spent up to now is 133.2 secs Computing kpt #: 256 total cpu time spent up to now is 133.8 secs Computing kpt #: 257 total cpu time spent up to now is 134.6 secs Computing kpt #: 258 total cpu time spent up to now is 135.2 secs Computing kpt #: 259 total cpu time spent up to now is 135.6 secs Computing kpt #: 260 total cpu time spent up to now is 136.1 secs Computing kpt #: 261 total cpu time spent up to now is 136.4 secs Computing kpt #: 262 total cpu time spent up to now is 136.8 secs Computing kpt #: 263 total cpu time spent up to now is 137.2 secs Computing kpt #: 264 total cpu time spent up to now is 137.5 secs Computing kpt #: 265 total cpu time spent up to now is 138.0 secs Computing kpt #: 266 total cpu time spent up to now is 139.3 secs Computing kpt #: 267 total cpu time spent up to now is 139.8 secs Computing kpt #: 268 total cpu time spent up to now is 140.3 secs Computing kpt #: 269 total cpu time spent up to now is 140.5 secs Computing kpt #: 270 total cpu time spent up to now is 140.7 secs Computing kpt #: 271 total cpu time spent up to now is 141.0 secs Computing kpt #: 272 total cpu time spent up to now is 141.2 secs Computing kpt #: 273 total cpu time spent up to now is 141.5 secs Computing kpt #: 274 total cpu time spent up to now is 141.7 secs Computing kpt #: 275 total cpu time spent up to now is 142.0 secs Computing kpt #: 276 total cpu time spent up to now is 142.2 secs Computing kpt #: 277 total cpu time spent up to now is 142.5 secs Computing kpt #: 278 total cpu time spent up to now is 142.7 secs Computing kpt #: 279 total cpu time spent up to now is 143.0 secs Computing kpt #: 280 total cpu time spent up to now is 143.2 secs Computing kpt #: 281 total cpu time spent up to now is 143.6 secs Computing kpt #: 282 total cpu time spent up to now is 143.9 secs Computing kpt #: 283 total cpu time spent up to now is 144.1 secs Computing kpt #: 284 total cpu time spent up to now is 144.5 secs Computing kpt #: 285 total cpu time spent up to now is 144.9 secs Computing kpt #: 286 total cpu time spent up to now is 145.2 secs Computing kpt #: 287 total cpu time spent up to now is 145.7 secs Computing kpt #: 288 total cpu time spent up to now is 146.0 secs Computing kpt #: 289 total cpu time spent up to now is 146.3 secs Computing kpt #: 290 total cpu time spent up to now is 146.6 secs Computing kpt #: 291 total cpu time spent up to now is 147.1 secs Computing kpt #: 292 total cpu time spent up to now is 147.5 secs Computing kpt #: 293 total cpu time spent up to now is 147.8 secs Computing kpt #: 294 total cpu time spent up to now is 148.5 secs Computing kpt #: 295 total cpu time spent up to now is 148.8 secs Computing kpt #: 296 total cpu time spent up to now is 149.3 secs Computing kpt #: 297 total cpu time spent up to now is 149.7 secs Computing kpt #: 298 total cpu time spent up to now is 150.2 secs Computing kpt #: 299 total cpu time spent up to now is 150.5 secs Computing kpt #: 300 total cpu time spent up to now is 150.9 secs Computing kpt #: 301 total cpu time spent up to now is 151.3 secs Computing kpt #: 302 total cpu time spent up to now is 151.6 secs Computing kpt #: 303 total cpu time spent up to now is 152.0 secs Computing kpt #: 304 total cpu time spent up to now is 152.3 secs Computing kpt #: 305 total cpu time spent up to now is 152.6 secs Computing kpt #: 306 total cpu time spent up to now is 152.9 secs Computing kpt #: 307 total cpu time spent up to now is 153.2 secs Computing kpt #: 308 total cpu time spent up to now is 153.8 secs Computing kpt #: 309 total cpu time spent up to now is 154.2 secs Computing kpt #: 310 total cpu time spent up to now is 154.8 secs Computing kpt #: 311 total cpu time spent up to now is 155.1 secs Computing kpt #: 312 total cpu time spent up to now is 155.5 secs Computing kpt #: 313 total cpu time spent up to now is 155.8 secs Computing kpt #: 314 total cpu time spent up to now is 156.1 secs Computing kpt #: 315 total cpu time spent up to now is 156.4 secs Computing kpt #: 316 total cpu time spent up to now is 156.7 secs Computing kpt #: 317 total cpu time spent up to now is 157.1 secs Computing kpt #: 318 total cpu time spent up to now is 157.4 secs Computing kpt #: 319 total cpu time spent up to now is 157.7 secs Computing kpt #: 320 total cpu time spent up to now is 158.0 secs Computing kpt #: 321 total cpu time spent up to now is 158.2 secs Computing kpt #: 322 total cpu time spent up to now is 158.5 secs Computing kpt #: 323 total cpu time spent up to now is 158.7 secs Computing kpt #: 324 total cpu time spent up to now is 159.0 secs Computing kpt #: 325 total cpu time spent up to now is 159.2 secs Computing kpt #: 326 total cpu time spent up to now is 159.5 secs Computing kpt #: 327 total cpu time spent up to now is 159.7 secs Computing kpt #: 328 total cpu time spent up to now is 160.0 secs Computing kpt #: 329 total cpu time spent up to now is 160.2 secs Computing kpt #: 330 total cpu time spent up to now is 160.5 secs Computing kpt #: 331 total cpu time spent up to now is 160.7 secs Computing kpt #: 332 total cpu time spent up to now is 161.0 secs Computing kpt #: 333 total cpu time spent up to now is 161.3 secs Computing kpt #: 334 total cpu time spent up to now is 161.6 secs Computing kpt #: 335 total cpu time spent up to now is 161.9 secs Computing kpt #: 336 total cpu time spent up to now is 162.5 secs Computing kpt #: 337 total cpu time spent up to now is 162.9 secs Computing kpt #: 338 total cpu time spent up to now is 163.3 secs Computing kpt #: 339 total cpu time spent up to now is 163.6 secs Computing kpt #: 340 total cpu time spent up to now is 164.0 secs Computing kpt #: 341 total cpu time spent up to now is 164.2 secs Computing kpt #: 342 total cpu time spent up to now is 164.5 secs Computing kpt #: 343 total cpu time spent up to now is 164.8 secs Computing kpt #: 344 total cpu time spent up to now is 165.1 secs Computing kpt #: 345 total cpu time spent up to now is 165.3 secs Computing kpt #: 346 total cpu time spent up to now is 165.7 secs Computing kpt #: 347 total cpu time spent up to now is 166.0 secs Computing kpt #: 348 total cpu time spent up to now is 166.4 secs Computing kpt #: 349 total cpu time spent up to now is 166.8 secs Computing kpt #: 350 total cpu time spent up to now is 167.2 secs Computing kpt #: 351 total cpu time spent up to now is 167.5 secs Computing kpt #: 352 total cpu time spent up to now is 167.9 secs Computing kpt #: 353 total cpu time spent up to now is 168.4 secs Computing kpt #: 354 total cpu time spent up to now is 168.7 secs Computing kpt #: 355 total cpu time spent up to now is 169.0 secs Computing kpt #: 356 total cpu time spent up to now is 169.4 secs Computing kpt #: 357 total cpu time spent up to now is 169.6 secs Computing kpt #: 358 total cpu time spent up to now is 169.9 secs Computing kpt #: 359 total cpu time spent up to now is 170.3 secs Computing kpt #: 360 total cpu time spent up to now is 170.8 secs Computing kpt #: 361 total cpu time spent up to now is 171.4 secs Computing kpt #: 362 total cpu time spent up to now is 171.7 secs Computing kpt #: 363 total cpu time spent up to now is 172.0 secs Computing kpt #: 364 total cpu time spent up to now is 172.3 secs Computing kpt #: 365 total cpu time spent up to now is 172.5 secs Computing kpt #: 366 total cpu time spent up to now is 172.8 secs Computing kpt #: 367 total cpu time spent up to now is 173.1 secs Computing kpt #: 368 total cpu time spent up to now is 173.3 secs Computing kpt #: 369 total cpu time spent up to now is 173.7 secs Computing kpt #: 370 total cpu time spent up to now is 174.1 secs Computing kpt #: 371 total cpu time spent up to now is 174.4 secs Computing kpt #: 372 total cpu time spent up to now is 174.8 secs Computing kpt #: 373 total cpu time spent up to now is 175.3 secs Computing kpt #: 374 total cpu time spent up to now is 175.6 secs Computing kpt #: 375 total cpu time spent up to now is 175.8 secs Computing kpt #: 376 total cpu time spent up to now is 176.1 secs Computing kpt #: 377 total cpu time spent up to now is 176.4 secs Computing kpt #: 378 total cpu time spent up to now is 176.6 secs Computing kpt #: 379 total cpu time spent up to now is 176.9 secs Computing kpt #: 380 total cpu time spent up to now is 177.2 secs Computing kpt #: 381 total cpu time spent up to now is 177.4 secs Computing kpt #: 382 total cpu time spent up to now is 177.7 secs Computing kpt #: 383 total cpu time spent up to now is 178.0 secs Computing kpt #: 384 total cpu time spent up to now is 178.3 secs Computing kpt #: 385 total cpu time spent up to now is 178.6 secs Computing kpt #: 386 total cpu time spent up to now is 178.8 secs Computing kpt #: 387 total cpu time spent up to now is 179.1 secs Computing kpt #: 388 total cpu time spent up to now is 179.4 secs Computing kpt #: 389 total cpu time spent up to now is 179.8 secs Computing kpt #: 390 total cpu time spent up to now is 180.3 secs Computing kpt #: 391 total cpu time spent up to now is 180.6 secs Computing kpt #: 392 total cpu time spent up to now is 181.1 secs Computing kpt #: 393 total cpu time spent up to now is 181.5 secs Computing kpt #: 394 total cpu time spent up to now is 182.0 secs Computing kpt #: 395 total cpu time spent up to now is 182.3 secs Computing kpt #: 396 total cpu time spent up to now is 182.7 secs Computing kpt #: 397 total cpu time spent up to now is 183.0 secs Computing kpt #: 398 total cpu time spent up to now is 183.3 secs Computing kpt #: 399 total cpu time spent up to now is 183.6 secs Computing kpt #: 400 total cpu time spent up to now is 183.9 secs Computing kpt #: 401 total cpu time spent up to now is 184.2 secs Computing kpt #: 402 total cpu time spent up to now is 184.5 secs Computing kpt #: 403 total cpu time spent up to now is 184.7 secs Computing kpt #: 404 total cpu time spent up to now is 185.0 secs Computing kpt #: 405 total cpu time spent up to now is 185.3 secs Computing kpt #: 406 total cpu time spent up to now is 185.7 secs Computing kpt #: 407 total cpu time spent up to now is 185.9 secs Computing kpt #: 408 total cpu time spent up to now is 186.4 secs Computing kpt #: 409 total cpu time spent up to now is 186.7 secs Computing kpt #: 410 total cpu time spent up to now is 187.1 secs Computing kpt #: 411 total cpu time spent up to now is 187.4 secs Computing kpt #: 412 total cpu time spent up to now is 187.7 secs Computing kpt #: 413 total cpu time spent up to now is 188.0 secs Computing kpt #: 414 total cpu time spent up to now is 188.5 secs Computing kpt #: 415 total cpu time spent up to now is 188.7 secs Computing kpt #: 416 total cpu time spent up to now is 189.0 secs Computing kpt #: 417 total cpu time spent up to now is 189.3 secs Computing kpt #: 418 total cpu time spent up to now is 189.6 secs Computing kpt #: 419 total cpu time spent up to now is 190.1 secs Computing kpt #: 420 total cpu time spent up to now is 190.4 secs Computing kpt #: 421 total cpu time spent up to now is 190.6 secs Computing kpt #: 422 total cpu time spent up to now is 190.9 secs Computing kpt #: 423 total cpu time spent up to now is 191.1 secs Computing kpt #: 424 total cpu time spent up to now is 191.3 secs Computing kpt #: 425 total cpu time spent up to now is 191.6 secs Computing kpt #: 426 total cpu time spent up to now is 191.8 secs Computing kpt #: 427 total cpu time spent up to now is 192.0 secs Computing kpt #: 428 total cpu time spent up to now is 192.3 secs Computing kpt #: 429 total cpu time spent up to now is 192.5 secs Computing kpt #: 430 total cpu time spent up to now is 192.9 secs Computing kpt #: 431 total cpu time spent up to now is 193.1 secs Computing kpt #: 432 total cpu time spent up to now is 193.4 secs Computing kpt #: 433 total cpu time spent up to now is 194.2 secs Computing kpt #: 434 total cpu time spent up to now is 194.4 secs Computing kpt #: 435 total cpu time spent up to now is 194.9 secs Computing kpt #: 436 total cpu time spent up to now is 195.4 secs Computing kpt #: 437 total cpu time spent up to now is 195.7 secs Computing kpt #: 438 total cpu time spent up to now is 196.1 secs Computing kpt #: 439 total cpu time spent up to now is 196.4 secs Computing kpt #: 440 total cpu time spent up to now is 196.7 secs Computing kpt #: 441 total cpu time spent up to now is 196.9 secs Computing kpt #: 442 total cpu time spent up to now is 197.2 secs Computing kpt #: 443 total cpu time spent up to now is 197.5 secs Computing kpt #: 444 total cpu time spent up to now is 197.7 secs Computing kpt #: 445 total cpu time spent up to now is 198.0 secs Computing kpt #: 446 total cpu time spent up to now is 198.5 secs Computing kpt #: 447 total cpu time spent up to now is 198.9 secs Computing kpt #: 448 total cpu time spent up to now is 199.4 secs Computing kpt #: 449 total cpu time spent up to now is 199.7 secs Computing kpt #: 450 total cpu time spent up to now is 200.1 secs Computing kpt #: 451 total cpu time spent up to now is 200.4 secs Computing kpt #: 452 total cpu time spent up to now is 200.9 secs Computing kpt #: 453 total cpu time spent up to now is 201.2 secs Computing kpt #: 454 total cpu time spent up to now is 201.5 secs Computing kpt #: 455 total cpu time spent up to now is 201.8 secs Computing kpt #: 456 total cpu time spent up to now is 202.1 secs Computing kpt #: 457 total cpu time spent up to now is 202.4 secs Computing kpt #: 458 total cpu time spent up to now is 202.7 secs Computing kpt #: 459 total cpu time spent up to now is 203.0 secs Computing kpt #: 460 total cpu time spent up to now is 203.2 secs Computing kpt #: 461 total cpu time spent up to now is 203.5 secs Computing kpt #: 462 total cpu time spent up to now is 203.8 secs Computing kpt #: 463 total cpu time spent up to now is 204.1 secs Computing kpt #: 464 total cpu time spent up to now is 204.4 secs Computing kpt #: 465 total cpu time spent up to now is 204.7 secs Computing kpt #: 466 total cpu time spent up to now is 205.0 secs Computing kpt #: 467 total cpu time spent up to now is 205.3 secs Computing kpt #: 468 total cpu time spent up to now is 205.6 secs Computing kpt #: 469 total cpu time spent up to now is 205.9 secs Computing kpt #: 470 total cpu time spent up to now is 206.1 secs Computing kpt #: 471 total cpu time spent up to now is 206.4 secs Computing kpt #: 472 total cpu time spent up to now is 206.6 secs Computing kpt #: 473 total cpu time spent up to now is 206.8 secs Computing kpt #: 474 total cpu time spent up to now is 207.1 secs Computing kpt #: 475 total cpu time spent up to now is 207.3 secs Computing kpt #: 476 total cpu time spent up to now is 207.6 secs Computing kpt #: 477 total cpu time spent up to now is 207.8 secs Computing kpt #: 478 total cpu time spent up to now is 208.1 secs Computing kpt #: 479 total cpu time spent up to now is 208.4 secs Computing kpt #: 480 total cpu time spent up to now is 208.6 secs Computing kpt #: 481 total cpu time spent up to now is 209.1 secs Computing kpt #: 482 total cpu time spent up to now is 209.4 secs Computing kpt #: 483 total cpu time spent up to now is 209.7 secs Computing kpt #: 484 total cpu time spent up to now is 210.0 secs Computing kpt #: 485 total cpu time spent up to now is 210.3 secs Computing kpt #: 486 total cpu time spent up to now is 211.0 secs Computing kpt #: 487 total cpu time spent up to now is 211.3 secs Computing kpt #: 488 total cpu time spent up to now is 211.7 secs Computing kpt #: 489 total cpu time spent up to now is 212.0 secs Computing kpt #: 490 total cpu time spent up to now is 212.3 secs Computing kpt #: 491 total cpu time spent up to now is 212.7 secs Computing kpt #: 492 total cpu time spent up to now is 213.0 secs Computing kpt #: 493 total cpu time spent up to now is 213.4 secs Computing kpt #: 494 total cpu time spent up to now is 213.7 secs Computing kpt #: 495 total cpu time spent up to now is 214.0 secs Computing kpt #: 496 total cpu time spent up to now is 214.3 secs Computing kpt #: 497 total cpu time spent up to now is 214.5 secs Computing kpt #: 498 total cpu time spent up to now is 214.8 secs Computing kpt #: 499 total cpu time spent up to now is 215.1 secs Computing kpt #: 500 total cpu time spent up to now is 215.4 secs Computing kpt #: 501 total cpu time spent up to now is 215.7 secs Computing kpt #: 502 total cpu time spent up to now is 216.0 secs Computing kpt #: 503 total cpu time spent up to now is 216.4 secs Computing kpt #: 504 total cpu time spent up to now is 216.9 secs Computing kpt #: 505 total cpu time spent up to now is 217.2 secs Computing kpt #: 506 total cpu time spent up to now is 217.5 secs Computing kpt #: 507 total cpu time spent up to now is 217.8 secs Computing kpt #: 508 total cpu time spent up to now is 218.2 secs Computing kpt #: 509 total cpu time spent up to now is 218.5 secs Computing kpt #: 510 total cpu time spent up to now is 218.9 secs Computing kpt #: 511 total cpu time spent up to now is 219.3 secs Computing kpt #: 512 total cpu time spent up to now is 219.6 secs Computing kpt #: 513 total cpu time spent up to now is 219.9 secs Computing kpt #: 514 total cpu time spent up to now is 220.2 secs Computing kpt #: 515 total cpu time spent up to now is 220.4 secs Computing kpt #: 516 total cpu time spent up to now is 220.7 secs Computing kpt #: 517 total cpu time spent up to now is 221.1 secs Computing kpt #: 518 total cpu time spent up to now is 221.4 secs Computing kpt #: 519 total cpu time spent up to now is 221.7 secs Computing kpt #: 520 total cpu time spent up to now is 222.1 secs Computing kpt #: 521 total cpu time spent up to now is 222.6 secs Computing kpt #: 522 total cpu time spent up to now is 223.0 secs Computing kpt #: 523 total cpu time spent up to now is 223.4 secs Computing kpt #: 524 total cpu time spent up to now is 223.8 secs Computing kpt #: 525 total cpu time spent up to now is 224.2 secs Computing kpt #: 526 total cpu time spent up to now is 224.6 secs Computing kpt #: 527 total cpu time spent up to now is 224.9 secs ethr = 5.00E-11, avg # of iterations = 16.2 total cpu time spent up to now is 225.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1749 PWs) bands (ev): -15.5116 -15.5116 -5.0832 -5.0832 -5.0348 -5.0348 -2.9402 -2.9402 -2.9060 -2.9060 -2.8017 -2.8017 0.8201 0.8201 2.7724 2.7724 3.0058 3.0058 3.1861 3.1861 13.2238 13.2238 15.8571 15.8571 17.0042 17.0042 18.1823 18.1823 k = 0.0086-0.0059 0.0075 ( 1745 PWs) bands (ev): -15.5115 -15.5115 -5.0832 -5.0832 -5.0347 -5.0347 -2.9401 -2.9401 -2.9060 -2.9060 -2.8018 -2.8018 0.8193 0.8193 2.7723 2.7723 3.0086 3.0086 3.1861 3.1861 13.2198 13.2198 15.8466 15.8466 16.9898 16.9898 18.1606 18.1606 k = 0.0172-0.0118 0.0150 ( 1749 PWs) bands (ev): -15.5113 -15.5113 -5.0832 -5.0832 -5.0346 -5.0346 -2.9400 -2.9400 -2.9062 -2.9062 -2.8021 -2.8021 0.8170 0.8170 2.7719 2.7719 3.0171 3.0171 3.1860 3.1860 13.2078 13.2078 15.8155 15.8155 16.9482 16.9482 18.1019 18.1019 k = 0.0259-0.0177 0.0225 ( 1749 PWs) bands (ev): -15.5109 -15.5109 -5.0833 -5.0833 -5.0345 -5.0345 -2.9397 -2.9397 -2.9064 -2.9064 -2.8025 -2.8025 0.8132 0.8132 2.7712 2.7712 3.0312 3.0312 3.1860 3.1860 13.1879 13.1879 15.7647 15.7647 16.8830 16.8830 18.0187 18.0187 k = 0.0345-0.0236 0.0300 ( 1747 PWs) bands (ev): -15.5104 -15.5104 -5.0834 -5.0834 -5.0342 -5.0342 -2.9392 -2.9392 -2.9066 -2.9066 -2.8031 -2.8031 0.8082 0.8082 2.7701 2.7701 3.0506 3.0506 3.1860 3.1860 13.1603 13.1603 15.6959 15.6959 16.7992 16.7992 17.9214 17.9214 k = 0.0431-0.0295 0.0375 ( 1747 PWs) bands (ev): -15.5097 -15.5097 -5.0835 -5.0835 -5.0339 -5.0339 -2.9387 -2.9387 -2.9070 -2.9070 -2.8037 -2.8037 0.8019 0.8019 2.7686 2.7686 3.0751 3.0751 3.1861 3.1861 13.1251 13.1251 15.6109 15.6109 16.7014 16.7014 17.8164 17.8164 k = 0.0517-0.0354 0.0450 ( 1747 PWs) bands (ev): -15.5089 -15.5089 -5.0836 -5.0836 -5.0335 -5.0335 -2.9381 -2.9381 -2.9074 -2.9074 -2.8045 -2.8045 0.7948 0.7948 2.7666 2.7666 3.1042 3.1042 3.1868 3.1868 13.0825 13.0825 15.5117 15.5117 16.5939 16.5939 17.7075 17.7075 k = 0.0603-0.0413 0.0525 ( 1743 PWs) bands (ev): -15.5080 -15.5080 -5.0838 -5.0838 -5.0330 -5.0330 -2.9374 -2.9374 -2.9078 -2.9078 -2.8054 -2.8054 0.7869 0.7869 2.7640 2.7640 3.1361 3.1361 3.1892 3.1892 13.0328 13.0328 15.4005 15.4005 16.4800 16.4800 17.5969 17.5969 k = 0.0690-0.0472 0.0600 ( 1751 PWs) bands (ev): -15.5069 -15.5069 -5.0840 -5.0840 -5.0326 -5.0326 -2.9366 -2.9366 -2.9083 -2.9083 -2.8064 -2.8064 0.7786 0.7786 2.7609 2.7609 3.1634 3.1634 3.2005 3.2005 12.9762 12.9762 15.2792 15.2792 16.3624 16.3624 17.4860 17.4860 k = 0.0776-0.0531 0.0675 ( 1755 PWs) bands (ev): -15.5057 -15.5057 -5.0841 -5.0841 -5.0320 -5.0320 -2.9358 -2.9358 -2.9088 -2.9088 -2.8073 -2.8073 0.7701 0.7701 2.7572 2.7572 3.1734 3.1734 3.2331 3.2331 12.9129 12.9129 15.1499 15.1499 16.2429 16.2429 17.3756 17.3756 k = 0.0862-0.0590 0.0750 ( 1753 PWs) bands (ev): -15.5044 -15.5044 -5.0843 -5.0843 -5.0313 -5.0313 -2.9350 -2.9350 -2.9092 -2.9092 -2.8082 -2.8082 0.7616 0.7616 2.7529 2.7529 3.1753 3.1753 3.2773 3.2773 12.8432 12.8432 15.0145 15.0145 16.1230 16.1230 17.2663 17.2663 k = 0.0948-0.0649 0.0824 ( 1745 PWs) bands (ev): -15.5030 -15.5030 -5.0844 -5.0844 -5.0305 -5.0305 -2.9341 -2.9341 -2.9096 -2.9096 -2.8090 -2.8090 0.7534 0.7534 2.7481 2.7481 3.1752 3.1752 3.3265 3.3265 12.7673 12.7673 14.8747 14.8747 16.0038 16.0038 17.1586 17.1586 k = 0.1034-0.0708 0.0899 ( 1741 PWs) bands (ev): -15.5014 -15.5014 -5.0845 -5.0845 -5.0296 -5.0296 -2.9333 -2.9333 -2.9099 -2.9099 -2.8098 -2.8098 0.7457 0.7457 2.7428 2.7428 3.1744 3.1744 3.3790 3.3790 12.6852 12.6852 14.7323 14.7323 15.8858 15.8858 17.0526 17.0526 k = 0.1121-0.0767 0.0974 ( 1741 PWs) bands (ev): -15.4998 -15.4998 -5.0846 -5.0846 -5.0287 -5.0287 -2.9325 -2.9325 -2.9102 -2.9102 -2.8104 -2.8104 0.7387 0.7387 2.7369 2.7369 3.1731 3.1731 3.4340 3.4340 12.5973 12.5973 14.5888 14.5888 15.7697 15.7697 16.9485 16.9485 k = 0.1207-0.0826 0.1049 ( 1737 PWs) bands (ev): -15.4981 -15.4981 -5.0846 -5.0846 -5.0277 -5.0277 -2.9318 -2.9318 -2.9103 -2.9103 -2.8108 -2.8108 0.7326 0.7326 2.7305 2.7305 3.1715 3.1715 3.4910 3.4910 12.5036 12.5036 14.4456 14.4456 15.6558 15.6558 16.8465 16.8465 k = 0.1293-0.0885 0.1124 ( 1741 PWs) bands (ev): -15.4963 -15.4963 -5.0847 -5.0847 -5.0266 -5.0266 -2.9313 -2.9313 -2.9102 -2.9102 -2.8110 -2.8110 0.7276 0.7276 2.7236 2.7236 3.1696 3.1696 3.5495 3.5495 12.4044 12.4044 14.3041 14.3041 15.5444 15.5444 16.7467 16.7467 k = 0.1379-0.0944 0.1199 ( 1741 PWs) bands (ev): -15.4945 -15.4945 -5.0847 -5.0847 -5.0254 -5.0254 -2.9308 -2.9308 -2.9100 -2.9100 -2.8110 -2.8110 0.7238 0.7238 2.7161 2.7161 3.1675 3.1675 3.6090 3.6090 12.2998 12.2998 14.1654 14.1654 15.4355 15.4355 16.6492 16.6492 k = 0.1466-0.1003 0.1274 ( 1746 PWs) bands (ev): -15.4925 -15.4925 -5.0847 -5.0847 -5.0242 -5.0242 -2.9305 -2.9305 -2.9095 -2.9095 -2.8107 -2.8107 0.7214 0.7214 2.7082 2.7082 3.1651 3.1651 3.6689 3.6689 12.1902 12.1902 14.0305 14.0305 15.3294 15.3294 16.5539 16.5539 k = 0.1552-0.1062 0.1349 ( 1738 PWs) bands (ev): -15.4906 -15.4906 -5.0845 -5.0845 -5.0228 -5.0228 -2.9302 -2.9302 -2.9089 -2.9089 -2.8101 -2.8101 0.7205 0.7205 2.6998 2.6998 3.1625 3.1625 3.7290 3.7290 12.0758 12.0758 13.9001 13.9001 15.2260 15.2260 16.4610 16.4610 k = 0.1638-0.1121 0.1424 ( 1734 PWs) bands (ev): -15.4886 -15.4886 -5.0843 -5.0843 -5.0213 -5.0213 -2.9300 -2.9300 -2.9081 -2.9081 -2.8092 -2.8092 0.7212 0.7212 2.6909 2.6909 3.1596 3.1596 3.7887 3.7887 11.9573 11.9573 13.7748 13.7748 15.1256 15.1256 16.3705 16.3705 k = 0.1724-0.1180 0.1499 ( 1734 PWs) bands (ev): -15.4865 -15.4865 -5.0841 -5.0841 -5.0197 -5.0197 -2.9298 -2.9298 -2.9072 -2.9072 -2.8079 -2.8079 0.7236 0.7236 2.6815 2.6815 3.1564 3.1564 3.8475 3.8475 11.8351 11.8351 13.6550 13.6550 15.0280 15.0280 16.2824 16.2824 k = 0.1810-0.1239 0.1574 ( 1734 PWs) bands (ev): -15.4845 -15.4845 -5.0838 -5.0838 -5.0180 -5.0180 -2.9296 -2.9296 -2.9063 -2.9063 -2.8062 -2.8062 0.7277 0.7277 2.6717 2.6717 3.1530 3.1530 3.9051 3.9051 11.7099 11.7099 13.5410 13.5410 14.9334 14.9334 16.1966 16.1966 k = 0.1897-0.1298 0.1649 ( 1736 PWs) bands (ev): -15.4824 -15.4824 -5.0834 -5.0834 -5.0162 -5.0162 -2.9292 -2.9292 -2.9052 -2.9052 -2.8042 -2.8042 0.7337 0.7337 2.6615 2.6615 3.1493 3.1493 3.9608 3.9608 11.5825 11.5825 13.4329 13.4329 14.8418 14.8418 16.1133 16.1133 k = 0.1983-0.1357 0.1724 ( 1736 PWs) bands (ev): -15.4803 -15.4803 -5.0830 -5.0830 -5.0143 -5.0143 -2.9287 -2.9287 -2.9042 -2.9042 -2.8019 -2.8019 0.7415 0.7415 2.6509 2.6509 3.1454 3.1454 4.0143 4.0143 11.4537 11.4537 13.3306 13.3306 14.7531 14.7531 16.0324 16.0324 k = 0.2069-0.1416 0.1799 ( 1732 PWs) bands (ev): -15.4782 -15.4782 -5.0824 -5.0824 -5.0122 -5.0122 -2.9281 -2.9281 -2.9031 -2.9031 -2.7991 -2.7991 0.7513 0.7513 2.6399 2.6399 3.1411 3.1411 4.0651 4.0651 11.3243 11.3243 13.2340 13.2340 14.6674 14.6674 15.9539 15.9539 k = 0.2155-0.1475 0.1874 ( 1736 PWs) bands (ev): -15.4762 -15.4762 -5.0819 -5.0819 -5.0100 -5.0100 -2.9273 -2.9273 -2.9021 -2.9021 -2.7960 -2.7960 0.7630 0.7630 2.6285 2.6285 3.1366 3.1366 4.1127 4.1127 11.1953 11.1953 13.1428 13.1428 14.5847 14.5847 15.8778 15.8778 k = 0.2241-0.1534 0.1949 ( 1736 PWs) bands (ev): -15.4741 -15.4741 -5.0812 -5.0812 -5.0077 -5.0077 -2.9262 -2.9262 -2.9010 -2.9010 -2.7925 -2.7925 0.7768 0.7768 2.6168 2.6168 3.1319 3.1319 4.1567 4.1567 11.0675 11.0675 13.0569 13.0569 14.5049 14.5049 15.8041 15.8041 k = 0.2328-0.1593 0.2024 ( 1740 PWs) bands (ev): -15.4721 -15.4721 -5.0805 -5.0805 -5.0053 -5.0053 -2.9250 -2.9250 -2.8999 -2.8999 -2.7886 -2.7886 0.7925 0.7925 2.6047 2.6047 3.1269 3.1269 4.1966 4.1966 10.9418 10.9418 12.9760 12.9760 14.4282 14.4282 15.7329 15.7329 k = 0.2414-0.1652 0.2099 ( 1740 PWs) bands (ev): -15.4702 -15.4702 -5.0797 -5.0797 -5.0027 -5.0027 -2.9236 -2.9236 -2.8987 -2.8987 -2.7845 -2.7845 0.8103 0.8103 2.5924 2.5924 3.1217 3.1217 4.2320 4.2320 10.8190 10.8190 12.8998 12.8998 14.3543 14.3543 15.6640 15.6640 k = 0.2500-0.1711 0.2174 ( 1742 PWs) bands (ev): -15.4682 -15.4682 -5.0789 -5.0789 -5.0001 -5.0001 -2.9221 -2.9221 -2.8975 -2.8975 -2.7800 -2.7800 0.8302 0.8302 2.5799 2.5799 3.1162 3.1162 4.2623 4.2623 10.6999 10.6999 12.8281 12.8281 14.2835 14.2835 15.5975 15.5975 k = 0.2586-0.1770 0.2249 ( 1742 PWs) bands (ev): -15.4663 -15.4663 -5.0781 -5.0781 -4.9972 -4.9972 -2.9204 -2.9204 -2.8961 -2.8961 -2.7752 -2.7752 0.8521 0.8521 2.5672 2.5672 3.1105 3.1105 4.2873 4.2873 10.5852 10.5852 12.7606 12.7606 14.2155 14.2155 15.5334 15.5334 k = 0.2672-0.1829 0.2323 ( 1750 PWs) bands (ev): -15.4645 -15.4645 -5.0772 -5.0772 -4.9943 -4.9943 -2.9187 -2.9187 -2.8946 -2.8946 -2.7702 -2.7702 0.8761 0.8761 2.5542 2.5542 3.1047 3.1047 4.3066 4.3066 10.4756 10.4756 12.6971 12.6971 14.1505 14.1505 15.4716 15.4716 k = 0.2759-0.1888 0.2398 ( 1750 PWs) bands (ev): -15.4627 -15.4627 -5.0763 -5.0763 -4.9912 -4.9912 -2.9170 -2.9170 -2.8929 -2.8929 -2.7649 -2.7649 0.9021 0.9021 2.5412 2.5412 3.0987 3.0987 4.3198 4.3198 10.3716 10.3716 12.6374 12.6374 14.0883 14.0883 15.4123 15.4123 k = 0.2845-0.1947 0.2473 ( 1756 PWs) bands (ev): -15.4610 -15.4610 -5.0753 -5.0753 -4.9880 -4.9880 -2.9153 -2.9153 -2.8909 -2.8909 -2.7594 -2.7594 0.9302 0.9302 2.5281 2.5281 3.0925 3.0925 4.3267 4.3267 10.2736 10.2736 12.5812 12.5812 14.0289 14.0289 15.3552 15.3552 k = 0.2931-0.2006 0.2548 ( 1756 PWs) bands (ev): -15.4594 -15.4594 -5.0744 -5.0744 -4.9847 -4.9847 -2.9137 -2.9137 -2.8886 -2.8886 -2.7537 -2.7537 0.9603 0.9603 2.5149 2.5149 3.0862 3.0862 4.3270 4.3270 10.1821 10.1821 12.5285 12.5285 13.9724 13.9724 15.3006 15.3006 k = 0.3017-0.2065 0.2623 ( 1760 PWs) bands (ev): -15.4578 -15.4578 -5.0734 -5.0734 -4.9813 -4.9813 -2.9123 -2.9123 -2.8860 -2.8860 -2.7479 -2.7479 0.9925 0.9925 2.5018 2.5018 3.0798 3.0798 4.3207 4.3207 10.0973 10.0973 12.4790 12.4790 13.9186 13.9186 15.2482 15.2482 k = 0.3103-0.2124 0.2698 ( 1760 PWs) bands (ev): -15.4563 -15.4563 -5.0724 -5.0724 -4.9778 -4.9778 -2.9110 -2.9110 -2.8830 -2.8830 -2.7418 -2.7418 1.0267 1.0267 2.4887 2.4887 3.0733 3.0733 4.3077 4.3077 10.0195 10.0195 12.4326 12.4326 13.8675 13.8675 15.1982 15.1982 k = 0.3190-0.2183 0.2773 ( 1760 PWs) bands (ev): -15.4549 -15.4549 -5.0715 -5.0715 -4.9741 -4.9741 -2.9099 -2.9099 -2.8797 -2.8797 -2.7357 -2.7357 1.0628 1.0628 2.4757 2.4757 3.0668 3.0668 4.2881 4.2881 9.9487 9.9487 12.3891 12.3891 13.8192 13.8192 15.1505 15.1505 k = 0.3276-0.2242 0.2848 ( 1764 PWs) bands (ev): -15.4535 -15.4535 -5.0706 -5.0706 -4.9705 -4.9705 -2.9090 -2.9090 -2.8761 -2.8761 -2.7295 -2.7295 1.1009 1.1009 2.4629 2.4629 3.0603 3.0603 4.2619 4.2619 9.8848 9.8848 12.3484 12.3484 13.7734 13.7734 15.1051 15.1051 k = 0.3362-0.2301 0.2923 ( 1764 PWs) bands (ev): -15.4523 -15.4523 -5.0696 -5.0696 -4.9668 -4.9668 -2.9082 -2.9082 -2.8723 -2.8723 -2.7233 -2.7233 1.1409 1.1409 2.4503 2.4503 3.0538 3.0538 4.2296 4.2296 9.8278 9.8278 12.3105 12.3105 13.7303 13.7303 15.0619 15.0619 k = 0.3448-0.2360 0.2998 ( 1768 PWs) bands (ev): -15.4511 -15.4511 -5.0688 -5.0688 -4.9631 -4.9631 -2.9076 -2.9076 -2.8684 -2.8684 -2.7171 -2.7171 1.1827 1.1827 2.4380 2.4380 3.0474 3.0474 4.1912 4.1912 9.7774 9.7774 12.2751 12.2751 13.6898 13.6898 15.0211 15.0211 k = 0.3534-0.2419 0.3073 ( 1772 PWs) bands (ev): -15.4499 -15.4499 -5.0679 -5.0679 -4.9594 -4.9594 -2.9070 -2.9070 -2.8643 -2.8643 -2.7109 -2.7109 1.2262 1.2262 2.4260 2.4260 3.0410 3.0410 4.1473 4.1473 9.7334 9.7334 12.2423 12.2423 13.6517 13.6517 14.9825 14.9825 k = 0.3621-0.2478 0.3148 ( 1772 PWs) bands (ev): -15.4489 -15.4489 -5.0671 -5.0671 -4.9557 -4.9557 -2.9066 -2.9066 -2.8602 -2.8602 -2.7048 -2.7048 1.2713 1.2713 2.4144 2.4144 3.0348 3.0348 4.0984 4.0984 9.6954 9.6954 12.2118 12.2118 13.6162 13.6162 14.9462 14.9462 k = 0.3707-0.2537 0.3223 ( 1772 PWs) bands (ev): -15.4479 -15.4479 -5.0663 -5.0663 -4.9521 -4.9521 -2.9062 -2.9062 -2.8560 -2.8560 -2.6987 -2.6987 1.3179 1.3179 2.4032 2.4032 3.0288 3.0288 4.0450 4.0450 9.6629 9.6629 12.1837 12.1837 13.5830 13.5830 14.9121 14.9121 k = 0.3793-0.2596 0.3298 ( 1772 PWs) bands (ev): -15.4470 -15.4470 -5.0656 -5.0656 -4.9485 -4.9485 -2.9059 -2.9059 -2.8519 -2.8519 -2.6928 -2.6928 1.3658 1.3658 2.3925 2.3925 3.0229 3.0229 3.9877 3.9877 9.6355 9.6355 12.1577 12.1577 13.5523 13.5523 14.8803 14.8803 k = 0.3879-0.2655 0.3373 ( 1768 PWs) bands (ev): -15.4462 -15.4462 -5.0649 -5.0649 -4.9450 -4.9450 -2.9056 -2.9056 -2.8479 -2.8479 -2.6870 -2.6870 1.4148 1.4148 2.3824 2.3824 3.0173 3.0173 3.9274 3.9274 9.6127 9.6127 12.1339 12.1339 13.5239 13.5239 14.8507 14.8507 k = 0.3966-0.2714 0.3448 ( 1782 PWs) bands (ev): -15.4454 -15.4454 -5.0643 -5.0643 -4.9418 -4.9418 -2.9054 -2.9054 -2.8441 -2.8441 -2.6816 -2.6816 1.4646 1.4646 2.3728 2.3728 3.0119 3.0119 3.8645 3.8645 9.5940 9.5940 12.1122 12.1122 13.4977 13.4977 14.8233 14.8233 k = 0.4052-0.2773 0.3523 ( 1774 PWs) bands (ev): -15.4447 -15.4447 -5.0637 -5.0637 -4.9386 -4.9386 -2.9052 -2.9052 -2.8403 -2.8403 -2.6763 -2.6763 1.5150 1.5150 2.3639 2.3639 3.0069 3.0069 3.8001 3.8001 9.5789 9.5789 12.0925 12.0925 13.4739 13.4739 14.7982 14.7982 k = 0.4138-0.2832 0.3598 ( 1774 PWs) bands (ev): -15.4441 -15.4441 -5.0632 -5.0632 -4.9356 -4.9356 -2.9050 -2.9050 -2.8368 -2.8368 -2.6714 -2.6714 1.5655 1.5655 2.3557 2.3557 3.0021 3.0021 3.7350 3.7350 9.5670 9.5670 12.0747 12.0747 13.4522 13.4522 14.7753 14.7753 k = 0.4224-0.2891 0.3673 ( 1774 PWs) bands (ev): -15.4435 -15.4435 -5.0627 -5.0627 -4.9328 -4.9328 -2.9049 -2.9049 -2.8336 -2.8336 -2.6667 -2.6667 1.6155 1.6155 2.3483 2.3483 2.9978 2.9978 3.6700 3.6700 9.5577 9.5577 12.0588 12.0588 13.4327 13.4327 14.7545 14.7545 k = 0.4310-0.2950 0.3748 ( 1774 PWs) bands (ev): -15.4430 -15.4430 -5.0622 -5.0622 -4.9302 -4.9302 -2.9048 -2.9048 -2.8306 -2.8306 -2.6625 -2.6625 1.6646 1.6646 2.3417 2.3417 2.9938 2.9938 3.6063 3.6063 9.5507 9.5507 12.0448 12.0448 13.4154 13.4154 14.7360 14.7360 k = 0.4397-0.3009 0.3823 ( 1780 PWs) bands (ev): -15.4426 -15.4426 -5.0619 -5.0619 -4.9279 -4.9279 -2.9047 -2.9047 -2.8279 -2.8279 -2.6587 -2.6587 1.7119 1.7119 2.3359 2.3359 2.9902 2.9902 3.5449 3.5449 9.5455 9.5455 12.0325 12.0325 13.4002 13.4002 14.7197 14.7197 k = 0.4483-0.3068 0.3897 ( 1780 PWs) bands (ev): -15.4423 -15.4423 -5.0615 -5.0615 -4.9259 -4.9259 -2.9046 -2.9046 -2.8255 -2.8255 -2.6553 -2.6553 1.7565 1.7565 2.3311 2.3311 2.9871 2.9871 3.4872 3.4872 9.5417 9.5417 12.0219 12.0219 13.3871 13.3871 14.7055 14.7055 k = 0.4569-0.3127 0.3972 ( 1782 PWs) bands (ev): -15.4420 -15.4420 -5.0613 -5.0613 -4.9241 -4.9241 -2.9045 -2.9045 -2.8235 -2.8235 -2.6523 -2.6523 1.7974 1.7974 2.3271 2.3271 2.9844 2.9844 3.4345 3.4345 9.5391 9.5391 12.0130 12.0130 13.3760 13.3760 14.6935 14.6935 k = 0.4655-0.3186 0.4047 ( 1786 PWs) bands (ev): -15.4417 -15.4417 -5.0610 -5.0610 -4.9227 -4.9227 -2.9045 -2.9045 -2.8218 -2.8218 -2.6499 -2.6499 1.8334 1.8334 2.3240 2.3240 2.9822 2.9822 3.3882 3.3882 9.5373 9.5373 12.0058 12.0058 13.3670 13.3670 14.6838 14.6838 k = 0.4741-0.3245 0.4122 ( 1782 PWs) bands (ev): -15.4415 -15.4415 -5.0608 -5.0608 -4.9215 -4.9215 -2.9044 -2.9044 -2.8204 -2.8204 -2.6480 -2.6480 1.8633 1.8633 2.3218 2.3218 2.9804 2.9804 3.3500 3.3500 9.5362 9.5362 12.0002 12.0002 13.3600 13.3600 14.6761 14.6761 k = 0.4828-0.3304 0.4197 ( 1776 PWs) bands (ev): -15.4414 -15.4414 -5.0607 -5.0607 -4.9207 -4.9207 -2.9044 -2.9044 -2.8194 -2.8194 -2.6466 -2.6466 1.8857 1.8857 2.3203 2.3203 2.9792 2.9792 3.3213 3.3213 9.5355 9.5355 11.9962 11.9962 13.3550 13.3550 14.6707 14.6707 k = 0.4914-0.3363 0.4272 ( 1772 PWs) bands (ev): -15.4413 -15.4413 -5.0606 -5.0606 -4.9201 -4.9201 -2.9043 -2.9043 -2.8188 -2.8188 -2.6458 -2.6458 1.8996 1.8996 2.3195 2.3195 2.9784 2.9784 3.3035 3.3035 9.5352 9.5352 11.9938 11.9938 13.3520 13.3520 14.6675 14.6675 k = 0.5000-0.3421 0.4347 ( 1772 PWs) bands (ev): -15.4412 -15.4412 -5.0606 -5.0606 -4.9200 -4.9200 -2.9043 -2.9043 -2.8187 -2.8187 -2.6455 -2.6455 1.9044 1.9044 2.3192 2.3192 2.9782 2.9782 3.2975 3.2975 9.5350 9.5350 11.9931 11.9931 13.3511 13.3511 14.6664 14.6664 k = 0.5000-0.3421 0.4347 ( 1772 PWs) bands (ev): -15.4412 -15.4412 -5.0606 -5.0606 -4.9200 -4.9200 -2.9043 -2.9043 -2.8187 -2.8187 -2.6455 -2.6455 1.9044 1.9044 2.3192 2.3192 2.9782 2.9782 3.2975 3.2975 9.5350 9.5350 11.9931 11.9931 13.3511 13.3511 14.6664 14.6664 k = 0.5000-0.3321 0.4426 ( 1774 PWs) bands (ev): -15.4412 -15.4412 -5.0606 -5.0606 -4.9201 -4.9201 -2.9044 -2.9044 -2.8187 -2.8187 -2.6459 -2.6459 1.9051 1.9051 2.3129 2.3129 2.9777 2.9777 3.3065 3.3065 9.5355 9.5355 11.9855 11.9855 13.3436 13.3436 14.6803 14.6803 k = 0.5000-0.3221 0.4505 ( 1776 PWs) bands (ev): -15.4411 -15.4411 -5.0606 -5.0606 -4.9207 -4.9207 -2.9048 -2.9048 -2.8186 -2.8186 -2.6474 -2.6474 1.9072 1.9072 2.2945 2.2945 2.9764 2.9764 3.3328 3.3328 9.5368 9.5368 11.9631 11.9631 13.3218 13.3218 14.7212 14.7212 k = 0.5000-0.3121 0.4584 ( 1776 PWs) bands (ev): -15.4409 -15.4409 -5.0606 -5.0606 -4.9216 -4.9216 -2.9053 -2.9053 -2.8186 -2.8186 -2.6498 -2.6498 1.9107 1.9107 2.2661 2.2661 2.9744 2.9744 3.3744 3.3744 9.5391 9.5391 11.9269 11.9269 13.2876 13.2876 14.7866 14.7866 k = 0.5000-0.3021 0.4662 ( 1772 PWs) bands (ev): -15.4407 -15.4407 -5.0605 -5.0605 -4.9228 -4.9228 -2.9060 -2.9060 -2.8185 -2.8185 -2.6531 -2.6531 1.9154 1.9154 2.2300 2.2300 2.9717 2.9717 3.4287 3.4287 9.5422 9.5422 11.8781 11.8781 13.2431 13.2431 14.8731 14.8731 k = 0.5000-0.2921 0.4741 ( 1772 PWs) bands (ev): -15.4404 -15.4404 -5.0605 -5.0605 -4.9243 -4.9243 -2.9069 -2.9069 -2.8183 -2.8183 -2.6572 -2.6572 1.9212 1.9212 2.1887 2.1887 2.9684 2.9684 3.4933 3.4933 9.5461 9.5461 11.8185 11.8185 13.1904 13.1904 14.9776 14.9776 k = 0.5000-0.2821 0.4820 ( 1768 PWs) bands (ev): -15.4400 -15.4400 -5.0605 -5.0605 -4.9262 -4.9262 -2.9080 -2.9080 -2.8182 -2.8182 -2.6622 -2.6622 1.9276 1.9276 2.1447 2.1447 2.9645 2.9645 3.5660 3.5660 9.5509 9.5509 11.7500 11.7500 13.1311 13.1311 15.0970 15.0970 k = 0.5000-0.2721 0.4899 ( 1764 PWs) bands (ev): -15.4396 -15.4396 -5.0605 -5.0605 -4.9283 -4.9283 -2.9093 -2.9093 -2.8181 -2.8181 -2.6680 -2.6680 1.9337 1.9337 2.1002 2.1002 2.9600 2.9600 3.6450 3.6450 9.5564 9.5564 11.6742 11.6742 13.0664 13.0664 15.2290 15.2290 k = 0.5000-0.2621 0.4977 ( 1760 PWs) bands (ev): -15.4392 -15.4392 -5.0604 -5.0604 -4.9308 -4.9308 -2.9107 -2.9107 -2.8179 -2.8179 -2.6745 -2.6745 1.9373 1.9373 2.0589 2.0589 2.9549 2.9549 3.7290 3.7290 9.5626 9.5626 11.5930 11.5930 12.9974 12.9974 15.3715 15.3715 k = 0.5000-0.2521 0.5056 ( 1756 PWs) bands (ev): -15.4387 -15.4387 -5.0604 -5.0604 -4.9335 -4.9335 -2.9122 -2.9122 -2.8177 -2.8177 -2.6817 -2.6817 1.9318 1.9318 2.0280 2.0280 2.9491 2.9491 3.8167 3.8167 9.5695 9.5695 11.5079 11.5079 12.9247 12.9247 15.5232 15.5232 k = 0.5000-0.2421 0.5135 ( 1768 PWs) bands (ev): -15.4382 -15.4382 -5.0604 -5.0604 -4.9365 -4.9365 -2.9139 -2.9139 -2.8175 -2.8175 -2.6896 -2.6896 1.9090 1.9090 2.0163 2.0163 2.9425 2.9425 3.9073 3.9073 9.5768 9.5768 11.4202 11.4202 12.8490 12.8490 15.6827 15.6827 k = 0.5000-0.2320 0.5214 ( 1768 PWs) bands (ev): -15.4376 -15.4376 -5.0604 -5.0604 -4.9397 -4.9397 -2.9156 -2.9156 -2.8172 -2.8172 -2.6980 -2.6980 1.8730 1.8730 2.0203 2.0203 2.9353 2.9353 3.9999 3.9999 9.5846 9.5846 11.3314 11.3314 12.7709 12.7709 15.8492 15.8492 k = 0.5000-0.2220 0.5293 ( 1764 PWs) bands (ev): -15.4370 -15.4370 -5.0604 -5.0604 -4.9430 -4.9430 -2.9173 -2.9173 -2.8169 -2.8169 -2.7068 -2.7068 1.8324 1.8324 2.0316 2.0316 2.9273 2.9273 4.0938 4.0938 9.5925 9.5925 11.2425 11.2425 12.6910 12.6910 16.0218 16.0218 k = 0.5000-0.2120 0.5371 ( 1760 PWs) bands (ev): -15.4364 -15.4364 -5.0603 -5.0603 -4.9465 -4.9465 -2.9191 -2.9191 -2.8166 -2.8166 -2.7160 -2.7160 1.7912 1.7912 2.0464 2.0464 2.9186 2.9186 4.1883 4.1883 9.6005 9.6005 11.1545 11.1545 12.6099 12.6099 16.1999 16.1999 k = 0.5000-0.2020 0.5450 ( 1762 PWs) bands (ev): -15.4358 -15.4358 -5.0603 -5.0603 -4.9502 -4.9502 -2.9209 -2.9209 -2.8164 -2.8164 -2.7256 -2.7256 1.7507 1.7507 2.0633 2.0633 2.9091 2.9091 4.2828 4.2828 9.6082 9.6082 11.0684 11.0684 12.5283 12.5283 16.3830 16.3830 k = 0.5000-0.1920 0.5529 ( 1762 PWs) bands (ev): -15.4352 -15.4352 -5.0602 -5.0602 -4.9540 -4.9540 -2.9226 -2.9226 -2.8160 -2.8160 -2.7353 -2.7353 1.7119 1.7119 2.0818 2.0818 2.8988 2.8988 4.3766 4.3766 9.6153 9.6153 10.9850 10.9850 12.4469 12.4469 16.5707 16.5707 k = 0.5000-0.1820 0.5608 ( 1762 PWs) bands (ev): -15.4347 -15.4347 -5.0601 -5.0601 -4.9578 -4.9578 -2.9243 -2.9243 -2.8157 -2.8157 -2.7453 -2.7453 1.6749 1.6749 2.1015 2.1015 2.8877 2.8877 4.4692 4.4692 9.6214 9.6214 10.9054 10.9054 12.3662 12.3662 16.7626 16.7626 k = 0.5000-0.1720 0.5686 ( 1768 PWs) bands (ev): -15.4341 -15.4341 -5.0601 -5.0601 -4.9618 -4.9618 -2.9260 -2.9260 -2.8153 -2.8153 -2.7553 -2.7553 1.6400 1.6400 2.1221 2.1221 2.8758 2.8758 4.5599 4.5599 9.6260 9.6260 10.8304 10.8304 12.2871 12.2871 16.9584 16.9584 k = 0.5000-0.1620 0.5765 ( 1766 PWs) bands (ev): -15.4336 -15.4336 -5.0600 -5.0600 -4.9657 -4.9657 -2.9274 -2.9274 -2.8150 -2.8150 -2.7653 -2.7653 1.6074 1.6074 2.1436 2.1436 2.8630 2.8630 4.6480 4.6480 9.6285 9.6285 10.7610 10.7610 12.2103 12.2103 17.1579 17.1579 k = 0.5000-0.1520 0.5844 ( 1766 PWs) bands (ev): -15.4332 -15.4332 -5.0598 -5.0598 -4.9696 -4.9696 -2.9287 -2.9287 -2.8146 -2.8146 -2.7752 -2.7752 1.5771 1.5771 2.1658 2.1658 2.8494 2.8494 4.7329 4.7329 9.6282 9.6282 10.6982 10.6982 12.1365 12.1365 17.3609 17.3609 k = 0.5000-0.1420 0.5923 ( 1766 PWs) bands (ev): -15.4327 -15.4327 -5.0596 -5.0596 -4.9734 -4.9734 -2.9298 -2.9298 -2.8142 -2.8142 -2.7850 -2.7850 1.5491 1.5491 2.1886 2.1886 2.8350 2.8350 4.8140 4.8140 9.6245 9.6245 10.6428 10.6428 12.0666 12.0666 17.5670 17.5670 k = 0.5000-0.1320 0.6002 ( 1766 PWs) bands (ev): -15.4324 -15.4324 -5.0594 -5.0594 -4.9772 -4.9772 -2.9306 -2.9306 -2.8139 -2.8139 -2.7945 -2.7945 1.5235 1.5235 2.2118 2.2118 2.8197 2.8197 4.8904 4.8904 9.6167 9.6167 10.5958 10.5958 12.0013 12.0013 17.7762 17.7762 k = 0.5000-0.1219 0.6080 ( 1766 PWs) bands (ev): -15.4321 -15.4321 -5.0592 -5.0592 -4.9809 -4.9809 -2.9312 -2.9312 -2.8138 -2.8138 -2.8036 -2.8036 1.5003 1.5003 2.2354 2.2354 2.8036 2.8036 4.9616 4.9616 9.6043 9.6043 10.5578 10.5578 11.9413 11.9413 17.9883 17.9883 k = 0.5000-0.1119 0.6159 ( 1770 PWs) bands (ev): -15.4319 -15.4319 -5.0588 -5.0588 -4.9845 -4.9845 -2.9315 -2.9315 -2.8155 -2.8155 -2.8106 -2.8106 1.4795 1.4795 2.2592 2.2592 2.7867 2.7867 5.0268 5.0268 9.5871 9.5871 10.5294 10.5294 11.8876 11.8876 18.2031 18.2031 k = 0.5000-0.1019 0.6238 ( 1770 PWs) bands (ev): -15.4317 -15.4317 -5.0584 -5.0584 -4.9880 -4.9880 -2.9315 -2.9315 -2.8227 -2.8227 -2.8117 -2.8117 1.4611 1.4611 2.2832 2.2832 2.7689 2.7689 5.0854 5.0854 9.5650 9.5650 10.5106 10.5106 11.8407 11.8407 18.4205 18.4205 k = 0.5000-0.0919 0.6317 ( 1766 PWs) bands (ev): -15.4316 -15.4316 -5.0579 -5.0579 -4.9913 -4.9913 -2.9311 -2.9311 -2.8308 -2.8308 -2.8114 -2.8114 1.4451 1.4451 2.3072 2.3072 2.7504 2.7504 5.1366 5.1366 9.5386 9.5386 10.5011 10.5011 11.8015 11.8015 18.6403 18.6403 k = 0.5000-0.0819 0.6395 ( 1766 PWs) bands (ev): -15.4317 -15.4317 -5.0574 -5.0574 -4.9945 -4.9945 -2.9304 -2.9304 -2.8387 -2.8387 -2.8110 -2.8110 1.4316 1.4316 2.3313 2.3313 2.7312 2.7312 5.1799 5.1799 9.5083 9.5083 10.5006 10.5006 11.7706 11.7706 18.8623 18.8623 k = 0.5000-0.0819 0.6395 ( 1766 PWs) bands (ev): -15.4317 -15.4317 -5.0574 -5.0574 -4.9945 -4.9945 -2.9304 -2.9304 -2.8387 -2.8387 -2.8110 -2.8110 1.4316 1.4316 2.3313 2.3313 2.7312 2.7312 5.1799 5.1799 9.5083 9.5083 10.5006 10.5006 11.7706 11.7706 18.8623 18.8623 k = 0.4937-0.0706 0.6395 ( 1758 PWs) bands (ev): -15.4317 -15.4317 -5.0569 -5.0569 -4.9967 -4.9967 -2.9296 -2.9296 -2.8441 -2.8441 -2.8105 -2.8105 1.4213 1.4213 2.3506 2.3506 2.7176 2.7176 5.2055 5.2055 9.4847 9.4847 10.5022 10.5022 11.7589 11.7589 19.0181 19.0181 k = 0.4874-0.0594 0.6395 ( 1760 PWs) bands (ev): -15.4318 -15.4318 -5.0565 -5.0565 -4.9989 -4.9989 -2.9289 -2.9289 -2.8495 -2.8495 -2.8102 -2.8102 1.4079 1.4079 2.3748 2.3748 2.7042 2.7042 5.2280 5.2280 9.4586 9.4586 10.5008 10.5008 11.7617 11.7617 19.1756 19.1756 k = 0.4811-0.0481 0.6395 ( 1760 PWs) bands (ev): -15.4320 -15.4320 -5.0560 -5.0560 -5.0011 -5.0011 -2.9281 -2.9281 -2.8547 -2.8547 -2.8099 -2.8099 1.3920 1.3920 2.4033 2.4033 2.6910 2.6910 5.2471 5.2471 9.4308 9.4308 10.4946 10.4946 11.7801 11.7801 19.3348 19.3348 k = 0.4748-0.0369 0.6395 ( 1756 PWs) bands (ev): -15.4322 -15.4322 -5.0555 -5.0555 -5.0033 -5.0033 -2.9273 -2.9273 -2.8597 -2.8597 -2.8097 -2.8097 1.3741 1.3741 2.4355 2.4355 2.6781 2.6781 5.2629 5.2629 9.4019 9.4019 10.4827 10.4827 11.8140 11.8140 19.4952 19.4952 k = 0.4685-0.0256 0.6395 ( 1758 PWs) bands (ev): -15.4324 -15.4324 -5.0551 -5.0551 -5.0055 -5.0055 -2.9267 -2.9267 -2.8642 -2.8642 -2.8096 -2.8096 1.3547 1.3547 2.4708 2.4708 2.6655 2.6655 5.2752 5.2752 9.3725 9.3725 10.4651 10.4651 11.8629 11.8629 19.6562 19.6562 k = 0.4623-0.0144 0.6395 ( 1758 PWs) bands (ev): -15.4327 -15.4327 -5.0547 -5.0547 -5.0077 -5.0077 -2.9263 -2.9263 -2.8682 -2.8682 -2.8097 -2.8097 1.3343 1.3343 2.5085 2.5085 2.6536 2.6536 5.2841 5.2841 9.3430 9.3430 10.4423 10.4423 11.9258 11.9258 19.8163 19.8163 k = 0.4560-0.0031 0.6395 ( 1754 PWs) bands (ev): -15.4329 -15.4329 -5.0542 -5.0542 -5.0098 -5.0098 -2.9261 -2.9261 -2.8714 -2.8714 -2.8099 -2.8099 1.3135 1.3135 2.5472 2.5472 2.6430 2.6430 5.2896 5.2896 9.3139 9.3139 10.4153 10.4153 12.0010 12.0010 19.9709 19.9709 k = 0.4497 0.0081 0.6395 ( 1752 PWs) bands (ev): -15.4332 -15.4332 -5.0538 -5.0538 -5.0118 -5.0118 -2.9264 -2.9264 -2.8739 -2.8739 -2.8103 -2.8103 1.2925 1.2925 2.5837 2.5837 2.6366 2.6366 5.2918 5.2918 9.2854 9.2854 10.3850 10.3850 12.0869 12.0869 20.0991 20.0991 k = 0.4434 0.0194 0.6395 ( 1747 PWs) bands (ev): -15.4335 -15.4335 -5.0534 -5.0534 -5.0137 -5.0137 -2.9272 -2.9272 -2.8755 -2.8755 -2.8108 -2.8108 1.2717 1.2717 2.6018 2.6018 2.6501 2.6501 5.2907 5.2907 9.2578 9.2578 10.3527 10.3527 12.1817 12.1817 20.1044 20.1044 k = 0.4371 0.0306 0.6395 ( 1743 PWs) bands (ev): -15.4339 -15.4339 -5.0530 -5.0530 -5.0155 -5.0155 -2.9284 -2.9284 -2.8761 -2.8761 -2.8115 -2.8115 1.2514 1.2514 2.5976 2.5976 2.6868 2.6868 5.2867 5.2867 9.2314 9.2314 10.3193 10.3193 12.2838 12.2838 19.9642 19.9642 k = 0.4308 0.0419 0.6395 ( 1741 PWs) bands (ev): -15.4342 -15.4342 -5.0527 -5.0527 -5.0172 -5.0172 -2.9301 -2.9301 -2.8759 -2.8759 -2.8123 -2.8123 1.2318 1.2318 2.5888 2.5888 2.7289 2.7289 5.2797 5.2797 9.2063 9.2063 10.2857 10.2857 12.3916 12.3916 19.7872 19.7872 k = 0.4245 0.0532 0.6395 ( 1743 PWs) bands (ev): -15.4346 -15.4346 -5.0524 -5.0524 -5.0186 -5.0186 -2.9321 -2.9321 -2.8750 -2.8750 -2.8132 -2.8132 1.2131 1.2131 2.5794 2.5794 2.7718 2.7718 5.2701 5.2701 9.1826 9.1826 10.2526 10.2526 12.5037 12.5037 19.6032 19.6032 k = 0.4182 0.0644 0.6395 ( 1743 PWs) bands (ev): -15.4349 -15.4349 -5.0523 -5.0523 -5.0199 -5.0199 -2.9342 -2.9342 -2.8734 -2.8734 -2.8143 -2.8143 1.1955 1.1955 2.5700 2.5700 2.8146 2.8146 5.2581 5.2581 9.1606 9.1606 10.2206 10.2206 12.6186 12.6186 19.4195 19.4195 k = 0.4119 0.0757 0.6395 ( 1737 PWs) bands (ev): -15.4353 -15.4353 -5.0522 -5.0522 -5.0209 -5.0209 -2.9365 -2.9365 -2.8712 -2.8712 -2.8155 -2.8155 1.1792 1.1792 2.5610 2.5610 2.8564 2.8564 5.2440 5.2440 9.1402 9.1402 10.1902 10.1902 12.7347 12.7347 19.2390 19.2390 k = 0.4056 0.0869 0.6395 ( 1737 PWs) bands (ev): -15.4357 -15.4357 -5.0523 -5.0523 -5.0216 -5.0216 -2.9387 -2.9387 -2.8687 -2.8687 -2.8167 -2.8167 1.1642 1.1642 2.5525 2.5525 2.8968 2.8968 5.2281 5.2281 9.1216 9.1216 10.1618 10.1618 12.8507 12.8507 19.0639 19.0639 k = 0.3993 0.0982 0.6395 ( 1739 PWs) bands (ev): -15.4360 -15.4360 -5.0525 -5.0525 -5.0221 -5.0221 -2.9408 -2.9408 -2.8660 -2.8660 -2.8179 -2.8179 1.1507 1.1507 2.5445 2.5445 2.9353 2.9353 5.2108 5.2108 9.1049 9.1049 10.1357 10.1357 12.9649 12.9649 18.8959 18.8959 k = 0.3930 0.1094 0.6395 ( 1741 PWs) bands (ev): -15.4364 -15.4364 -5.0528 -5.0528 -5.0223 -5.0223 -2.9427 -2.9427 -2.8631 -2.8631 -2.8191 -2.8191 1.1388 1.1388 2.5371 2.5371 2.9714 2.9714 5.1924 5.1924 9.0901 9.0901 10.1121 10.1121 13.0756 13.0756 18.7370 18.7370 k = 0.3868 0.1207 0.6395 ( 1744 PWs) bands (ev): -15.4367 -15.4367 -5.0532 -5.0532 -5.0222 -5.0222 -2.9444 -2.9444 -2.8602 -2.8602 -2.8203 -2.8203 1.1286 1.1286 2.5303 2.5303 3.0047 3.0047 5.1734 5.1734 9.0773 9.0773 10.0913 10.0913 13.1811 13.1811 18.5889 18.5889 k = 0.3805 0.1319 0.6395 ( 1740 PWs) bands (ev): -15.4371 -15.4371 -5.0537 -5.0537 -5.0217 -5.0217 -2.9457 -2.9457 -2.8574 -2.8574 -2.8211 -2.8211 1.1200 1.1200 2.5242 2.5242 3.0348 3.0348 5.1542 5.1542 9.0665 9.0665 10.0734 10.0734 13.2793 13.2793 18.4538 18.4538 k = 0.3742 0.1432 0.6395 ( 1740 PWs) bands (ev): -15.4374 -15.4374 -5.0543 -5.0543 -5.0210 -5.0210 -2.9468 -2.9468 -2.8549 -2.8549 -2.8216 -2.8216 1.1132 1.1132 2.5188 2.5188 3.0611 3.0611 5.1350 5.1350 9.0578 9.0578 10.0586 10.0586 13.3681 13.3681 18.3335 18.3335 k = 0.3679 0.1545 0.6395 ( 1739 PWs) bands (ev): -15.4377 -15.4377 -5.0550 -5.0550 -5.0201 -5.0201 -2.9475 -2.9475 -2.8529 -2.8529 -2.8216 -2.8216 1.1083 1.1083 2.5140 2.5140 3.0833 3.0833 5.1165 5.1165 9.0512 9.0512 10.0469 10.0469 13.4456 13.4456 18.2303 18.2303 k = 0.3616 0.1657 0.6395 ( 1736 PWs) bands (ev): -15.4380 -15.4380 -5.0556 -5.0556 -5.0189 -5.0189 -2.9478 -2.9478 -2.8515 -2.8515 -2.8208 -2.8208 1.1052 1.1052 2.5100 2.5100 3.1009 3.1009 5.0988 5.0988 9.0468 9.0468 10.0384 10.0384 13.5094 13.5094 18.1463 18.1463 k = 0.3553 0.1770 0.6395 ( 1736 PWs) bands (ev): -15.4382 -15.4382 -5.0563 -5.0563 -5.0175 -5.0175 -2.9479 -2.9479 -2.8509 -2.8509 -2.8194 -2.8194 1.1040 1.1040 2.5067 2.5067 3.1137 3.1137 5.0824 5.0824 9.0444 9.0444 10.0332 10.0332 13.5578 13.5578 18.0835 18.0835 k = 0.3490 0.1882 0.6395 ( 1738 PWs) bands (ev): -15.4385 -15.4385 -5.0570 -5.0570 -5.0159 -5.0159 -2.9476 -2.9476 -2.8510 -2.8510 -2.8171 -2.8171 1.1047 1.1047 2.5041 2.5041 3.1214 3.1214 5.0675 5.0675 9.0443 9.0443 10.0314 10.0314 13.5891 13.5891 18.0433 18.0433 k = 0.3427 0.1995 0.6395 ( 1741 PWs) bands (ev): -15.4387 -15.4387 -5.0577 -5.0577 -5.0141 -5.0141 -2.9469 -2.9469 -2.8516 -2.8516 -2.8143 -2.8143 1.1074 1.1074 2.5022 2.5022 3.1238 3.1238 5.0542 5.0542 9.0463 9.0463 10.0329 10.0329 13.6022 13.6022 18.0268 18.0268 k = 0.3364 0.2107 0.6395 ( 1743 PWs) bands (ev): -15.4389 -15.4389 -5.0583 -5.0583 -5.0121 -5.0121 -2.9460 -2.9460 -2.8527 -2.8527 -2.8110 -2.8110 1.1121 1.1121 2.5011 2.5011 3.1207 3.1207 5.0427 5.0427 9.0505 9.0505 10.0377 10.0377 13.5967 13.5967 18.0346 18.0346 k = 0.3301 0.2220 0.6395 ( 1743 PWs) bands (ev): -15.4390 -15.4390 -5.0589 -5.0589 -5.0100 -5.0100 -2.9447 -2.9447 -2.8540 -2.8540 -2.8074 -2.8074 1.1188 1.1188 2.5007 2.5007 3.1122 3.1122 5.0329 5.0329 9.0569 9.0569 10.0460 10.0460 13.5730 13.5730 18.0662 18.0662 k = 0.3238 0.2332 0.6395 ( 1740 PWs) bands (ev): -15.4392 -15.4392 -5.0594 -5.0594 -5.0078 -5.0078 -2.9431 -2.9431 -2.8554 -2.8554 -2.8036 -2.8036 1.1275 1.1275 2.5011 2.5011 3.0983 3.0983 5.0248 5.0248 9.0654 9.0654 10.0576 10.0576 13.5318 13.5318 18.1207 18.1207 k = 0.3175 0.2445 0.6395 ( 1742 PWs) bands (ev): -15.4393 -15.4393 -5.0599 -5.0599 -5.0054 -5.0054 -2.9414 -2.9414 -2.8569 -2.8569 -2.7998 -2.7998 1.1383 1.1383 2.5022 2.5022 3.0793 3.0793 5.0182 5.0182 9.0762 9.0762 10.0726 10.0726 13.4748 13.4748 18.1966 18.1966 k = 0.3113 0.2557 0.6395 ( 1744 PWs) bands (ev): -15.4394 -15.4394 -5.0603 -5.0603 -5.0029 -5.0029 -2.9395 -2.9395 -2.8582 -2.8582 -2.7959 -2.7959 1.1510 1.1510 2.5040 2.5040 3.0553 3.0553 5.0129 5.0129 9.0891 9.0891 10.0910 10.0910 13.4038 13.4038 18.2919 18.2919 k = 0.3050 0.2670 0.6395 ( 1745 PWs) bands (ev): -15.4394 -15.4394 -5.0607 -5.0607 -5.0002 -5.0002 -2.9374 -2.9374 -2.8593 -2.8593 -2.7919 -2.7919 1.1659 1.1659 2.5065 2.5065 3.0267 3.0267 5.0085 5.0085 9.1041 9.1041 10.1127 10.1127 13.3209 13.3209 18.4044 18.4044 k = 0.2987 0.2783 0.6395 ( 1747 PWs) bands (ev): -15.4395 -15.4395 -5.0611 -5.0611 -4.9975 -4.9975 -2.9353 -2.9353 -2.8602 -2.8602 -2.7881 -2.7881 1.1827 1.1827 2.5096 2.5096 2.9939 2.9939 5.0046 5.0046 9.1212 9.1212 10.1376 10.1376 13.2281 13.2281 18.5320 18.5320 k = 0.2924 0.2895 0.6395 ( 1747 PWs) bands (ev): -15.4395 -15.4395 -5.0614 -5.0614 -4.9946 -4.9946 -2.9332 -2.9332 -2.8606 -2.8606 -2.7843 -2.7843 1.2016 1.2016 2.5134 2.5134 2.9573 2.9573 5.0009 5.0009 9.1404 9.1404 10.1657 10.1657 13.1276 13.1276 18.6723 18.6723 k = 0.2861 0.3008 0.6395 ( 1747 PWs) bands (ev): -15.4394 -15.4394 -5.0616 -5.0616 -4.9917 -4.9917 -2.9313 -2.9313 -2.8606 -2.8606 -2.7806 -2.7806 1.2226 1.2226 2.5178 2.5178 2.9173 2.9173 4.9970 4.9970 9.1616 9.1616 10.1969 10.1969 13.0211 13.0211 18.8229 18.8229 k = 0.2798 0.3120 0.6395 ( 1747 PWs) bands (ev): -15.4394 -15.4394 -5.0618 -5.0618 -4.9887 -4.9887 -2.9296 -2.9296 -2.8600 -2.8600 -2.7770 -2.7770 1.2455 1.2455 2.5228 2.5228 2.8743 2.8743 4.9925 4.9925 9.1848 9.1848 10.2311 10.2311 12.9105 12.9105 18.9805 18.9805 k = 0.2735 0.3233 0.6395 ( 1741 PWs) bands (ev): -15.4393 -15.4393 -5.0620 -5.0620 -4.9856 -4.9856 -2.9281 -2.9281 -2.8588 -2.8588 -2.7735 -2.7735 1.2705 1.2705 2.5283 2.5283 2.8289 2.8289 4.9870 4.9870 9.2100 9.2100 10.2682 10.2682 12.7974 12.7974 19.1386 19.1386 k = 0.2672 0.3345 0.6395 ( 1745 PWs) bands (ev): -15.4392 -15.4392 -5.0621 -5.0621 -4.9825 -4.9825 -2.9270 -2.9270 -2.8569 -2.8569 -2.7703 -2.7703 1.2974 1.2974 2.5341 2.5341 2.7816 2.7816 4.9802 4.9802 9.2370 9.2370 10.3079 10.3079 12.6831 12.6831 19.2576 19.2576 k = 0.2609 0.3458 0.6395 ( 1747 PWs) bands (ev): -15.4391 -15.4391 -5.0623 -5.0623 -4.9794 -4.9794 -2.9263 -2.9263 -2.8542 -2.8542 -2.7672 -2.7672 1.3262 1.3262 2.5400 2.5400 2.7329 2.7329 4.9718 4.9718 9.2658 9.2658 10.3501 10.3501 12.5690 12.5690 19.1877 19.1877 k = 0.2546 0.3570 0.6395 ( 1747 PWs) bands (ev): -15.4389 -15.4389 -5.0624 -5.0624 -4.9762 -4.9762 -2.9259 -2.9259 -2.8509 -2.8509 -2.7643 -2.7643 1.3569 1.3569 2.5453 2.5453 2.6838 2.6838 4.9615 4.9615 9.2962 9.2962 10.3944 10.3944 12.4562 12.4562 19.0283 19.0283 k = 0.2483 0.3683 0.6395 ( 1747 PWs) bands (ev): -15.4388 -15.4388 -5.0624 -5.0624 -4.9730 -4.9730 -2.9259 -2.9259 -2.8470 -2.8470 -2.7616 -2.7616 1.3895 1.3895 2.5479 2.5479 2.6369 2.6369 4.9492 4.9492 9.3284 9.3284 10.4406 10.4406 12.3459 12.3459 18.8584 18.8584 k = 0.2421 0.3796 0.6395 ( 1743 PWs) bands (ev): -15.4386 -15.4386 -5.0625 -5.0625 -4.9699 -4.9699 -2.9261 -2.9261 -2.8425 -2.8425 -2.7591 -2.7591 1.4238 1.4238 2.5385 2.5385 2.6018 2.6018 4.9345 4.9345 9.3620 9.3620 10.4882 10.4882 12.2391 12.2391 18.6873 18.6873 k = 0.2358 0.3908 0.6395 ( 1745 PWs) bands (ev): -15.4384 -15.4384 -5.0625 -5.0625 -4.9668 -4.9668 -2.9265 -2.9265 -2.8375 -2.8375 -2.7568 -2.7568 1.4598 1.4598 2.5035 2.5035 2.5923 2.5923 4.9175 4.9175 9.3969 9.3969 10.5367 10.5367 12.1369 12.1369 18.5171 18.5171 k = 0.2295 0.4021 0.6395 ( 1743 PWs) bands (ev): -15.4382 -15.4382 -5.0626 -5.0626 -4.9636 -4.9636 -2.9271 -2.9271 -2.8321 -2.8321 -2.7547 -2.7547 1.4975 1.4975 2.4554 2.4554 2.5961 2.5961 4.8980 4.8980 9.4332 9.4332 10.5855 10.5855 12.0403 12.0403 18.3484 18.3484 k = 0.2232 0.4133 0.6395 ( 1745 PWs) bands (ev): -15.4379 -15.4379 -5.0626 -5.0626 -4.9606 -4.9606 -2.9278 -2.9278 -2.8265 -2.8265 -2.7528 -2.7528 1.5366 1.5366 2.4040 2.4040 2.6036 2.6036 4.8761 4.8761 9.4704 9.4704 10.6338 10.6338 11.9508 11.9508 18.1816 18.1816 k = 0.2169 0.4246 0.6395 ( 1743 PWs) bands (ev): -15.4377 -15.4377 -5.0626 -5.0626 -4.9576 -4.9576 -2.9286 -2.9286 -2.8206 -2.8206 -2.7511 -2.7511 1.5770 1.5770 2.3520 2.3520 2.6127 2.6127 4.8516 4.8516 9.5086 9.5086 10.6804 10.6804 11.8696 11.8696 18.0168 18.0168 k = 0.2106 0.4358 0.6395 ( 1743 PWs) bands (ev): -15.4374 -15.4374 -5.0626 -5.0626 -4.9548 -4.9548 -2.9294 -2.9294 -2.8145 -2.8145 -2.7497 -2.7497 1.6184 1.6184 2.3002 2.3002 2.6225 2.6225 4.8247 4.8247 9.5473 9.5473 10.7242 10.7242 11.7983 11.7983 17.8541 17.8541 k = 0.2043 0.4471 0.6395 ( 1741 PWs) bands (ev): -15.4372 -15.4372 -5.0627 -5.0627 -4.9520 -4.9520 -2.9301 -2.9301 -2.8084 -2.8084 -2.7485 -2.7485 1.6607 1.6607 2.2493 2.2493 2.6329 2.6329 4.7955 4.7955 9.5864 9.5864 10.7635 10.7635 11.7388 11.7388 17.6938 17.6938 k = 0.1980 0.4583 0.6395 ( 1739 PWs) bands (ev): -15.4369 -15.4369 -5.0627 -5.0627 -4.9494 -4.9494 -2.9309 -2.9309 -2.8023 -2.8023 -2.7474 -2.7474 1.7032 1.7032 2.1999 2.1999 2.6437 2.6437 4.7641 4.7641 9.6255 9.6255 10.7969 10.7969 11.6929 11.6929 17.5357 17.5357 k = 0.1917 0.4696 0.6395 ( 1741 PWs) bands (ev): -15.4367 -15.4367 -5.0627 -5.0627 -4.9469 -4.9469 -2.9316 -2.9316 -2.7963 -2.7963 -2.7466 -2.7466 1.7451 1.7451 2.1529 2.1529 2.6548 2.6548 4.7308 4.7308 9.6642 9.6642 10.8229 10.8229 11.6624 11.6624 17.3800 17.3800 k = 0.1854 0.4809 0.6395 ( 1742 PWs) bands (ev): -15.4364 -15.4364 -5.0628 -5.0628 -4.9445 -4.9445 -2.9322 -2.9322 -2.7905 -2.7905 -2.7458 -2.7458 1.7849 1.7849 2.1098 2.1098 2.6662 2.6662 4.6957 4.6957 9.7020 9.7020 10.8407 10.8407 11.6483 11.6483 17.2267 17.2267 k = 0.1791 0.4921 0.6395 ( 1742 PWs) bands (ev): -15.4362 -15.4362 -5.0628 -5.0628 -4.9423 -4.9423 -2.9327 -2.9327 -2.7850 -2.7850 -2.7451 -2.7451 1.8195 1.8195 2.0737 2.0737 2.6778 2.6778 4.6592 4.6592 9.7385 9.7385 10.8509 10.8509 11.6505 11.6505 17.0759 17.0759 k = 0.1728 0.5034 0.6395 ( 1744 PWs) bands (ev): -15.4359 -15.4359 -5.0629 -5.0629 -4.9403 -4.9403 -2.9332 -2.9332 -2.7800 -2.7800 -2.7444 -2.7444 1.8424 1.8424 2.0510 2.0510 2.6895 2.6895 4.6216 4.6216 9.7730 9.7730 10.8551 10.8551 11.6676 11.6676 16.9276 16.9276 k = 0.1728 0.5034 0.6395 ( 1744 PWs) bands (ev): -15.4359 -15.4359 -5.0629 -5.0629 -4.9403 -4.9403 -2.9332 -2.9332 -2.7800 -2.7800 -2.7444 -2.7444 1.8424 1.8424 2.0510 2.0510 2.6895 2.6895 4.6216 4.6216 9.7730 9.7730 10.8551 10.8551 11.6676 11.6676 16.9276 16.9276 k = 0.1642 0.5093 0.6320 ( 1742 PWs) bands (ev): -15.4356 -15.4356 -5.0629 -5.0629 -4.9377 -4.9377 -2.9336 -2.9336 -2.7738 -2.7738 -2.7428 -2.7428 1.8625 1.8625 2.0335 2.0335 2.7054 2.7054 4.5668 4.5668 9.8174 9.8174 10.8608 10.8608 11.7038 11.7038 16.7273 16.7273 k = 0.1556 0.5152 0.6245 ( 1742 PWs) bands (ev): -15.4354 -15.4354 -5.0630 -5.0630 -4.9350 -4.9350 -2.9339 -2.9339 -2.7687 -2.7687 -2.7402 -2.7402 1.8838 1.8838 2.0175 2.0175 2.7205 2.7205 4.5076 4.5076 9.8586 9.8586 10.8727 10.8727 11.7464 11.7464 16.5303 16.5303 k = 0.1469 0.5211 0.6170 ( 1746 PWs) bands (ev): -15.4351 -15.4351 -5.0630 -5.0630 -4.9324 -4.9324 -2.9339 -2.9339 -2.7650 -2.7650 -2.7361 -2.7361 1.9047 1.9047 2.0044 2.0044 2.7349 2.7349 4.4443 4.4443 9.8959 9.8959 10.8913 10.8913 11.7947 11.7947 16.3368 16.3368 k = 0.1383 0.5270 0.6095 ( 1754 PWs) bands (ev): -15.4350 -15.4350 -5.0630 -5.0630 -4.9298 -4.9298 -2.9338 -2.9338 -2.7626 -2.7626 -2.7309 -2.7309 1.9214 1.9214 1.9982 1.9982 2.7485 2.7485 4.3778 4.3778 9.9286 9.9286 10.9173 10.9173 11.8476 11.8476 16.1470 16.1470 k = 0.1296 0.5329 0.6020 ( 1750 PWs) bands (ev): -15.4348 -15.4348 -5.0630 -5.0630 -4.9271 -4.9271 -2.9335 -2.9335 -2.7612 -2.7612 -2.7246 -2.7246 1.9273 1.9273 2.0056 2.0056 2.7613 2.7613 4.3087 4.3087 9.9564 9.9564 10.9507 10.9507 11.9045 11.9045 15.9610 15.9610 k = 0.1210 0.5388 0.5945 ( 1750 PWs) bands (ev): -15.4347 -15.4347 -5.0630 -5.0630 -4.9246 -4.9246 -2.9331 -2.9331 -2.7604 -2.7604 -2.7180 -2.7180 1.9218 1.9218 2.0269 2.0269 2.7734 2.7734 4.2375 4.2375 9.9792 9.9792 10.9914 10.9914 11.9643 11.9643 15.7793 15.7793 k = 0.1124 0.5448 0.5869 ( 1750 PWs) bands (ev): -15.4346 -15.4346 -5.0629 -5.0629 -4.9221 -4.9221 -2.9326 -2.9326 -2.7600 -2.7600 -2.7111 -2.7111 1.9112 1.9112 2.0558 2.0558 2.7846 2.7846 4.1650 4.1650 9.9973 9.9973 11.0388 11.0388 12.0264 12.0264 15.6021 15.6021 k = 0.1037 0.5507 0.5794 ( 1750 PWs) bands (ev): -15.4345 -15.4345 -5.0629 -5.0629 -4.9198 -4.9198 -2.9320 -2.9320 -2.7598 -2.7598 -2.7043 -2.7043 1.8990 1.8990 2.0887 2.0887 2.7951 2.7951 4.0917 4.0917 10.0111 10.0111 11.0919 11.0919 12.0900 12.0900 15.4298 15.4298 k = 0.0951 0.5566 0.5719 ( 1748 PWs) bands (ev): -15.4345 -15.4345 -5.0628 -5.0628 -4.9175 -4.9175 -2.9313 -2.9313 -2.7598 -2.7598 -2.6977 -2.6977 1.8868 1.8868 2.1241 2.1241 2.8048 2.8048 4.0184 4.0184 10.0212 10.0212 11.1496 11.1496 12.1544 12.1544 15.2629 15.2629 k = 0.0864 0.5625 0.5644 ( 1748 PWs) bands (ev): -15.4345 -15.4345 -5.0627 -5.0627 -4.9154 -4.9154 -2.9307 -2.9307 -2.7598 -2.7598 -2.6914 -2.6914 1.8749 1.8749 2.1610 2.1610 2.8137 2.8137 3.9458 3.9458 10.0282 10.0282 11.2106 11.2106 12.2190 12.2190 15.1020 15.1020 k = 0.0778 0.5684 0.5569 ( 1748 PWs) bands (ev): -15.4345 -15.4345 -5.0627 -5.0627 -4.9134 -4.9134 -2.9300 -2.9300 -2.7599 -2.7599 -2.6855 -2.6855 1.8638 1.8638 2.1989 2.1989 2.8218 2.8218 3.8746 3.8746 10.0327 10.0327 11.2732 11.2732 12.2831 12.2831 14.9478 14.9478 k = 0.0691 0.5743 0.5494 ( 1748 PWs) bands (ev): -15.4345 -15.4345 -5.0626 -5.0626 -4.9116 -4.9116 -2.9293 -2.9293 -2.7600 -2.7600 -2.6800 -2.6800 1.8536 1.8536 2.2372 2.2372 2.8291 2.8291 3.8056 3.8056 10.0355 10.0355 11.3360 11.3360 12.3460 12.3460 14.8013 14.8013 k = 0.0605 0.5802 0.5419 ( 1736 PWs) bands (ev): -15.4345 -15.4345 -5.0625 -5.0625 -4.9098 -4.9098 -2.9286 -2.9286 -2.7601 -2.7601 -2.6749 -2.6749 1.8443 1.8443 2.2752 2.2752 2.8357 2.8357 3.7399 3.7399 10.0369 10.0369 11.3971 11.3971 12.4071 12.4071 14.6635 14.6635 k = 0.0519 0.5862 0.5344 ( 1732 PWs) bands (ev): -15.4345 -15.4345 -5.0625 -5.0625 -4.9084 -4.9084 -2.9279 -2.9279 -2.7602 -2.7602 -2.6704 -2.6704 1.8362 1.8362 2.3120 2.3120 2.8415 2.8415 3.6783 3.6783 10.0373 10.0373 11.4550 11.4550 12.4656 12.4656 14.5360 14.5360 k = 0.0432 0.5921 0.5268 ( 1732 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9071 -4.9071 -2.9274 -2.9274 -2.7603 -2.7603 -2.6666 -2.6666 1.8292 1.8292 2.3466 2.3466 2.8466 2.8466 3.6222 3.6222 10.0372 10.0372 11.5079 11.5079 12.5202 12.5202 14.4207 14.4207 k = 0.0346 0.5980 0.5193 ( 1732 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9061 -4.9061 -2.9269 -2.9269 -2.7604 -2.7604 -2.6634 -2.6634 1.8235 1.8235 2.3779 2.3779 2.8509 2.8509 3.5730 3.5730 10.0368 10.0368 11.5540 11.5540 12.5696 12.5696 14.3199 14.3199 k = 0.0259 0.6039 0.5118 ( 1736 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9053 -4.9053 -2.9265 -2.9265 -2.7605 -2.7605 -2.6609 -2.6609 1.8189 1.8189 2.4044 2.4044 2.8544 2.8544 3.5322 3.5322 10.0362 10.0362 11.5918 11.5918 12.6118 12.6118 14.2365 14.2365 k = 0.0173 0.6098 0.5043 ( 1736 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9047 -4.9047 -2.9263 -2.9263 -2.7606 -2.7606 -2.6591 -2.6591 1.8157 1.8157 2.4248 2.4248 2.8570 2.8570 3.5015 3.5015 10.0358 10.0358 11.6199 11.6199 12.6446 12.6446 14.1736 14.1736 k = 0.0086 0.6157 0.4968 ( 1736 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9043 -4.9043 -2.9261 -2.9261 -2.7606 -2.7606 -2.6580 -2.6580 1.8137 1.8137 2.4376 2.4376 2.8586 2.8586 3.4824 3.4824 10.0354 10.0354 11.6372 11.6372 12.6655 12.6655 14.1343 14.1343 k = 0.0000 0.6216 0.4893 ( 1740 PWs) bands (ev): -15.4346 -15.4346 -5.0624 -5.0624 -4.9042 -4.9042 -2.9261 -2.9261 -2.7606 -2.7606 -2.6577 -2.6577 1.8130 1.8130 2.4420 2.4420 2.8591 2.8591 3.4758 3.4758 10.0353 10.0353 11.6431 11.6431 12.6728 12.6728 14.1208 14.1208 k = 0.0000 0.6216 0.4893 ( 1740 PWs) bands (ev): -15.4346 -15.4346 -5.0624 -5.0624 -4.9042 -4.9042 -2.9261 -2.9261 -2.7606 -2.7606 -2.6577 -2.6577 1.8130 1.8130 2.4420 2.4420 2.8591 2.8591 3.4758 3.4758 10.0353 10.0353 11.6431 11.6431 12.6728 12.6728 14.1208 14.1208 k = 0.0000 0.6114 0.4812 ( 1736 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9045 -4.9045 -2.9260 -2.9260 -2.7609 -2.7609 -2.6580 -2.6580 1.8079 1.8079 2.4424 2.4424 2.8595 2.8595 3.4828 3.4828 10.0348 10.0348 11.6437 11.6437 12.6736 12.6736 14.1220 14.1220 k = 0.0000 0.6013 0.4732 ( 1730 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9052 -4.9052 -2.9260 -2.9260 -2.7617 -2.7617 -2.6591 -2.6591 1.7930 1.7930 2.4438 2.4438 2.8607 2.8607 3.5032 3.5032 10.0333 10.0333 11.6457 11.6457 12.6760 12.6760 14.1254 14.1254 k = 0.0000 0.5911 0.4652 ( 1729 PWs) bands (ev): -15.4345 -15.4345 -5.0625 -5.0625 -4.9064 -4.9064 -2.9260 -2.9260 -2.7632 -2.7632 -2.6609 -2.6609 1.7688 1.7688 2.4462 2.4462 2.8627 2.8627 3.5362 3.5362 10.0309 10.0309 11.6489 11.6489 12.6800 12.6800 14.1310 14.1310 k = 0.0000 0.5809 0.4572 ( 1733 PWs) bands (ev): -15.4345 -15.4345 -5.0626 -5.0626 -4.9081 -4.9081 -2.9260 -2.9260 -2.7653 -2.7653 -2.6635 -2.6635 1.7367 1.7367 2.4495 2.4495 2.8654 2.8654 3.5805 3.5805 10.0277 10.0277 11.6535 11.6535 12.6856 12.6856 14.1388 14.1388 k = 0.0000 0.5707 0.4492 ( 1733 PWs) bands (ev): -15.4346 -15.4346 -5.0628 -5.0628 -4.9103 -4.9103 -2.9260 -2.9260 -2.7679 -2.7679 -2.6667 -2.6667 1.6979 1.6979 2.4539 2.4539 2.8689 2.8689 3.6345 3.6345 10.0238 10.0238 11.6596 11.6596 12.6928 12.6928 14.1490 14.1490 k = 0.0000 0.5605 0.4411 ( 1735 PWs) bands (ev): -15.4346 -15.4346 -5.0630 -5.0630 -4.9130 -4.9130 -2.9260 -2.9260 -2.7712 -2.7712 -2.6705 -2.6705 1.6538 1.6538 2.4593 2.4593 2.8731 2.8731 3.6965 3.6965 10.0196 10.0196 11.6670 11.6670 12.7017 12.7017 14.1613 14.1613 k = 0.0000 0.5503 0.4331 ( 1735 PWs) bands (ev): -15.4346 -15.4346 -5.0633 -5.0633 -4.9160 -4.9160 -2.9260 -2.9260 -2.7749 -2.7749 -2.6749 -2.6749 1.6057 1.6057 2.4658 2.4658 2.8781 2.8781 3.7650 3.7650 10.0152 10.0152 11.6760 11.6760 12.7123 12.7123 14.1760 14.1760 k = 0.0000 0.5401 0.4251 ( 1741 PWs) bands (ev): -15.4347 -15.4347 -5.0636 -5.0636 -4.9195 -4.9195 -2.9260 -2.9260 -2.7793 -2.7793 -2.6799 -2.6799 1.5547 1.5547 2.4734 2.4734 2.8837 2.8837 3.8384 3.8384 10.0110 10.0110 11.6866 11.6866 12.7246 12.7246 14.1929 14.1929 k = 0.0000 0.5299 0.4171 ( 1737 PWs) bands (ev): -15.4347 -15.4347 -5.0639 -5.0639 -4.9233 -4.9233 -2.9260 -2.9260 -2.7841 -2.7841 -2.6852 -2.6852 1.5017 1.5017 2.4819 2.4819 2.8900 2.8900 3.9154 3.9154 10.0074 10.0074 11.6990 11.6990 12.7387 12.7387 14.2121 14.2121 k = 0.0000 0.5197 0.4091 ( 1741 PWs) bands (ev): -15.4349 -15.4349 -5.0643 -5.0643 -4.9275 -4.9275 -2.9260 -2.9260 -2.7895 -2.7895 -2.6910 -2.6910 1.4476 1.4476 2.4913 2.4913 2.8970 2.8970 3.9947 3.9947 10.0047 10.0047 11.7130 11.7130 12.7546 12.7546 14.2335 14.2335 k = 0.0000 0.5095 0.4010 ( 1741 PWs) bands (ev): -15.4350 -15.4350 -5.0647 -5.0647 -4.9320 -4.9320 -2.9260 -2.9260 -2.7953 -2.7953 -2.6971 -2.6971 1.3930 1.3930 2.5017 2.5017 2.9045 2.9045 4.0752 4.0752 10.0034 10.0034 11.7290 11.7290 12.7723 12.7723 14.2572 14.2572 k = 0.0000 0.4994 0.3930 ( 1741 PWs) bands (ev): -15.4352 -15.4352 -5.0652 -5.0652 -4.9367 -4.9367 -2.9260 -2.9260 -2.8016 -2.8016 -2.7034 -2.7034 1.3386 1.3386 2.5128 2.5128 2.9125 2.9125 4.1558 4.1558 10.0041 10.0041 11.7471 11.7471 12.7919 12.7919 14.2832 14.2832 k = 0.0000 0.4892 0.3850 ( 1741 PWs) bands (ev): -15.4354 -15.4354 -5.0656 -5.0656 -4.9417 -4.9417 -2.9260 -2.9260 -2.8082 -2.8082 -2.7100 -2.7100 1.2846 1.2846 2.5248 2.5248 2.9210 2.9210 4.2354 4.2354 10.0073 10.0073 11.7672 11.7672 12.8135 12.8135 14.3116 14.3116 k = 0.0000 0.4790 0.3770 ( 1749 PWs) bands (ev): -15.4357 -15.4357 -5.0662 -5.0662 -4.9469 -4.9469 -2.9260 -2.9260 -2.8152 -2.8152 -2.7168 -2.7168 1.2315 1.2315 2.5374 2.5374 2.9300 2.9300 4.3130 4.3130 10.0135 10.0135 11.7896 11.7896 12.8370 12.8370 14.3421 14.3421 k = 0.0000 0.4688 0.3690 ( 1761 PWs) bands (ev): -15.4361 -15.4361 -5.0668 -5.0668 -4.9522 -4.9522 -2.9260 -2.9260 -2.8225 -2.8225 -2.7237 -2.7237 1.1796 1.1796 2.5506 2.5506 2.9393 2.9393 4.3877 4.3877 10.0233 10.0233 11.8144 11.8144 12.8627 12.8627 14.3751 14.3751 k = 0.0000 0.4586 0.3609 ( 1765 PWs) bands (ev): -15.4365 -15.4365 -5.0674 -5.0674 -4.9577 -4.9577 -2.9260 -2.9260 -2.8300 -2.8300 -2.7306 -2.7306 1.1290 1.1290 2.5644 2.5644 2.9489 2.9489 4.4587 4.4587 10.0374 10.0374 11.8418 11.8418 12.8904 12.8904 14.4103 14.4103 k = 0.0000 0.4484 0.3529 ( 1765 PWs) bands (ev): -15.4370 -15.4370 -5.0680 -5.0680 -4.9632 -4.9632 -2.9260 -2.9260 -2.8375 -2.8375 -2.7376 -2.7376 1.0800 1.0800 2.5787 2.5787 2.9589 2.9589 4.5251 4.5251 10.0562 10.0562 11.8719 11.8719 12.9204 12.9204 14.4479 14.4479 k = 0.0000 0.4382 0.3449 ( 1765 PWs) bands (ev): -15.4376 -15.4376 -5.0687 -5.0687 -4.9687 -4.9687 -2.9260 -2.9260 -2.8451 -2.8451 -2.7446 -2.7446 1.0328 1.0328 2.5935 2.5935 2.9690 2.9690 4.5860 4.5860 10.0805 10.0805 11.9048 11.9048 12.9526 12.9526 14.4878 14.4878 k = 0.0000 0.4280 0.3369 ( 1761 PWs) bands (ev): -15.4383 -15.4383 -5.0693 -5.0693 -4.9741 -4.9741 -2.9260 -2.9260 -2.8527 -2.8527 -2.7516 -2.7516 0.9873 0.9873 2.6086 2.6086 2.9793 2.9793 4.6408 4.6408 10.1107 10.1107 11.9408 11.9408 12.9871 12.9871 14.5301 14.5301 k = 0.0000 0.4178 0.3289 ( 1763 PWs) bands (ev): -15.4391 -15.4391 -5.0701 -5.0701 -4.9795 -4.9795 -2.9261 -2.9261 -2.8601 -2.8601 -2.7585 -2.7585 0.9438 0.9438 2.6239 2.6239 2.9897 2.9897 4.6887 4.6887 10.1472 10.1472 11.9801 11.9801 13.0240 13.0240 14.5747 14.5747 k = 0.0000 0.4076 0.3208 ( 1763 PWs) bands (ev): -15.4400 -15.4400 -5.0708 -5.0708 -4.9848 -4.9848 -2.9261 -2.9261 -2.8673 -2.8673 -2.7654 -2.7654 0.9022 0.9022 2.6395 2.6395 3.0002 3.0002 4.7292 4.7292 10.1904 10.1904 12.0228 12.0228 13.0633 13.0633 14.6217 14.6217 k = 0.0000 0.3974 0.3128 ( 1763 PWs) bands (ev): -15.4409 -15.4409 -5.0716 -5.0716 -4.9900 -4.9900 -2.9263 -2.9263 -2.8741 -2.8741 -2.7723 -2.7723 0.8627 0.8627 2.6553 2.6553 3.0106 3.0106 4.7619 4.7619 10.2405 10.2405 12.0692 12.0692 13.1051 13.1051 14.6711 14.6711 k = 0.0000 0.3873 0.3048 ( 1767 PWs) bands (ev): -15.4420 -15.4420 -5.0723 -5.0723 -4.9951 -4.9951 -2.9265 -2.9265 -2.8806 -2.8806 -2.7791 -2.7791 0.8253 0.8253 2.6711 2.6711 3.0210 3.0210 4.7864 4.7864 10.2977 10.2977 12.1195 12.1195 13.1495 13.1495 14.7228 14.7228 k = 0.0000 0.3771 0.2968 ( 1771 PWs) bands (ev): -15.4433 -15.4433 -5.0731 -5.0731 -4.9999 -4.9999 -2.9268 -2.9268 -2.8865 -2.8865 -2.7857 -2.7857 0.7900 0.7900 2.6869 2.6869 3.0313 3.0313 4.8023 4.8023 10.3620 10.3620 12.1739 12.1739 13.1966 13.1966 14.7770 14.7770 k = 0.0000 0.3669 0.2887 ( 1771 PWs) bands (ev): -15.4446 -15.4446 -5.0739 -5.0739 -5.0045 -5.0045 -2.9271 -2.9271 -2.8919 -2.8919 -2.7923 -2.7923 0.7569 0.7569 2.7027 2.7027 3.0414 3.0414 4.8097 4.8097 10.4332 10.4332 12.2328 12.2328 13.2463 13.2463 14.8336 14.8336 k = 0.0000 0.3567 0.2807 ( 1771 PWs) bands (ev): -15.4460 -15.4460 -5.0747 -5.0747 -5.0089 -5.0089 -2.9277 -2.9277 -2.8966 -2.8966 -2.7987 -2.7987 0.7260 0.7260 2.7184 2.7184 3.0513 3.0513 4.8085 4.8085 10.5110 10.5110 12.2965 12.2965 13.2988 13.2988 14.8927 14.8927 k = 0.0000 0.3465 0.2727 ( 1771 PWs) bands (ev): -15.4476 -15.4476 -5.0755 -5.0755 -5.0130 -5.0130 -2.9284 -2.9284 -2.9005 -2.9005 -2.8050 -2.8050 0.6973 0.6973 2.7339 2.7339 3.0610 3.0610 4.7989 4.7989 10.5950 10.5950 12.3652 12.3652 13.3541 13.3541 14.9541 14.9541 k = 0.0000 0.3363 0.2647 ( 1771 PWs) bands (ev): -15.4492 -15.4492 -5.0762 -5.0762 -5.0168 -5.0168 -2.9293 -2.9293 -2.9037 -2.9037 -2.8111 -2.8111 0.6709 0.6709 2.7492 2.7492 3.0704 3.0704 4.7810 4.7810 10.6846 10.6846 12.4393 12.4393 13.4123 13.4123 15.0181 15.0181 k = 0.0000 0.3261 0.2567 ( 1767 PWs) bands (ev): -15.4510 -15.4510 -5.0770 -5.0770 -5.0204 -5.0204 -2.9304 -2.9304 -2.9060 -2.9060 -2.8171 -2.8171 0.6467 0.6467 2.7643 2.7643 3.0795 3.0795 4.7552 4.7552 10.7791 10.7791 12.5190 12.5190 13.4734 13.4734 15.0844 15.0844 k = 0.0000 0.3159 0.2486 ( 1761 PWs) bands (ev): -15.4529 -15.4529 -5.0776 -5.0776 -5.0236 -5.0236 -2.9315 -2.9315 -2.9077 -2.9077 -2.8228 -2.8228 0.6248 0.6248 2.7790 2.7790 3.0883 3.0883 4.7219 4.7219 10.8778 10.8778 12.6048 12.6048 13.5375 13.5375 15.1533 15.1533 k = 0.0000 0.3057 0.2406 ( 1763 PWs) bands (ev): -15.4549 -15.4549 -5.0783 -5.0783 -5.0266 -5.0266 -2.9325 -2.9325 -2.9088 -2.9088 -2.8283 -2.8283 0.6051 0.6051 2.7934 2.7934 3.0967 3.0967 4.6814 4.6814 10.9799 10.9799 12.6968 12.6968 13.6047 13.6047 15.2246 15.2246 k = 0.0000 0.2955 0.2326 ( 1763 PWs) bands (ev): -15.4570 -15.4570 -5.0789 -5.0789 -5.0293 -5.0293 -2.9334 -2.9334 -2.9093 -2.9093 -2.8336 -2.8336 0.5878 0.5878 2.8074 2.8074 3.1047 3.1047 4.6344 4.6344 11.0846 11.0846 12.7954 12.7954 13.6750 13.6750 15.2985 15.2985 k = 0.0000 0.2853 0.2246 ( 1763 PWs) bands (ev): -15.4592 -15.4592 -5.0794 -5.0794 -5.0317 -5.0317 -2.9341 -2.9341 -2.9095 -2.9095 -2.8387 -2.8387 0.5728 0.5728 2.8210 2.8210 3.1123 3.1123 4.5813 4.5813 11.1910 11.1910 12.9007 12.9007 13.7485 13.7485 15.3748 15.3748 k = 0.0000 0.2752 0.2166 ( 1763 PWs) bands (ev): -15.4615 -15.4615 -5.0799 -5.0799 -5.0339 -5.0339 -2.9345 -2.9345 -2.9093 -2.9093 -2.8434 -2.8434 0.5601 0.5601 2.8341 2.8341 3.1195 3.1195 4.5226 4.5226 11.2983 11.2983 13.0127 13.0127 13.8253 13.8253 15.4537 15.4537 k = 0.0000 0.2650 0.2085 ( 1767 PWs) bands (ev): -15.4638 -15.4638 -5.0803 -5.0803 -5.0358 -5.0358 -2.9346 -2.9346 -2.9089 -2.9089 -2.8479 -2.8479 0.5498 0.5498 2.8467 2.8467 3.1262 3.1262 4.4590 4.4590 11.4058 11.4058 13.1315 13.1315 13.9054 13.9054 15.5350 15.5350 k = 0.0000 0.2548 0.2005 ( 1767 PWs) bands (ev): -15.4662 -15.4662 -5.0807 -5.0807 -5.0374 -5.0374 -2.9344 -2.9344 -2.9084 -2.9084 -2.8519 -2.8519 0.5418 0.5418 2.8589 2.8589 3.1325 3.1325 4.3909 4.3909 11.5129 11.5129 13.2568 13.2568 13.9892 13.9892 15.6189 15.6189 k = 0.0000 0.2446 0.1925 ( 1763 PWs) bands (ev): -15.4687 -15.4687 -5.0810 -5.0810 -5.0388 -5.0388 -2.9340 -2.9340 -2.9076 -2.9076 -2.8554 -2.8554 0.5362 0.5362 2.8705 2.8705 3.1384 3.1384 4.3188 4.3188 11.6190 11.6190 13.3882 13.3882 14.0767 14.0767 15.7054 15.7054 k = 0.0000 0.2344 0.1845 ( 1763 PWs) bands (ev): -15.4712 -15.4712 -5.0812 -5.0812 -5.0399 -5.0399 -2.9334 -2.9334 -2.9067 -2.9067 -2.8584 -2.8584 0.5329 0.5329 2.8815 2.8815 3.1439 3.1439 4.2434 4.2434 11.7238 11.7238 13.5250 13.5250 14.1682 14.1682 15.7943 15.7943 k = 0.0000 0.2242 0.1765 ( 1761 PWs) bands (ev): -15.4738 -15.4738 -5.0814 -5.0814 -5.0408 -5.0408 -2.9327 -2.9327 -2.9058 -2.9058 -2.8607 -2.8607 0.5319 0.5319 2.8920 2.8920 3.1489 3.1489 4.1652 4.1652 11.8268 11.8268 13.6665 13.6665 14.2641 14.2641 15.8858 15.8858 k = 0.0000 0.2140 0.1684 ( 1761 PWs) bands (ev): -15.4763 -15.4763 -5.0815 -5.0815 -5.0415 -5.0415 -2.9320 -2.9320 -2.9049 -2.9049 -2.8623 -2.8623 0.5333 0.5333 2.9020 2.9020 3.1534 3.1534 4.0846 4.0846 11.9278 11.9278 13.8114 13.8114 14.3650 14.3650 15.9798 15.9798 k = 0.0000 0.2038 0.1604 ( 1761 PWs) bands (ev): -15.4789 -15.4789 -5.0816 -5.0816 -5.0420 -5.0420 -2.9314 -2.9314 -2.9042 -2.9042 -2.8629 -2.8629 0.5369 0.5369 2.9114 2.9114 3.1576 3.1576 4.0022 4.0022 12.0267 12.0267 13.9582 13.9582 14.4716 14.4716 16.0764 16.0764 k = 0.0000 0.1936 0.1524 ( 1765 PWs) bands (ev): -15.4815 -15.4815 -5.0817 -5.0817 -5.0423 -5.0423 -2.9309 -2.9309 -2.9038 -2.9038 -2.8626 -2.8626 0.5428 0.5428 2.9202 2.9202 3.1613 3.1613 3.9185 3.9185 12.1232 12.1232 14.1053 14.1053 14.5847 14.5847 16.1755 16.1755 k = 0.0000 0.1834 0.1444 ( 1765 PWs) bands (ev): -15.4840 -15.4840 -5.0818 -5.0818 -5.0425 -5.0425 -2.9306 -2.9306 -2.9037 -2.9037 -2.8612 -2.8612 0.5509 0.5509 2.9284 2.9284 3.1647 3.1647 3.8340 3.8340 12.2173 12.2173 14.2507 14.2507 14.7055 14.7055 16.2770 16.2770 k = 0.0000 0.1732 0.1364 ( 1761 PWs) bands (ev): -15.4866 -15.4866 -5.0819 -5.0819 -5.0424 -5.0424 -2.9304 -2.9304 -2.9038 -2.9038 -2.8589 -2.8589 0.5611 0.5611 2.9360 2.9360 3.1677 3.1677 3.7492 3.7492 12.3089 12.3089 14.3923 14.3923 14.8349 14.8349 16.3811 16.3811 k = 0.0000 0.1631 0.1283 ( 1761 PWs) bands (ev): -15.4890 -15.4890 -5.0819 -5.0819 -5.0422 -5.0422 -2.9305 -2.9305 -2.9041 -2.9041 -2.8557 -2.8557 0.5733 0.5733 2.9431 2.9431 3.1704 3.1704 3.6646 3.6646 12.3978 12.3978 14.5288 14.5288 14.9732 14.9732 16.4876 16.4876 k = 0.0000 0.1529 0.1203 ( 1759 PWs) bands (ev): -15.4914 -15.4914 -5.0820 -5.0820 -5.0419 -5.0419 -2.9308 -2.9308 -2.9045 -2.9045 -2.8519 -2.8519 0.5874 0.5874 2.9496 2.9496 3.1727 3.1727 3.5808 3.5808 12.4839 12.4839 14.6594 14.6594 15.1201 15.1201 16.5965 16.5965 k = 0.0000 0.1427 0.1123 ( 1767 PWs) bands (ev): -15.4938 -15.4938 -5.0821 -5.0821 -5.0415 -5.0415 -2.9313 -2.9313 -2.9049 -2.9049 -2.8477 -2.8477 0.6031 0.6031 2.9554 2.9554 3.1746 3.1746 3.4982 3.4982 12.5670 12.5670 14.7840 14.7840 15.2742 15.2742 16.7077 16.7077 k = 0.0000 0.1325 0.1043 ( 1765 PWs) bands (ev): -15.4960 -15.4960 -5.0822 -5.0822 -5.0410 -5.0410 -2.9320 -2.9320 -2.9053 -2.9053 -2.8431 -2.8431 0.6205 0.6205 2.9605 2.9605 3.1762 3.1762 3.4177 3.4177 12.6468 12.6468 14.9032 14.9032 15.4337 15.4337 16.8212 16.8212 k = 0.0000 0.1223 0.0962 ( 1757 PWs) bands (ev): -15.4981 -15.4981 -5.0823 -5.0823 -5.0403 -5.0403 -2.9327 -2.9327 -2.9056 -2.9056 -2.8383 -2.8383 0.6391 0.6391 2.9650 2.9650 3.1772 3.1772 3.3398 3.3398 12.7232 12.7232 15.0176 15.0176 15.5965 15.5965 16.9369 16.9369 k = 0.0000 0.1121 0.0882 ( 1753 PWs) bands (ev): -15.5001 -15.5001 -5.0824 -5.0824 -5.0397 -5.0397 -2.9336 -2.9336 -2.9058 -2.9058 -2.8335 -2.8335 0.6587 0.6587 2.9685 2.9685 3.1772 3.1772 3.2660 3.2660 12.7956 12.7956 15.1274 15.1274 15.7605 15.7605 17.0545 17.0545 k = 0.0000 0.1019 0.0802 ( 1749 PWs) bands (ev): -15.5020 -15.5020 -5.0825 -5.0825 -5.0390 -5.0390 -2.9345 -2.9345 -2.9060 -2.9060 -2.8288 -2.8288 0.6790 0.6790 2.9708 2.9708 3.1701 3.1701 3.2033 3.2033 12.8639 12.8639 15.2328 15.2328 15.9238 15.9238 17.1740 17.1740 k = 0.0000 0.0917 0.0722 ( 1751 PWs) bands (ev): -15.5037 -15.5037 -5.0826 -5.0826 -5.0383 -5.0383 -2.9354 -2.9354 -2.9061 -2.9061 -2.8242 -2.8242 0.6996 0.6996 2.9708 2.9708 3.1228 3.1228 3.1863 3.1863 12.9276 12.9276 15.3335 15.3335 16.0845 16.0845 17.2949 17.2949 k = 0.0000 0.0815 0.0642 ( 1751 PWs) bands (ev): -15.5053 -15.5053 -5.0827 -5.0827 -5.0377 -5.0377 -2.9363 -2.9363 -2.9061 -2.9061 -2.8199 -2.8199 0.7201 0.7201 2.9660 2.9660 3.0687 3.0687 3.1850 3.1850 12.9862 12.9862 15.4290 15.4290 16.2406 16.2406 17.4170 17.4170 k = 0.0000 0.0713 0.0561 ( 1747 PWs) bands (ev): -15.5067 -15.5067 -5.0828 -5.0828 -5.0370 -5.0370 -2.9371 -2.9371 -2.9061 -2.9061 -2.8159 -2.8159 0.7400 0.7400 2.9489 2.9489 3.0303 3.0303 3.1850 3.1850 13.0394 13.0394 15.5183 15.5183 16.3901 16.3901 17.5394 17.5394 k = 0.0000 0.0611 0.0481 ( 1751 PWs) bands (ev): -15.5080 -15.5080 -5.0829 -5.0829 -5.0365 -5.0365 -2.9379 -2.9379 -2.9062 -2.9062 -2.8124 -2.8124 0.7588 0.7588 2.9155 2.9155 3.0133 3.0133 3.1852 3.1852 13.0866 13.0866 15.6002 15.6002 16.5306 16.5306 17.6614 17.6614 k = 0.0000 0.0510 0.0401 ( 1751 PWs) bands (ev): -15.5091 -15.5091 -5.0830 -5.0830 -5.0360 -5.0360 -2.9386 -2.9386 -2.9061 -2.9061 -2.8092 -2.8092 0.7760 0.7760 2.8768 2.8768 3.0078 3.0078 3.1855 3.1855 13.1275 13.1275 15.6735 15.6735 16.6597 16.6597 17.7813 17.7813 k = 0.0000 0.0408 0.0321 ( 1747 PWs) bands (ev): -15.5100 -15.5100 -5.0830 -5.0830 -5.0356 -5.0356 -2.9391 -2.9391 -2.9061 -2.9061 -2.8066 -2.8066 0.7910 0.7910 2.8412 2.8412 3.0061 3.0061 3.1857 3.1857 13.1616 13.1616 15.7366 15.7366 16.7739 16.7739 17.8968 17.8968 k = 0.0000 0.0306 0.0241 ( 1749 PWs) bands (ev): -15.5107 -15.5107 -5.0831 -5.0831 -5.0352 -5.0352 -2.9396 -2.9396 -2.9061 -2.9061 -2.8045 -2.8045 0.8033 0.8033 2.8119 2.8119 3.0057 3.0057 3.1859 3.1859 13.1886 13.1886 15.7879 15.7879 16.8696 16.8696 18.0036 18.0036 k = 0.0000 0.0204 0.0160 ( 1745 PWs) bands (ev): -15.5112 -15.5112 -5.0831 -5.0831 -5.0350 -5.0350 -2.9399 -2.9399 -2.9060 -2.9060 -2.8029 -2.8029 0.8125 0.8125 2.7902 2.7902 3.0057 3.0057 3.1860 3.1860 13.2081 13.2081 15.8259 15.8259 16.9425 16.9425 18.0946 18.0946 k = 0.0000 0.0102 0.0080 ( 1745 PWs) bands (ev): -15.5115 -15.5115 -5.0832 -5.0832 -5.0348 -5.0348 -2.9401 -2.9401 -2.9060 -2.9060 -2.8020 -2.8020 0.8182 0.8182 2.7769 2.7769 3.0058 3.0058 3.1861 3.1861 13.2199 13.2199 15.8492 15.8492 16.9885 16.9885 18.1587 18.1587 k = 0.0000 0.0000 0.0000 ( 1749 PWs) bands (ev): -15.5116 -15.5116 -5.0832 -5.0832 -5.0348 -5.0348 -2.9402 -2.9402 -2.9060 -2.9060 -2.8017 -2.8017 0.8201 0.8201 2.7724 2.7724 3.0058 3.0058 3.1861 3.1861 13.2238 13.2238 15.8571 15.8571 17.0042 17.0042 18.1823 18.1823 k = 0.0000 0.0000 0.0000 ( 1749 PWs) bands (ev): -15.5116 -15.5116 -5.0832 -5.0832 -5.0348 -5.0348 -2.9402 -2.9402 -2.9060 -2.9060 -2.8017 -2.8017 0.8201 0.8201 2.7724 2.7724 3.0058 3.0058 3.1861 3.1861 13.2238 13.2238 15.8571 15.8571 17.0042 17.0042 18.1823 18.1823 k = 0.0096 0.0054-0.0068 ( 1749 PWs) bands (ev): -15.5115 -15.5115 -5.0832 -5.0832 -5.0348 -5.0348 -2.9402 -2.9402 -2.9060 -2.9060 -2.8017 -2.8017 0.8202 0.8202 2.7722 2.7722 3.0057 3.0057 3.1875 3.1875 13.2156 13.2156 15.8439 15.8439 16.9945 16.9945 18.1610 18.1610 k = 0.0192 0.0107-0.0137 ( 1753 PWs) bands (ev): -15.5114 -15.5114 -5.0830 -5.0830 -5.0347 -5.0347 -2.9400 -2.9400 -2.9060 -2.9060 -2.8016 -2.8016 0.8206 0.8206 2.7717 2.7717 3.0053 3.0053 3.1917 3.1917 13.1911 13.1911 15.8055 15.8055 16.9661 16.9661 18.1046 18.1046 k = 0.0288 0.0161-0.0205 ( 1757 PWs) bands (ev): -15.5111 -15.5111 -5.0829 -5.0829 -5.0346 -5.0346 -2.9398 -2.9398 -2.9060 -2.9060 -2.8014 -2.8014 0.8212 0.8212 2.7708 2.7708 3.0047 3.0047 3.1987 3.1987 13.1506 13.1506 15.7450 15.7450 16.9211 16.9211 18.0268 18.0268 k = 0.0385 0.0215-0.0273 ( 1751 PWs) bands (ev): -15.5108 -15.5108 -5.0826 -5.0826 -5.0345 -5.0345 -2.9394 -2.9394 -2.9060 -2.9060 -2.8010 -2.8010 0.8222 0.8222 2.7696 2.7696 3.0039 3.0039 3.2083 3.2083 13.0947 13.0947 15.6667 15.6667 16.8624 16.8624 17.9378 17.9378 k = 0.0481 0.0269-0.0341 ( 1743 PWs) bands (ev): -15.5103 -15.5103 -5.0822 -5.0822 -5.0343 -5.0343 -2.9389 -2.9389 -2.9059 -2.9059 -2.8006 -2.8006 0.8235 0.8235 2.7680 2.7680 3.0028 3.0028 3.2206 3.2206 13.0239 13.0239 15.5752 15.5752 16.7928 16.7928 17.8434 17.8434 k = 0.0577 0.0322-0.0410 ( 1743 PWs) bands (ev): -15.5098 -15.5098 -5.0817 -5.0817 -5.0340 -5.0340 -2.9384 -2.9384 -2.9058 -2.9058 -2.8001 -2.8001 0.8252 0.8252 2.7661 2.7661 3.0015 3.0015 3.2353 3.2353 12.9393 12.9393 15.4747 15.4747 16.7148 16.7148 17.7467 17.7467 k = 0.0673 0.0376-0.0478 ( 1747 PWs) bands (ev): -15.5092 -15.5092 -5.0812 -5.0812 -5.0338 -5.0338 -2.9378 -2.9378 -2.9057 -2.9057 -2.7995 -2.7995 0.8274 0.8274 2.7638 2.7638 2.9999 2.9999 3.2524 3.2524 12.8418 12.8418 15.3687 15.3687 16.6307 16.6307 17.6494 17.6494 k = 0.0769 0.0430-0.0546 ( 1751 PWs) bands (ev): -15.5085 -15.5085 -5.0806 -5.0806 -5.0335 -5.0335 -2.9371 -2.9371 -2.9056 -2.9056 -2.7988 -2.7988 0.8301 0.8301 2.7612 2.7612 2.9980 2.9980 3.2716 3.2716 12.7325 12.7325 15.2598 15.2598 16.5422 16.5422 17.5527 17.5527 k = 0.0865 0.0484-0.0615 ( 1751 PWs) bands (ev): -15.5077 -15.5077 -5.0799 -5.0799 -5.0332 -5.0332 -2.9363 -2.9363 -2.9054 -2.9054 -2.7980 -2.7980 0.8334 0.8334 2.7582 2.7582 2.9959 2.9959 3.2928 3.2928 12.6129 12.6129 15.1502 15.1502 16.4507 16.4507 17.4571 17.4571 k = 0.0962 0.0537-0.0683 ( 1745 PWs) bands (ev): -15.5068 -15.5068 -5.0791 -5.0791 -5.0328 -5.0328 -2.9354 -2.9354 -2.9051 -2.9051 -2.7971 -2.7971 0.8375 0.8375 2.7548 2.7548 2.9935 2.9935 3.3157 3.3157 12.4841 12.4841 15.0412 15.0412 16.3574 16.3574 17.3629 17.3629 k = 0.1058 0.0591-0.0751 ( 1745 PWs) bands (ev): -15.5058 -15.5058 -5.0782 -5.0782 -5.0324 -5.0324 -2.9345 -2.9345 -2.9047 -2.9047 -2.7961 -2.7961 0.8423 0.8423 2.7511 2.7511 2.9908 2.9908 3.3401 3.3401 12.3476 12.3476 14.9340 14.9340 16.2631 16.2631 17.2706 17.2706 k = 0.1154 0.0645-0.0819 ( 1741 PWs) bands (ev): -15.5048 -15.5048 -5.0772 -5.0772 -5.0319 -5.0319 -2.9336 -2.9336 -2.9042 -2.9042 -2.7949 -2.7949 0.8480 0.8480 2.7471 2.7471 2.9879 2.9879 3.3657 3.3657 12.2047 12.2047 14.8290 14.8290 16.1687 16.1687 17.1802 17.1802 k = 0.1250 0.0699-0.0888 ( 1745 PWs) bands (ev): -15.5037 -15.5037 -5.0762 -5.0762 -5.0314 -5.0314 -2.9326 -2.9326 -2.9037 -2.9037 -2.7937 -2.7937 0.8546 0.8546 2.7428 2.7428 2.9847 2.9847 3.3923 3.3923 12.0566 12.0566 14.7267 14.7267 16.0746 16.0746 17.0919 17.0919 k = 0.1346 0.0752-0.0956 ( 1745 PWs) bands (ev): -15.5025 -15.5025 -5.0751 -5.0751 -5.0308 -5.0308 -2.9315 -2.9315 -2.9030 -2.9030 -2.7923 -2.7923 0.8623 0.8623 2.7381 2.7381 2.9813 2.9813 3.4195 3.4195 11.9046 11.9046 14.6274 14.6274 15.9812 15.9812 17.0058 17.0058 k = 0.1442 0.0806-0.1024 ( 1749 PWs) bands (ev): -15.5013 -15.5013 -5.0740 -5.0740 -5.0303 -5.0303 -2.9305 -2.9305 -2.9022 -2.9022 -2.7908 -2.7908 0.8711 0.8711 2.7332 2.7332 2.9777 2.9777 3.4470 3.4470 11.7499 11.7499 14.5312 14.5312 15.8891 15.8891 16.9219 16.9219 k = 0.1538 0.0860-0.1093 ( 1753 PWs) bands (ev): -15.5001 -15.5001 -5.0728 -5.0728 -5.0296 -5.0296 -2.9294 -2.9294 -2.9013 -2.9013 -2.7891 -2.7891 0.8811 0.8811 2.7279 2.7279 2.9738 2.9738 3.4746 3.4746 11.5936 11.5936 14.4381 14.4381 15.7984 15.7984 16.8403 16.8403 k = 0.1635 0.0914-0.1161 ( 1745 PWs) bands (ev): -15.4988 -15.4988 -5.0714 -5.0714 -5.0289 -5.0289 -2.9283 -2.9283 -2.9001 -2.9001 -2.7873 -2.7873 0.8923 0.8923 2.7224 2.7224 2.9697 2.9697 3.5018 3.5018 11.4366 11.4366 14.3480 14.3480 15.7094 15.7094 16.7610 16.7610 k = 0.1731 0.0967-0.1229 ( 1745 PWs) bands (ev): -15.4974 -15.4974 -5.0700 -5.0700 -5.0281 -5.0281 -2.9272 -2.9272 -2.8989 -2.8989 -2.7854 -2.7854 0.9050 0.9050 2.7166 2.7166 2.9654 2.9654 3.5284 3.5284 11.2798 11.2798 14.2611 14.2611 15.6224 15.6224 16.6840 16.6840 k = 0.1827 0.1021-0.1298 ( 1745 PWs) bands (ev): -15.4960 -15.4960 -5.0686 -5.0686 -5.0273 -5.0273 -2.9260 -2.9260 -2.8975 -2.8975 -2.7834 -2.7834 0.9190 0.9190 2.7106 2.7106 2.9609 2.9609 3.5540 3.5540 11.1241 11.1241 14.1772 14.1772 15.5374 15.5374 16.6093 16.6093 k = 0.1923 0.1075-0.1366 ( 1745 PWs) bands (ev): -15.4946 -15.4946 -5.0671 -5.0671 -5.0264 -5.0264 -2.9249 -2.9249 -2.8959 -2.8959 -2.7812 -2.7812 0.9345 0.9345 2.7043 2.7043 2.9562 2.9562 3.5783 3.5783 10.9703 10.9703 14.0963 14.0963 15.4546 15.4546 16.5370 16.5370 k = 0.2019 0.1129-0.1434 ( 1745 PWs) bands (ev): -15.4932 -15.4932 -5.0656 -5.0656 -5.0254 -5.0254 -2.9239 -2.9239 -2.8942 -2.8942 -2.7789 -2.7789 0.9516 0.9516 2.6978 2.6978 2.9513 2.9513 3.6009 3.6009 10.8191 10.8191 14.0183 14.0183 15.3741 15.3741 16.4671 16.4671 k = 0.2115 0.1182-0.1502 ( 1741 PWs) bands (ev): -15.4917 -15.4917 -5.0641 -5.0641 -5.0244 -5.0244 -2.9228 -2.9228 -2.8923 -2.8923 -2.7764 -2.7764 0.9702 0.9702 2.6912 2.6912 2.9463 2.9463 3.6214 3.6214 10.6710 10.6710 13.9432 13.9432 15.2960 15.2960 16.3995 16.3995 k = 0.2212 0.1236-0.1571 ( 1745 PWs) bands (ev): -15.4903 -15.4903 -5.0625 -5.0625 -5.0233 -5.0233 -2.9218 -2.9218 -2.8902 -2.8902 -2.7739 -2.7739 0.9905 0.9905 2.6844 2.6844 2.9411 2.9411 3.6396 3.6396 10.5266 10.5266 13.8710 13.8710 15.2204 15.2204 16.3342 16.3342 k = 0.2308 0.1290-0.1639 ( 1741 PWs) bands (ev): -15.4888 -15.4888 -5.0610 -5.0610 -5.0220 -5.0220 -2.9207 -2.9207 -2.8879 -2.8879 -2.7712 -2.7712 1.0125 1.0125 2.6774 2.6774 2.9358 2.9358 3.6550 3.6550 10.3865 10.3865 13.8016 13.8016 15.1474 15.1474 16.2713 16.2713 k = 0.2404 0.1344-0.1707 ( 1741 PWs) bands (ev): -15.4873 -15.4873 -5.0594 -5.0594 -5.0207 -5.0207 -2.9198 -2.9198 -2.8855 -2.8855 -2.7685 -2.7685 1.0362 1.0362 2.6703 2.6703 2.9304 2.9304 3.6674 3.6674 10.2512 10.2512 13.7349 13.7349 15.0769 15.0769 16.2107 16.2107 k = 0.2500 0.1397-0.1776 ( 1737 PWs) bands (ev): -15.4859 -15.4859 -5.0579 -5.0579 -5.0193 -5.0193 -2.9188 -2.9188 -2.8829 -2.8829 -2.7656 -2.7656 1.0616 1.0616 2.6632 2.6632 2.9249 2.9249 3.6765 3.6765 10.1210 10.1210 13.6711 13.6711 15.0090 15.0090 16.1524 16.1524 k = 0.2596 0.1451-0.1844 ( 1735 PWs) bands (ev): -15.4844 -15.4844 -5.0564 -5.0564 -5.0179 -5.0179 -2.9179 -2.9179 -2.8801 -2.8801 -2.7627 -2.7627 1.0888 1.0888 2.6559 2.6559 2.9194 2.9194 3.6820 3.6820 9.9963 9.9963 13.6099 13.6099 14.9437 14.9437 16.0965 16.0965 k = 0.2692 0.1505-0.1912 ( 1739 PWs) bands (ev): -15.4830 -15.4830 -5.0549 -5.0549 -5.0163 -5.0163 -2.9171 -2.9171 -2.8773 -2.8773 -2.7597 -2.7597 1.1178 1.1178 2.6486 2.6486 2.9138 2.9138 3.6835 3.6835 9.8775 9.8775 13.5514 13.5514 14.8811 14.8811 16.0428 16.0428 k = 0.2788 0.1559-0.1980 ( 1737 PWs) bands (ev): -15.4816 -15.4816 -5.0535 -5.0535 -5.0146 -5.0146 -2.9163 -2.9163 -2.8743 -2.8743 -2.7566 -2.7566 1.1486 1.1486 2.6413 2.6413 2.9081 2.9081 3.6810 3.6810 9.7648 9.7648 13.4956 13.4956 14.8212 14.8212 15.9915 15.9915 k = 0.2885 0.1612-0.2049 ( 1737 PWs) bands (ev): -15.4802 -15.4802 -5.0522 -5.0522 -5.0129 -5.0129 -2.9155 -2.9155 -2.8711 -2.8711 -2.7535 -2.7535 1.1812 1.1812 2.6340 2.6340 2.9025 2.9025 3.6742 3.6742 9.6584 9.6584 13.4425 13.4425 14.7639 14.7639 15.9424 15.9424 k = 0.2981 0.1666-0.2117 ( 1741 PWs) bands (ev): -15.4789 -15.4789 -5.0509 -5.0509 -5.0111 -5.0111 -2.9148 -2.9148 -2.8680 -2.8680 -2.7504 -2.7504 1.2156 1.2156 2.6268 2.6268 2.8969 2.8969 3.6630 3.6630 9.5585 9.5585 13.3919 13.3919 14.7094 14.7094 15.8956 15.8956 k = 0.3077 0.1720-0.2185 ( 1737 PWs) bands (ev): -15.4775 -15.4775 -5.0497 -5.0497 -5.0091 -5.0091 -2.9141 -2.9141 -2.8646 -2.8646 -2.7472 -2.7472 1.2519 1.2519 2.6196 2.6196 2.8913 2.8913 3.6474 3.6474 9.4651 9.4651 13.3439 13.3439 14.6574 14.6574 15.8511 15.8511 k = 0.3173 0.1774-0.2254 ( 1737 PWs) bands (ev): -15.4763 -15.4763 -5.0486 -5.0486 -5.0072 -5.0072 -2.9135 -2.9135 -2.8613 -2.8613 -2.7441 -2.7441 1.2899 1.2899 2.6126 2.6126 2.8858 2.8858 3.6272 3.6272 9.3783 9.3783 13.2985 13.2985 14.6082 14.6082 15.8088 15.8088 k = 0.3269 0.1827-0.2322 ( 1737 PWs) bands (ev): -15.4750 -15.4750 -5.0476 -5.0476 -5.0051 -5.0051 -2.9130 -2.9130 -2.8579 -2.8579 -2.7410 -2.7410 1.3296 1.3296 2.6057 2.6057 2.8804 2.8804 3.6026 3.6026 9.2981 9.2981 13.2556 13.2556 14.5616 14.5616 15.7687 15.7687 k = 0.3365 0.1881-0.2390 ( 1733 PWs) bands (ev): -15.4739 -15.4739 -5.0466 -5.0466 -5.0031 -5.0031 -2.9124 -2.9124 -2.8545 -2.8545 -2.7379 -2.7379 1.3711 1.3711 2.5989 2.5989 2.8751 2.8751 3.5737 3.5737 9.2244 9.2244 13.2153 13.2153 14.5177 14.5177 15.7309 15.7309 k = 0.3462 0.1935-0.2458 ( 1737 PWs) bands (ev): -15.4727 -15.4727 -5.0457 -5.0457 -5.0010 -5.0010 -2.9120 -2.9120 -2.8512 -2.8512 -2.7348 -2.7348 1.4142 1.4142 2.5924 2.5924 2.8699 2.8699 3.5405 3.5405 9.1571 9.1571 13.1774 13.1774 14.4764 14.4764 15.6953 15.6953 k = 0.3558 0.1989-0.2527 ( 1737 PWs) bands (ev): -15.4717 -15.4717 -5.0449 -5.0449 -4.9989 -4.9989 -2.9115 -2.9115 -2.8478 -2.8478 -2.7319 -2.7319 1.4588 1.4588 2.5861 2.5861 2.8649 2.8649 3.5034 3.5034 9.0959 9.0959 13.1419 13.1419 14.4378 14.4378 15.6619 15.6619 k = 0.3654 0.2042-0.2595 ( 1741 PWs) bands (ev): -15.4706 -15.4706 -5.0442 -5.0442 -4.9969 -4.9969 -2.9111 -2.9111 -2.8446 -2.8446 -2.7290 -2.7290 1.5049 1.5049 2.5801 2.5801 2.8601 2.8601 3.4627 3.4627 9.0406 9.0406 13.1089 13.1089 14.4017 14.4017 15.6308 15.6308 k = 0.3750 0.2096-0.2663 ( 1737 PWs) bands (ev): -15.4697 -15.4697 -5.0435 -5.0435 -4.9949 -4.9949 -2.9107 -2.9107 -2.8414 -2.8414 -2.7262 -2.7262 1.5523 1.5523 2.5743 2.5743 2.8555 2.8555 3.4186 3.4186 8.9911 8.9911 13.0783 13.0783 14.3682 14.3682 15.6018 15.6018 k = 0.3846 0.2150-0.2732 ( 1743 PWs) bands (ev): -15.4688 -15.4688 -5.0429 -5.0429 -4.9930 -4.9930 -2.9104 -2.9104 -2.8384 -2.8384 -2.7236 -2.7236 1.6009 1.6009 2.5689 2.5689 2.8511 2.8511 3.3717 3.3717 8.9469 8.9469 13.0500 13.0500 14.3373 14.3373 15.5750 15.5750 k = 0.3942 0.2204-0.2800 ( 1739 PWs) bands (ev): -15.4680 -15.4680 -5.0423 -5.0423 -4.9911 -4.9911 -2.9101 -2.9101 -2.8354 -2.8354 -2.7211 -2.7211 1.6503 1.6503 2.5638 2.5638 2.8471 2.8471 3.3223 3.3223 8.9079 8.9079 13.0242 13.0242 14.3089 14.3089 15.5504 15.5504 k = 0.4038 0.2257-0.2868 ( 1743 PWs) bands (ev): -15.4672 -15.4672 -5.0419 -5.0419 -4.9894 -4.9894 -2.9099 -2.9099 -2.8327 -2.8327 -2.7188 -2.7188 1.7004 1.7004 2.5592 2.5592 2.8432 2.8432 3.2710 3.2710 8.8736 8.8736 13.0006 13.0006 14.2831 14.2831 15.5279 15.5279 k = 0.4135 0.2311-0.2936 ( 1743 PWs) bands (ev): -15.4665 -15.4665 -5.0414 -5.0414 -4.9877 -4.9877 -2.9096 -2.9096 -2.8302 -2.8302 -2.7166 -2.7166 1.7507 1.7507 2.5549 2.5549 2.8397 2.8397 3.2185 3.2185 8.8437 8.8437 12.9794 12.9794 14.2598 14.2598 15.5076 15.5076 k = 0.4231 0.2365-0.3005 ( 1743 PWs) bands (ev): -15.4659 -15.4659 -5.0410 -5.0410 -4.9862 -4.9862 -2.9094 -2.9094 -2.8278 -2.8278 -2.7146 -2.7146 1.8008 1.8008 2.5511 2.5511 2.8365 2.8365 3.1656 3.1656 8.8180 8.8180 12.9604 12.9604 14.2390 14.2390 15.4895 15.4895 k = 0.4327 0.2419-0.3073 ( 1747 PWs) bands (ev): -15.4653 -15.4653 -5.0407 -5.0407 -4.9849 -4.9849 -2.9092 -2.9092 -2.8257 -2.8257 -2.7128 -2.7128 1.8500 1.8500 2.5478 2.5478 2.8337 2.8337 3.1131 3.1131 8.7961 8.7961 12.9438 12.9438 14.2207 14.2207 15.4735 15.4735 k = 0.4423 0.2472-0.3141 ( 1743 PWs) bands (ev): -15.4648 -15.4648 -5.0404 -5.0404 -4.9836 -4.9836 -2.9091 -2.9091 -2.8238 -2.8238 -2.7113 -2.7113 1.8976 1.8976 2.5450 2.5450 2.8312 2.8312 3.0620 3.0620 8.7777 8.7777 12.9294 12.9294 14.2048 14.2048 15.4596 15.4596 k = 0.4519 0.2526-0.3210 ( 1743 PWs) bands (ev): -15.4644 -15.4644 -5.0402 -5.0402 -4.9826 -4.9826 -2.9089 -2.9089 -2.8222 -2.8222 -2.7099 -2.7099 1.9424 1.9424 2.5428 2.5428 2.8290 2.8290 3.0137 3.0137 8.7626 8.7626 12.9172 12.9172 14.1915 14.1915 15.4479 15.4479 k = 0.4615 0.2580-0.3278 ( 1743 PWs) bands (ev): -15.4641 -15.4641 -5.0400 -5.0400 -4.9817 -4.9817 -2.9088 -2.9088 -2.8209 -2.8209 -2.7088 -2.7088 1.9831 1.9831 2.5411 2.5411 2.8273 2.8273 2.9696 2.9696 8.7506 8.7506 12.9073 12.9073 14.1805 14.1805 15.4383 15.4383 k = 0.4712 0.2634-0.3346 ( 1741 PWs) bands (ev): -15.4638 -15.4638 -5.0398 -5.0398 -4.9810 -4.9810 -2.9087 -2.9087 -2.8198 -2.8198 -2.7079 -2.7079 2.0179 2.0179 2.5399 2.5399 2.8260 2.8260 2.9318 2.9318 8.7415 8.7415 12.8995 12.8995 14.1720 14.1720 15.4309 15.4309 k = 0.4808 0.2687-0.3415 ( 1736 PWs) bands (ev): -15.4636 -15.4636 -5.0397 -5.0397 -4.9805 -4.9805 -2.9087 -2.9087 -2.8190 -2.8190 -2.7072 -2.7072 2.0450 2.0450 2.5392 2.5392 2.8250 2.8250 2.9024 2.9024 8.7351 8.7351 12.8940 12.8940 14.1660 14.1660 15.4256 15.4256 k = 0.4904 0.2741-0.3483 ( 1736 PWs) bands (ev): -15.4635 -15.4635 -5.0396 -5.0396 -4.9802 -4.9802 -2.9086 -2.9086 -2.8186 -2.8186 -2.7068 -2.7068 2.0622 2.0622 2.5389 2.5389 2.8245 2.8245 2.8835 2.8835 8.7313 8.7313 12.8907 12.8907 14.1623 14.1623 15.4224 15.4224 k = 0.5000 0.2795-0.3551 ( 1744 PWs) bands (ev): -15.4635 -15.4635 -5.0396 -5.0396 -4.9801 -4.9801 -2.9086 -2.9086 -2.8185 -2.8185 -2.7068 -2.7068 2.0682 2.0682 2.5388 2.5388 2.8244 2.8244 2.8770 2.8770 8.7300 8.7300 12.8896 12.8896 14.1611 14.1611 15.4213 15.4213 k = 0.5000 0.2795-0.3551 ( 1744 PWs) bands (ev): -15.4635 -15.4635 -5.0396 -5.0396 -4.9801 -4.9801 -2.9086 -2.9086 -2.8185 -2.8185 -2.7068 -2.7068 2.0682 2.0682 2.5388 2.5388 2.8244 2.8244 2.8770 2.8770 8.7300 8.7300 12.8896 12.8896 14.1611 14.1611 15.4213 15.4213 k = 0.5086 0.2736-0.3476 ( 1740 PWs) bands (ev): -15.4634 -15.4634 -5.0396 -5.0396 -4.9801 -4.9801 -2.9086 -2.9086 -2.8186 -2.8186 -2.7069 -2.7069 2.0689 2.0689 2.5380 2.5380 2.7746 2.7746 2.9293 2.9293 8.7307 8.7307 12.8835 12.8835 14.1474 14.1474 15.4386 15.4386 k = 0.5172 0.2677-0.3401 ( 1740 PWs) bands (ev): -15.4633 -15.4633 -5.0397 -5.0397 -4.9802 -4.9802 -2.9085 -2.9085 -2.8192 -2.8192 -2.7072 -2.7072 2.0710 2.0710 2.5354 2.5354 2.7083 2.7083 3.0031 3.0031 8.7327 8.7327 12.8652 12.8652 14.1081 14.1081 15.4883 15.4883 k = 0.5258 0.2618-0.3327 ( 1738 PWs) bands (ev): -15.4631 -15.4631 -5.0399 -5.0399 -4.9802 -4.9802 -2.9083 -2.9083 -2.8200 -2.8200 -2.7078 -2.7078 2.0745 2.0745 2.5297 2.5297 2.6449 2.6449 3.0804 3.0804 8.7360 8.7360 12.8353 12.8353 14.0482 14.0482 15.5655 15.5655 k = 0.5344 0.2559-0.3252 ( 1736 PWs) bands (ev): -15.4628 -15.4628 -5.0401 -5.0401 -4.9802 -4.9802 -2.9081 -2.9081 -2.8212 -2.8212 -2.7086 -2.7086 2.0794 2.0794 2.5163 2.5163 2.5904 2.5904 3.1597 3.1597 8.7407 8.7407 12.7945 12.7945 13.9730 13.9730 15.6644 15.6644 k = 0.5430 0.2500-0.3177 ( 1740 PWs) bands (ev): -15.4624 -15.4624 -5.0405 -5.0405 -4.9803 -4.9803 -2.9078 -2.9078 -2.8228 -2.8228 -2.7097 -2.7097 2.0857 2.0857 2.4832 2.4832 2.5570 2.5570 3.2407 3.2407 8.7468 8.7468 12.7437 12.7437 13.8870 13.8870 15.7800 15.7800 k = 0.5517 0.2441-0.3102 ( 1736 PWs) bands (ev): -15.4619 -15.4619 -5.0408 -5.0408 -4.9803 -4.9803 -2.9074 -2.9074 -2.8247 -2.8247 -2.7108 -2.7108 2.0933 2.0933 2.4329 2.4329 2.5425 2.5425 3.3231 3.3231 8.7542 8.7542 12.6841 12.6841 13.7938 13.7938 15.9087 15.9087 k = 0.5603 0.2383-0.3027 ( 1736 PWs) bands (ev): -15.4613 -15.4613 -5.0412 -5.0412 -4.9804 -4.9804 -2.9069 -2.9069 -2.8270 -2.8270 -2.7122 -2.7122 2.1021 2.1021 2.3785 2.3785 2.5336 2.5336 3.4066 3.4066 8.7630 8.7630 12.6168 12.6168 13.6955 13.6955 16.0477 16.0477 k = 0.5689 0.2324-0.2952 ( 1736 PWs) bands (ev): -15.4607 -15.4607 -5.0417 -5.0417 -4.9804 -4.9804 -2.9063 -2.9063 -2.8296 -2.8296 -2.7136 -2.7136 2.1121 2.1121 2.3248 2.3248 2.5260 2.5260 3.4910 3.4910 8.7733 8.7733 12.5430 12.5430 13.5938 13.5938 16.1951 16.1951 k = 0.5775 0.2265-0.2877 ( 1726 PWs) bands (ev): -15.4600 -15.4600 -5.0423 -5.0423 -4.9803 -4.9803 -2.9056 -2.9056 -2.8325 -2.8325 -2.7151 -2.7151 2.1231 2.1231 2.2731 2.2731 2.5185 2.5185 3.5761 3.5761 8.7849 8.7849 12.4639 12.4639 13.4897 13.4897 16.3494 16.3494 k = 0.5861 0.2206-0.2803 ( 1726 PWs) bands (ev): -15.4593 -15.4593 -5.0429 -5.0429 -4.9802 -4.9802 -2.9047 -2.9047 -2.8357 -2.8357 -2.7167 -2.7167 2.1346 2.1346 2.2242 2.2242 2.5105 2.5105 3.6614 3.6614 8.7980 8.7980 12.3807 12.3807 13.3841 13.3841 16.5098 16.5098 k = 0.5947 0.2147-0.2728 ( 1728 PWs) bands (ev): -15.4584 -15.4584 -5.0436 -5.0436 -4.9801 -4.9801 -2.9037 -2.9037 -2.8393 -2.8393 -2.7184 -2.7184 2.1435 2.1435 2.1814 2.1814 2.5020 2.5020 3.7468 3.7468 8.8126 8.8126 12.2944 12.2944 13.2776 13.2776 16.6755 16.6755 k = 0.6033 0.2088-0.2653 ( 1728 PWs) bands (ev): -15.4576 -15.4576 -5.0444 -5.0444 -4.9799 -4.9799 -2.9025 -2.9025 -2.8432 -2.8432 -2.7201 -2.7201 2.1236 2.1236 2.1709 2.1709 2.4930 2.4930 3.8319 3.8319 8.8286 8.8286 12.2060 12.2060 13.1706 13.1706 16.8458 16.8458 k = 0.6119 0.2029-0.2578 ( 1734 PWs) bands (ev): -15.4567 -15.4567 -5.0453 -5.0453 -4.9797 -4.9797 -2.9012 -2.9012 -2.8473 -2.8473 -2.7218 -2.7218 2.0842 2.0842 2.1834 2.1834 2.4833 2.4833 3.9164 3.9164 8.8461 8.8461 12.1162 12.1162 13.0638 13.0638 17.0203 17.0203 k = 0.6205 0.1970-0.2503 ( 1730 PWs) bands (ev): -15.4557 -15.4557 -5.0462 -5.0462 -4.9793 -4.9793 -2.8997 -2.8997 -2.8516 -2.8516 -2.7234 -2.7234 2.0452 2.0452 2.1990 2.1990 2.4730 2.4730 3.9999 3.9999 8.8652 8.8652 12.0260 12.0260 12.9576 12.9576 17.1987 17.1987 k = 0.6291 0.1911-0.2428 ( 1726 PWs) bands (ev): -15.4547 -15.4547 -5.0472 -5.0472 -4.9789 -4.9789 -2.8979 -2.8979 -2.8560 -2.8560 -2.7250 -2.7250 2.0083 2.0083 2.2157 2.2157 2.4622 2.4622 4.0821 4.0821 8.8858 8.8858 11.9360 11.9360 12.8523 12.8523 17.3807 17.3807 k = 0.6377 0.1852-0.2353 ( 1728 PWs) bands (ev): -15.4537 -15.4537 -5.0482 -5.0482 -4.9783 -4.9783 -2.8959 -2.8959 -2.8607 -2.8607 -2.7266 -2.7266 1.9738 1.9738 2.2331 2.2331 2.4509 2.4509 4.1624 4.1624 8.9080 8.9080 11.8468 11.8468 12.7486 12.7486 17.5659 17.5659 k = 0.6464 0.1793-0.2279 ( 1728 PWs) bands (ev): -15.4527 -15.4527 -5.0492 -5.0492 -4.9777 -4.9777 -2.8936 -2.8936 -2.8654 -2.8654 -2.7281 -2.7281 1.9419 1.9419 2.2510 2.2510 2.4393 2.4393 4.2405 4.2405 8.9318 8.9318 11.7591 11.7591 12.6467 12.6467 17.7542 17.7542 k = 0.6550 0.1734-0.2204 ( 1728 PWs) bands (ev): -15.4516 -15.4516 -5.0502 -5.0502 -4.9769 -4.9769 -2.8912 -2.8912 -2.8702 -2.8702 -2.7296 -2.7296 1.9126 1.9126 2.2689 2.2689 2.4275 2.4275 4.3159 4.3159 8.9572 8.9572 11.6735 11.6735 12.5472 12.5472 17.9454 17.9454 k = 0.6636 0.1676-0.2129 ( 1734 PWs) bands (ev): -15.4506 -15.4506 -5.0514 -5.0514 -4.9761 -4.9761 -2.8885 -2.8885 -2.8750 -2.8750 -2.7310 -2.7310 1.8858 1.8858 2.2864 2.2864 2.4161 2.4161 4.3881 4.3881 8.9842 8.9842 11.5905 11.5905 12.4503 12.4503 18.1392 18.1392 k = 0.6722 0.1617-0.2054 ( 1734 PWs) bands (ev): -15.4495 -15.4495 -5.0524 -5.0524 -4.9751 -4.9751 -2.8857 -2.8857 -2.8795 -2.8795 -2.7324 -2.7324 1.8615 1.8615 2.3024 2.3024 2.4060 2.4060 4.4567 4.4567 9.0129 9.0129 11.5107 11.5107 12.3566 12.3566 18.3354 18.3354 k = 0.6808 0.1558-0.1979 ( 1738 PWs) bands (ev): -15.4485 -15.4485 -5.0535 -5.0535 -4.9741 -4.9741 -2.8858 -2.8858 -2.8809 -2.8809 -2.7337 -2.7337 1.8398 1.8398 2.3147 2.3147 2.3994 2.3994 4.5211 4.5211 9.0432 9.0432 11.4344 11.4344 12.2664 12.2664 18.5337 18.5337 k = 0.6894 0.1499-0.1904 ( 1738 PWs) bands (ev): -15.4474 -15.4474 -5.0545 -5.0545 -4.9729 -4.9729 -2.8899 -2.8899 -2.8777 -2.8777 -2.7349 -2.7349 1.8206 1.8206 2.3200 2.3200 2.3994 2.3994 4.5808 4.5808 9.0751 9.0751 11.3622 11.3622 12.1801 12.1801 18.7337 18.7337 k = 0.6980 0.1440-0.1829 ( 1738 PWs) bands (ev): -15.4464 -15.4464 -5.0555 -5.0555 -4.9716 -4.9716 -2.8944 -2.8944 -2.8738 -2.8738 -2.7361 -2.7361 1.8040 1.8040 2.3165 2.3165 2.4079 2.4079 4.6353 4.6353 9.1087 9.1087 11.2944 11.2944 12.0981 12.0981 18.9346 18.9346 k = 0.7066 0.1381-0.1755 ( 1742 PWs) bands (ev): -15.4454 -15.4454 -5.0564 -5.0564 -4.9702 -4.9702 -2.8987 -2.8987 -2.8694 -2.8694 -2.7372 -2.7372 1.7898 1.7898 2.3064 2.3064 2.4225 2.4225 4.6841 4.6841 9.1440 9.1440 11.2315 11.2315 12.0207 12.0207 19.1339 19.1339 k = 0.7152 0.1322-0.1680 ( 1740 PWs) bands (ev): -15.4444 -15.4444 -5.0573 -5.0573 -4.9687 -4.9687 -2.9029 -2.9029 -2.8647 -2.8647 -2.7383 -2.7383 1.7781 1.7781 2.2927 2.2927 2.4404 2.4404 4.7268 4.7268 9.1809 9.1809 11.1737 11.1737 11.9483 11.9483 19.3219 19.3219 k = 0.7238 0.1263-0.1605 ( 1740 PWs) bands (ev): -15.4435 -15.4435 -5.0581 -5.0581 -4.9671 -4.9671 -2.9068 -2.9068 -2.8597 -2.8597 -2.7393 -2.7393 1.7689 1.7689 2.2769 2.2769 2.4598 2.4598 4.7628 4.7628 9.2194 9.2194 11.1212 11.1212 11.8815 11.8815 19.4191 19.4191 k = 0.7325 0.1204-0.1530 ( 1736 PWs) bands (ev): -15.4426 -15.4426 -5.0588 -5.0588 -4.9653 -4.9653 -2.9106 -2.9106 -2.8543 -2.8543 -2.7402 -2.7402 1.7621 1.7621 2.2599 2.2599 2.4800 2.4800 4.7919 4.7919 9.2596 9.2596 11.0740 11.0740 11.8206 11.8206 19.2753 19.2753 k = 0.7411 0.1145-0.1455 ( 1748 PWs) bands (ev): -15.4418 -15.4418 -5.0596 -5.0596 -4.9636 -4.9636 -2.9141 -2.9141 -2.8486 -2.8486 -2.7412 -2.7412 1.7577 1.7577 2.2421 2.2421 2.5004 2.5004 4.8136 4.8136 9.3013 9.3013 11.0322 11.0322 11.7660 11.7660 19.0638 19.0638 k = 0.7497 0.1086-0.1380 ( 1752 PWs) bands (ev): -15.4410 -15.4410 -5.0602 -5.0602 -4.9616 -4.9616 -2.9173 -2.9173 -2.8426 -2.8426 -2.7420 -2.7420 1.7557 1.7557 2.2236 2.2236 2.5209 2.5209 4.8278 4.8278 9.3446 9.3446 10.9956 10.9956 11.7185 11.7185 18.8438 18.8438 k = 0.7583 0.1028-0.1306 ( 1748 PWs) bands (ev): -15.4402 -15.4402 -5.0607 -5.0607 -4.9596 -4.9596 -2.9202 -2.9202 -2.8363 -2.8363 -2.7428 -2.7428 1.7562 1.7562 2.2047 2.2047 2.5413 2.5413 4.8343 4.8343 9.3894 9.3894 10.9639 10.9639 11.6783 11.6783 18.6229 18.6229 k = 0.7669 0.0969-0.1231 ( 1744 PWs) bands (ev): -15.4395 -15.4395 -5.0612 -5.0612 -4.9574 -4.9574 -2.9228 -2.9228 -2.8297 -2.8297 -2.7435 -2.7435 1.7590 1.7590 2.1855 2.1855 2.5615 2.5615 4.8330 4.8330 9.4355 9.4355 10.9367 10.9367 11.6462 11.6462 18.4031 18.4031 k = 0.7755 0.0910-0.1156 ( 1744 PWs) bands (ev): -15.4388 -15.4388 -5.0616 -5.0616 -4.9552 -4.9552 -2.9251 -2.9251 -2.8228 -2.8228 -2.7441 -2.7441 1.7642 1.7642 2.1660 2.1660 2.5813 2.5813 4.8240 4.8240 9.4828 9.4828 10.9138 10.9138 11.6226 11.6226 18.1850 18.1850 k = 0.7841 0.0851-0.1081 ( 1750 PWs) bands (ev): -15.4382 -15.4382 -5.0620 -5.0620 -4.9529 -4.9529 -2.9272 -2.9272 -2.8158 -2.8158 -2.7447 -2.7447 1.7716 1.7716 2.1465 2.1465 2.6007 2.6007 4.8073 4.8073 9.5311 9.5311 10.8947 10.8947 11.6078 11.6078 17.9690 17.9690 k = 0.7927 0.0792-0.1006 ( 1746 PWs) bands (ev): -15.4376 -15.4376 -5.0622 -5.0622 -4.9505 -4.9505 -2.9289 -2.9289 -2.8086 -2.8086 -2.7451 -2.7451 1.7814 1.7814 2.1269 2.1269 2.6196 2.6196 4.7834 4.7834 9.5801 9.5801 10.8792 10.8792 11.6021 11.6021 17.7554 17.7554 k = 0.8013 0.0733-0.0931 ( 1742 PWs) bands (ev): -15.4371 -15.4371 -5.0624 -5.0624 -4.9480 -4.9480 -2.9304 -2.9304 -2.8012 -2.8012 -2.7454 -2.7454 1.7935 1.7935 2.1075 2.1075 2.6380 2.6380 4.7524 4.7524 9.6293 9.6293 10.8673 10.8673 11.6055 11.6055 17.5443 17.5443 k = 0.8099 0.0674-0.0856 ( 1744 PWs) bands (ev): -15.4367 -15.4367 -5.0626 -5.0626 -4.9455 -4.9455 -2.9316 -2.9316 -2.7939 -2.7939 -2.7454 -2.7454 1.8077 1.8077 2.0882 2.0882 2.6558 2.6558 4.7148 4.7148 9.6783 9.6783 10.8590 10.8590 11.6179 11.6179 17.3358 17.3358 k = 0.8185 0.0615-0.0782 ( 1744 PWs) bands (ev): -15.4363 -15.4363 -5.0628 -5.0628 -4.9429 -4.9429 -2.9325 -2.9325 -2.7868 -2.7868 -2.7452 -2.7452 1.8241 1.8241 2.0693 2.0693 2.6730 2.6730 4.6710 4.6710 9.7264 9.7264 10.8547 10.8547 11.6387 11.6387 17.1302 17.1302 k = 0.8272 0.0556-0.0707 ( 1744 PWs) bands (ev): -15.4359 -15.4359 -5.0629 -5.0629 -4.9403 -4.9403 -2.9332 -2.9332 -2.7800 -2.7800 -2.7444 -2.7444 1.8424 1.8424 2.0510 2.0510 2.6895 2.6895 4.6216 4.6216 9.7730 9.7730 10.8551 10.8551 11.6676 11.6676 16.9276 16.9276 k = 0.8272 0.0556-0.0707 ( 1744 PWs) bands (ev): -15.4359 -15.4359 -5.0629 -5.0629 -4.9403 -4.9403 -2.9332 -2.9332 -2.7800 -2.7800 -2.7444 -2.7444 1.8424 1.8424 2.0510 2.0510 2.6895 2.6895 4.6216 4.6216 9.7730 9.7730 10.8551 10.8551 11.6676 11.6676 16.9276 16.9276 k = 0.8259 0.0477-0.0607 ( 1740 PWs) bands (ev): -15.4357 -15.4357 -5.0629 -5.0629 -4.9386 -4.9386 -2.9335 -2.9335 -2.7758 -2.7758 -2.7435 -2.7435 1.8543 1.8543 2.0394 2.0394 2.7015 2.7015 4.5862 4.5862 9.8010 9.8010 10.8573 10.8573 11.6943 11.6943 16.7929 16.7929 k = 0.8246 0.0399-0.0506 ( 1742 PWs) bands (ev): -15.4355 -15.4355 -5.0630 -5.0630 -4.9369 -4.9369 -2.9338 -2.9338 -2.7722 -2.7722 -2.7421 -2.7421 1.8644 1.8644 2.0286 2.0286 2.7155 2.7155 4.5498 4.5498 9.8243 9.8243 10.8596 10.8596 11.7308 11.7308 16.6585 16.6585 k = 0.8233 0.0320-0.0406 ( 1746 PWs) bands (ev): -15.4354 -15.4354 -5.0631 -5.0631 -4.9352 -4.9352 -2.9340 -2.9340 -2.7695 -2.7695 -2.7402 -2.7402 1.8727 1.8727 2.0188 2.0188 2.7311 2.7311 4.5129 4.5129 9.8434 9.8434 10.8615 10.8615 11.7761 11.7761 16.5253 16.5253 k = 0.8220 0.0241-0.0306 ( 1746 PWs) bands (ev): -15.4353 -15.4353 -5.0631 -5.0631 -4.9336 -4.9336 -2.9340 -2.9340 -2.7676 -2.7676 -2.7375 -2.7375 1.8797 1.8797 2.0099 2.0099 2.7478 2.7478 4.4758 4.4758 9.8588 9.8588 10.8626 10.8626 11.8290 11.8290 16.3946 16.3946 k = 0.8207 0.0162-0.0206 ( 1747 PWs) bands (ev): -15.4352 -15.4352 -5.0632 -5.0632 -4.9320 -4.9320 -2.9340 -2.9340 -2.7666 -2.7666 -2.7341 -2.7341 1.8854 1.8854 2.0021 2.0021 2.7653 2.7653 4.4388 4.4388 9.8713 9.8713 10.8631 10.8631 11.8876 11.8876 16.2675 16.2675 k = 0.8194 0.0083-0.0106 ( 1747 PWs) bands (ev): -15.4351 -15.4351 -5.0633 -5.0633 -4.9305 -4.9305 -2.9339 -2.9339 -2.7664 -2.7664 -2.7302 -2.7302 1.8901 1.8901 1.9955 1.9955 2.7827 2.7827 4.4024 4.4024 9.8814 9.8814 10.8631 10.8631 11.9500 11.9500 16.1456 16.1456 k = 0.8181 0.0004-0.0005 ( 1749 PWs) bands (ev): -15.4350 -15.4350 -5.0633 -5.0633 -4.9291 -4.9291 -2.9336 -2.9336 -2.7667 -2.7667 -2.7259 -2.7259 1.8941 1.8941 1.9901 1.9901 2.7997 2.7997 4.3670 4.3670 9.8896 9.8896 10.8629 10.8629 12.0138 12.0138 16.0303 16.0303 k = 0.8168-0.0075 0.0095 ( 1753 PWs) bands (ev): -15.4350 -15.4350 -5.0634 -5.0634 -4.9277 -4.9277 -2.9333 -2.9333 -2.7677 -2.7677 -2.7214 -2.7214 1.8973 1.8973 1.9861 1.9861 2.8155 2.8155 4.3330 4.3330 9.8966 9.8966 10.8628 10.8628 12.0766 12.0766 15.9234 15.9234 k = 0.8155-0.0153 0.0195 ( 1751 PWs) bands (ev): -15.4349 -15.4349 -5.0634 -5.0634 -4.9263 -4.9263 -2.9328 -2.9328 -2.7689 -2.7689 -2.7167 -2.7167 1.9001 1.9001 1.9836 1.9836 2.8295 2.8295 4.3010 4.3010 9.9027 9.9027 10.8632 10.8632 12.1360 12.1360 15.8268 15.8268 k = 0.8142-0.0232 0.0295 ( 1753 PWs) bands (ev): -15.4349 -15.4349 -5.0635 -5.0635 -4.9251 -4.9251 -2.9322 -2.9322 -2.7705 -2.7705 -2.7120 -2.7120 1.9025 1.9025 1.9827 1.9827 2.8412 2.8412 4.2713 4.2713 9.9083 9.9083 10.8643 10.8643 12.1894 12.1894 15.7426 15.7426 k = 0.8129-0.0311 0.0395 ( 1755 PWs) bands (ev): -15.4349 -15.4349 -5.0635 -5.0635 -4.9238 -4.9238 -2.9315 -2.9315 -2.7724 -2.7724 -2.7074 -2.7074 1.9047 1.9047 1.9835 1.9835 2.8500 2.8500 4.2444 4.2444 9.9138 9.9138 10.8664 10.8664 12.2344 12.2344 15.6728 15.6728 k = 0.8117-0.0390 0.0496 ( 1753 PWs) bands (ev): -15.4349 -15.4349 -5.0635 -5.0635 -4.9227 -4.9227 -2.9307 -2.9307 -2.7745 -2.7745 -2.7027 -2.7027 1.9066 1.9066 1.9860 1.9860 2.8553 2.8553 4.2208 4.2208 9.9192 9.9192 10.8697 10.8697 12.2688 12.2688 15.6192 15.6192 k = 0.8104-0.0469 0.0596 ( 1755 PWs) bands (ev): -15.4349 -15.4349 -5.0635 -5.0635 -4.9216 -4.9216 -2.9298 -2.9298 -2.7769 -2.7769 -2.6983 -2.6983 1.9085 1.9085 1.9903 1.9903 2.8566 2.8566 4.2008 4.2008 9.9249 9.9249 10.8744 10.8744 12.2907 12.2907 15.5836 15.5836 k = 0.8091-0.0548 0.0696 ( 1755 PWs) bands (ev): -15.4349 -15.4349 -5.0635 -5.0635 -4.9206 -4.9206 -2.9287 -2.9287 -2.7794 -2.7794 -2.6939 -2.6939 1.9105 1.9105 1.9964 1.9964 2.8536 2.8536 4.1846 4.1846 9.9309 9.9309 10.8805 10.8805 12.2986 12.2986 15.5670 15.5670 k = 0.8078-0.0627 0.0796 ( 1753 PWs) bands (ev): -15.4349 -15.4349 -5.0634 -5.0634 -4.9196 -4.9196 -2.9276 -2.9276 -2.7820 -2.7820 -2.6898 -2.6898 1.9126 1.9126 2.0043 2.0043 2.8461 2.8461 4.1725 4.1725 9.9374 9.9374 10.8882 10.8882 12.2920 12.2920 15.5701 15.5701 k = 0.8065-0.0705 0.0896 ( 1751 PWs) bands (ev): -15.4349 -15.4349 -5.0634 -5.0634 -4.9187 -4.9187 -2.9263 -2.9263 -2.7849 -2.7849 -2.6858 -2.6858 1.9151 1.9151 2.0139 2.0139 2.8339 2.8339 4.1645 4.1645 9.9444 9.9444 10.8976 10.8976 12.2709 12.2709 15.5927 15.5927 k = 0.8052-0.0784 0.0996 ( 1749 PWs) bands (ev): -15.4349 -15.4349 -5.0633 -5.0633 -4.9179 -4.9179 -2.9250 -2.9250 -2.7878 -2.7878 -2.6820 -2.6820 1.9180 1.9180 2.0253 2.0253 2.8171 2.8171 4.1604 4.1604 9.9519 9.9519 10.9086 10.9086 12.2361 12.2361 15.6340 15.6340 k = 0.8039-0.0863 0.1097 ( 1747 PWs) bands (ev): -15.4349 -15.4349 -5.0632 -5.0632 -4.9172 -4.9172 -2.9235 -2.9235 -2.7909 -2.7909 -2.6784 -2.6784 1.9214 1.9214 2.0382 2.0382 2.7958 2.7958 4.1600 4.1600 9.9598 9.9598 10.9214 10.9214 12.1889 12.1889 15.6927 15.6927 k = 0.8026-0.0942 0.1197 ( 1751 PWs) bands (ev): -15.4349 -15.4349 -5.0632 -5.0632 -4.9166 -4.9166 -2.9220 -2.9220 -2.7941 -2.7941 -2.6751 -2.6751 1.9254 1.9254 2.0528 2.0528 2.7702 2.7702 4.1631 4.1631 9.9681 9.9681 10.9358 10.9358 12.1312 12.1312 15.7670 15.7670 k = 0.8013-0.1021 0.1297 ( 1749 PWs) bands (ev): -15.4350 -15.4350 -5.0631 -5.0631 -4.9160 -4.9160 -2.9204 -2.9204 -2.7974 -2.7974 -2.6721 -2.6721 1.9299 1.9299 2.0689 2.0689 2.7408 2.7408 4.1692 4.1692 9.9767 9.9767 10.9519 10.9519 12.0650 12.0650 15.8549 15.8549 k = 0.8000-0.1100 0.1397 ( 1741 PWs) bands (ev): -15.4350 -15.4350 -5.0630 -5.0630 -4.9155 -4.9155 -2.9186 -2.9186 -2.8008 -2.8008 -2.6692 -2.6692 1.9351 1.9351 2.0867 2.0867 2.7080 2.7080 4.1779 4.1779 9.9854 9.9854 10.9694 10.9694 11.9926 11.9926 15.9547 15.9547 k = 0.7987-0.1179 0.1497 ( 1745 PWs) bands (ev): -15.4350 -15.4350 -5.0629 -5.0629 -4.9152 -4.9152 -2.9168 -2.9168 -2.8042 -2.8042 -2.6667 -2.6667 1.9409 1.9409 2.1058 2.1058 2.6721 2.6721 4.1887 4.1887 9.9940 9.9940 10.9883 10.9883 11.9161 11.9161 16.0643 16.0643 k = 0.7974-0.1257 0.1598 ( 1749 PWs) bands (ev): -15.4351 -15.4351 -5.0629 -5.0629 -4.9149 -4.9149 -2.9150 -2.9150 -2.8078 -2.8078 -2.6644 -2.6644 1.9474 1.9474 2.1264 2.1264 2.6337 2.6337 4.2011 4.2011 10.0022 10.0022 11.0082 11.0082 11.8378 11.8378 16.1821 16.1821 k = 0.7962-0.1336 0.1698 ( 1746 PWs) bands (ev): -15.4351 -15.4351 -5.0628 -5.0628 -4.9147 -4.9147 -2.9131 -2.9131 -2.8113 -2.8113 -2.6624 -2.6624 1.9544 1.9544 2.1483 2.1483 2.5932 2.5932 4.2147 4.2147 10.0095 10.0095 11.0286 11.0286 11.7600 11.7600 16.3066 16.3066 k = 0.7949-0.1415 0.1798 ( 1746 PWs) bands (ev): -15.4352 -15.4352 -5.0627 -5.0627 -4.9146 -4.9146 -2.9111 -2.9111 -2.8149 -2.8149 -2.6607 -2.6607 1.9621 1.9621 2.1714 2.1714 2.5512 2.5512 4.2292 4.2292 10.0157 10.0157 11.0490 11.0490 11.6852 11.6852 16.4362 16.4362 k = 0.7936-0.1494 0.1898 ( 1748 PWs) bands (ev): -15.4352 -15.4352 -5.0626 -5.0626 -4.9146 -4.9146 -2.9092 -2.9092 -2.8185 -2.8185 -2.6592 -2.6592 1.9704 1.9704 2.1954 2.1954 2.5081 2.5081 4.2440 4.2440 10.0201 10.0201 11.0682 11.0682 11.6159 11.6159 16.5699 16.5699 k = 0.7923-0.1573 0.1998 ( 1746 PWs) bands (ev): -15.4353 -15.4353 -5.0625 -5.0625 -4.9146 -4.9146 -2.9072 -2.9072 -2.8221 -2.8221 -2.6581 -2.6581 1.9792 1.9792 2.2199 2.2199 2.4647 2.4647 4.2589 4.2589 10.0220 10.0220 11.0847 11.0847 11.5554 11.5554 16.7066 16.7066 k = 0.7910-0.1652 0.2099 ( 1744 PWs) bands (ev): -15.4354 -15.4354 -5.0625 -5.0625 -4.9148 -4.9148 -2.9051 -2.9051 -2.8257 -2.8257 -2.6572 -2.6572 1.9884 1.9884 2.2436 2.2436 2.4226 2.4226 4.2735 4.2735 10.0209 10.0209 11.0964 11.0964 11.5073 11.5073 16.8453 16.8453 k = 0.7897-0.1731 0.2199 ( 1744 PWs) bands (ev): -15.4354 -15.4354 -5.0624 -5.0624 -4.9151 -4.9151 -2.9031 -2.9031 -2.8292 -2.8292 -2.6566 -2.6566 1.9981 1.9981 2.2631 2.2631 2.3854 2.3854 4.2876 4.2876 10.0160 10.0160 11.1012 11.1012 11.4752 11.4752 16.9852 16.9852 k = 0.7884-0.1809 0.2299 ( 1744 PWs) bands (ev): -15.4356 -15.4356 -5.0624 -5.0624 -4.9155 -4.9155 -2.9011 -2.9011 -2.8327 -2.8327 -2.6562 -2.6562 2.0079 2.0079 2.2672 2.2672 2.3647 2.3647 4.3010 4.3010 10.0066 10.0066 11.0982 11.0982 11.4611 11.4611 17.1258 17.1258 k = 0.7884-0.1809 0.2299 ( 1744 PWs) bands (ev): -15.4356 -15.4356 -5.0624 -5.0624 -4.9155 -4.9155 -2.9011 -2.9011 -2.8327 -2.8327 -2.6562 -2.6562 2.0079 2.0079 2.2672 2.2672 2.3647 2.3647 4.3010 4.3010 10.0066 10.0066 11.0982 11.0982 11.4611 11.4611 17.1258 17.1258 k = 0.7812-0.1785 0.2401 ( 1744 PWs) bands (ev): -15.4357 -15.4357 -5.0624 -5.0624 -4.9161 -4.9161 -2.8991 -2.8991 -2.8363 -2.8363 -2.6562 -2.6562 2.0123 2.0123 2.2567 2.2567 2.3650 2.3650 4.3139 4.3139 9.9928 9.9928 11.0871 11.0871 11.4655 11.4655 17.2705 17.2705 k = 0.7740-0.1760 0.2504 ( 1747 PWs) bands (ev): -15.4358 -15.4358 -5.0624 -5.0624 -4.9168 -4.9168 -2.8970 -2.8970 -2.8399 -2.8399 -2.6565 -2.6565 2.0059 2.0059 2.2450 2.2450 2.3790 2.3790 4.3260 4.3260 9.9759 9.9759 11.0666 11.0666 11.4891 11.4891 17.4173 17.4173 k = 0.7668-0.1735 0.2606 ( 1750 PWs) bands (ev): -15.4359 -15.4359 -5.0624 -5.0624 -4.9176 -4.9176 -2.8950 -2.8950 -2.8436 -2.8436 -2.6571 -2.6571 1.9905 1.9905 2.2330 2.2330 2.4038 2.4038 4.3373 4.3373 9.9566 9.9566 11.0380 11.0380 11.5302 11.5302 17.5657 17.5657 k = 0.7596-0.1710 0.2709 ( 1754 PWs) bands (ev): -15.4360 -15.4360 -5.0625 -5.0625 -4.9187 -4.9187 -2.8930 -2.8930 -2.8472 -2.8472 -2.6581 -2.6581 1.9686 1.9686 2.2215 2.2215 2.4360 2.4360 4.3476 4.3476 9.9353 9.9353 11.0039 11.0039 11.5853 11.5853 17.7149 17.7149 k = 0.7524-0.1686 0.2811 ( 1755 PWs) bands (ev): -15.4360 -15.4360 -5.0625 -5.0625 -4.9198 -4.9198 -2.8911 -2.8911 -2.8506 -2.8506 -2.6595 -2.6595 1.9425 1.9425 2.2108 2.2108 2.4732 2.4732 4.3569 4.3569 9.9126 9.9126 10.9668 10.9668 11.6515 11.6515 17.8629 17.8629 k = 0.7451-0.1661 0.2913 ( 1757 PWs) bands (ev): -15.4361 -15.4361 -5.0626 -5.0626 -4.9211 -4.9211 -2.8894 -2.8894 -2.8539 -2.8539 -2.6611 -2.6611 1.9141 1.9141 2.2008 2.2008 2.5134 2.5134 4.3653 4.3653 9.8889 9.8889 10.9282 10.9282 11.7264 11.7264 18.0015 18.0015 k = 0.7379-0.1636 0.3016 ( 1761 PWs) bands (ev): -15.4362 -15.4362 -5.0626 -5.0626 -4.9225 -4.9225 -2.8881 -2.8881 -2.8567 -2.8567 -2.6631 -2.6631 1.8846 1.8846 2.1917 2.1917 2.5554 2.5554 4.3729 4.3729 9.8648 9.8648 10.8893 10.8893 11.8079 11.8079 18.0805 18.0805 k = 0.7307-0.1611 0.3118 ( 1759 PWs) bands (ev): -15.4362 -15.4362 -5.0627 -5.0627 -4.9240 -4.9240 -2.8872 -2.8872 -2.8589 -2.8589 -2.6654 -2.6654 1.8547 1.8547 2.1834 2.1834 2.5982 2.5982 4.3798 4.3798 9.8405 9.8405 10.8509 10.8509 11.8947 11.8947 18.0027 18.0027 k = 0.7235-0.1587 0.3221 ( 1757 PWs) bands (ev): -15.4362 -15.4362 -5.0628 -5.0628 -4.9256 -4.9256 -2.8871 -2.8871 -2.8604 -2.8604 -2.6680 -2.6680 1.8250 1.8250 2.1759 2.1759 2.6411 2.6411 4.3862 4.3862 9.8164 9.8164 10.8136 10.8136 11.9854 11.9854 17.8626 17.8626 k = 0.7163-0.1562 0.3323 ( 1759 PWs) bands (ev): -15.4362 -15.4362 -5.0629 -5.0629 -4.9273 -4.9273 -2.8878 -2.8878 -2.8609 -2.8609 -2.6710 -2.6710 1.7959 1.7959 2.1690 2.1690 2.6836 2.6836 4.3922 4.3922 9.7927 9.7927 10.7775 10.7775 12.0786 12.0786 17.7136 17.7136 k = 0.7091-0.1537 0.3425 ( 1763 PWs) bands (ev): -15.4362 -15.4362 -5.0629 -5.0629 -4.9291 -4.9291 -2.8894 -2.8894 -2.8605 -2.8605 -2.6743 -2.6743 1.7677 1.7677 2.1630 2.1630 2.7251 2.7251 4.3981 4.3981 9.7698 9.7698 10.7431 10.7431 12.1730 12.1730 17.5652 17.5652 k = 0.7019-0.1512 0.3528 ( 1765 PWs) bands (ev): -15.4362 -15.4362 -5.0630 -5.0630 -4.9310 -4.9310 -2.8915 -2.8915 -2.8594 -2.8594 -2.6778 -2.6778 1.7405 1.7405 2.1576 2.1576 2.7651 2.7651 4.4043 4.4043 9.7476 9.7476 10.7106 10.7106 12.2675 12.2675 17.4209 17.4209 k = 0.6947-0.1488 0.3630 ( 1763 PWs) bands (ev): -15.4361 -15.4361 -5.0631 -5.0631 -4.9330 -4.9330 -2.8941 -2.8941 -2.8577 -2.8577 -2.6817 -2.6817 1.7146 1.7146 2.1531 2.1531 2.8033 2.8033 4.4110 4.4110 9.7265 9.7265 10.6799 10.6799 12.3604 12.3604 17.2827 17.2827 k = 0.6875-0.1463 0.3733 ( 1767 PWs) bands (ev): -15.4360 -15.4360 -5.0632 -5.0632 -4.9351 -4.9351 -2.8970 -2.8970 -2.8558 -2.8558 -2.6859 -2.6859 1.6900 1.6900 2.1493 2.1493 2.8391 2.8391 4.4186 4.4186 9.7064 9.7064 10.6514 10.6514 12.4504 12.4504 17.1524 17.1524 k = 0.6803-0.1438 0.3835 ( 1769 PWs) bands (ev): -15.4360 -15.4360 -5.0632 -5.0632 -4.9372 -4.9372 -2.8999 -2.8999 -2.8536 -2.8536 -2.6903 -2.6903 1.6667 1.6667 2.1464 2.1464 2.8722 2.8722 4.4274 4.4274 9.6876 9.6876 10.6250 10.6250 12.5357 12.5357 17.0319 17.0319 k = 0.6730-0.1413 0.3938 ( 1767 PWs) bands (ev): -15.4358 -15.4358 -5.0633 -5.0633 -4.9393 -4.9393 -2.9029 -2.9029 -2.8512 -2.8512 -2.6950 -2.6950 1.6449 1.6449 2.1442 2.1442 2.9021 2.9021 4.4378 4.4378 9.6701 9.6701 10.6008 10.6008 12.6144 12.6144 16.9232 16.9232 k = 0.6658-0.1388 0.4040 ( 1769 PWs) bands (ev): -15.4357 -15.4357 -5.0633 -5.0633 -4.9415 -4.9415 -2.9059 -2.9059 -2.8488 -2.8488 -2.6999 -2.6999 1.6245 1.6245 2.1429 2.1429 2.9285 2.9285 4.4502 4.4502 9.6539 9.6539 10.5789 10.5789 12.6846 12.6846 16.8283 16.8283 k = 0.6586-0.1364 0.4142 ( 1769 PWs) bands (ev): -15.4356 -15.4356 -5.0633 -5.0633 -4.9438 -4.9438 -2.9087 -2.9087 -2.8464 -2.8464 -2.7051 -2.7051 1.6056 1.6056 2.1424 2.1424 2.9511 2.9511 4.4649 4.4649 9.6392 9.6392 10.5592 10.5592 12.7444 12.7444 16.7491 16.7491 k = 0.6514-0.1339 0.4245 ( 1763 PWs) bands (ev): -15.4354 -15.4354 -5.0633 -5.0633 -4.9461 -4.9461 -2.9115 -2.9115 -2.8439 -2.8439 -2.7104 -2.7104 1.5881 1.5881 2.1427 2.1427 2.9697 2.9697 4.4820 4.4820 9.6259 9.6259 10.5417 10.5417 12.7918 12.7918 16.6878 16.6878 k = 0.6442-0.1314 0.4347 ( 1762 PWs) bands (ev): -15.4352 -15.4352 -5.0632 -5.0632 -4.9484 -4.9484 -2.9141 -2.9141 -2.8414 -2.8414 -2.7160 -2.7160 1.5721 1.5721 2.1439 2.1439 2.9840 2.9840 4.5018 4.5018 9.6140 9.6140 10.5265 10.5265 12.8251 12.8251 16.6460 16.6460 k = 0.6370-0.1289 0.4450 ( 1764 PWs) bands (ev): -15.4350 -15.4350 -5.0631 -5.0631 -4.9508 -4.9508 -2.9166 -2.9166 -2.8390 -2.8390 -2.7218 -2.7218 1.5575 1.5575 2.1459 2.1459 2.9940 2.9940 4.5244 4.5244 9.6036 9.6036 10.5135 10.5135 12.8431 12.8431 16.6250 16.6250 k = 0.6298-0.1265 0.4552 ( 1762 PWs) bands (ev): -15.4348 -15.4348 -5.0630 -5.0630 -4.9532 -4.9532 -2.9189 -2.9189 -2.8366 -2.8366 -2.7277 -2.7277 1.5443 1.5443 2.1488 2.1488 2.9997 2.9997 4.5498 4.5498 9.5946 9.5946 10.5027 10.5027 12.8450 12.8450 16.6258 16.6258 k = 0.6226-0.1240 0.4654 ( 1760 PWs) bands (ev): -15.4346 -15.4346 -5.0629 -5.0629 -4.9555 -4.9555 -2.9210 -2.9210 -2.8344 -2.8344 -2.7338 -2.7338 1.5325 1.5325 2.1525 2.1525 3.0013 3.0013 4.5778 4.5778 9.5870 9.5870 10.4940 10.4940 12.8309 12.8309 16.6483 16.6483 k = 0.6154-0.1215 0.4757 ( 1760 PWs) bands (ev): -15.4343 -15.4343 -5.0627 -5.0627 -4.9579 -4.9579 -2.9230 -2.9230 -2.8322 -2.8322 -2.7399 -2.7399 1.5219 1.5219 2.1571 2.1571 2.9989 2.9989 4.6084 4.6084 9.5808 9.5808 10.4872 10.4872 12.8013 12.8013 16.6920 16.6920 k = 0.6082-0.1190 0.4859 ( 1760 PWs) bands (ev): -15.4341 -15.4341 -5.0626 -5.0626 -4.9603 -4.9603 -2.9248 -2.9248 -2.8300 -2.8300 -2.7462 -2.7462 1.5124 1.5124 2.1625 2.1625 2.9929 2.9929 4.6413 4.6413 9.5759 9.5759 10.4824 10.4824 12.7575 12.7575 16.7557 16.7557 k = 0.6009-0.1166 0.4962 ( 1762 PWs) bands (ev): -15.4339 -15.4339 -5.0624 -5.0624 -4.9628 -4.9628 -2.9264 -2.9264 -2.8280 -2.8280 -2.7526 -2.7526 1.5041 1.5041 2.1688 2.1688 2.9835 2.9835 4.6762 4.6762 9.5721 9.5721 10.4793 10.4793 12.7014 12.7014 16.8378 16.8378 k = 0.5937-0.1141 0.5064 ( 1762 PWs) bands (ev): -15.4336 -15.4336 -5.0621 -5.0621 -4.9652 -4.9652 -2.9278 -2.9278 -2.8261 -2.8261 -2.7590 -2.7590 1.4969 1.4969 2.1758 2.1758 2.9712 2.9712 4.7128 4.7128 9.5695 9.5695 10.4778 10.4778 12.6350 12.6350 16.9363 16.9363 k = 0.5865-0.1116 0.5167 ( 1762 PWs) bands (ev): -15.4334 -15.4334 -5.0619 -5.0619 -4.9676 -4.9676 -2.9290 -2.9290 -2.8244 -2.8244 -2.7654 -2.7654 1.4905 1.4905 2.1837 2.1837 2.9564 2.9564 4.7507 4.7507 9.5678 9.5678 10.4778 10.4778 12.5604 12.5604 17.0493 17.0493 k = 0.5793-0.1091 0.5269 ( 1761 PWs) bands (ev): -15.4331 -15.4331 -5.0616 -5.0616 -4.9700 -4.9700 -2.9300 -2.9300 -2.8227 -2.8227 -2.7718 -2.7718 1.4849 1.4849 2.1923 2.1923 2.9394 2.9394 4.7895 4.7895 9.5669 9.5669 10.4790 10.4790 12.4800 12.4800 17.1745 17.1745 k = 0.5721-0.1067 0.5371 ( 1761 PWs) bands (ev): -15.4329 -15.4329 -5.0612 -5.0612 -4.9723 -4.9723 -2.9308 -2.9308 -2.8212 -2.8212 -2.7782 -2.7782 1.4800 1.4800 2.2017 2.2017 2.9208 2.9208 4.8290 4.8290 9.5665 9.5665 10.4811 10.4811 12.3959 12.3959 17.3102 17.3102 k = 0.5649-0.1042 0.5474 ( 1760 PWs) bands (ev): -15.4327 -15.4327 -5.0609 -5.0609 -4.9747 -4.9747 -2.9315 -2.9315 -2.8198 -2.8198 -2.7846 -2.7846 1.4757 1.4757 2.2118 2.2118 2.9009 2.9009 4.8687 4.8687 9.5665 9.5665 10.4838 10.4838 12.3103 12.3103 17.4543 17.4543 k = 0.5577-0.1017 0.5576 ( 1760 PWs) bands (ev): -15.4324 -15.4324 -5.0605 -5.0605 -4.9770 -4.9770 -2.9319 -2.9319 -2.8186 -2.8186 -2.7909 -2.7909 1.4716 1.4716 2.2227 2.2227 2.8802 2.8802 4.9082 4.9082 9.5665 9.5665 10.4869 10.4869 12.2252 12.2252 17.6051 17.6051 k = 0.5505-0.0992 0.5679 ( 1759 PWs) bands (ev): -15.4322 -15.4322 -5.0602 -5.0602 -4.9793 -4.9793 -2.9322 -2.9322 -2.8175 -2.8175 -2.7970 -2.7970 1.4678 1.4678 2.2342 2.2342 2.8590 2.8590 4.9472 4.9472 9.5661 9.5661 10.4900 10.4900 12.1426 12.1426 17.7610 17.7610 k = 0.5433-0.0968 0.5781 ( 1761 PWs) bands (ev): -15.4321 -15.4321 -5.0598 -5.0598 -4.9816 -4.9816 -2.9323 -2.9323 -2.8169 -2.8169 -2.8028 -2.8028 1.4640 1.4640 2.2464 2.2464 2.8379 2.8379 4.9854 4.9854 9.5649 9.5649 10.4929 10.4929 12.0644 12.0644 17.9202 17.9202 k = 0.5361-0.0943 0.5883 ( 1761 PWs) bands (ev): -15.4319 -15.4319 -5.0594 -5.0594 -4.9839 -4.9839 -2.9323 -2.9323 -2.8169 -2.8169 -2.8079 -2.8079 1.4601 1.4601 2.2592 2.2592 2.8171 2.8171 5.0225 5.0225 9.5624 9.5624 10.4951 10.4951 11.9924 11.9924 18.0813 18.0813 k = 0.5288-0.0918 0.5986 ( 1762 PWs) bands (ev): -15.4318 -15.4318 -5.0590 -5.0590 -4.9861 -4.9861 -2.9321 -2.9321 -2.8190 -2.8190 -2.8109 -2.8109 1.4558 1.4558 2.2726 2.2726 2.7971 2.7971 5.0580 5.0580 9.5580 9.5580 10.4967 10.4967 11.9280 11.9280 18.2427 18.2427 k = 0.5216-0.0893 0.6088 ( 1760 PWs) bands (ev): -15.4317 -15.4317 -5.0586 -5.0586 -4.9882 -4.9882 -2.9318 -2.9318 -2.8233 -2.8233 -2.8117 -2.8117 1.4510 1.4510 2.2865 2.2865 2.7782 2.7782 5.0919 5.0919 9.5510 9.5510 10.4977 10.4977 11.8727 11.8727 18.4030 18.4030 k = 0.5144-0.0869 0.6191 ( 1760 PWs) bands (ev): -15.4316 -15.4316 -5.0582 -5.0582 -4.9904 -4.9904 -2.9314 -2.9314 -2.8284 -2.8284 -2.8115 -2.8115 1.4455 1.4455 2.3010 2.3010 2.7608 2.7608 5.1236 5.1236 9.5408 9.5408 10.4982 10.4982 11.8277 11.8277 18.5606 18.5606 k = 0.5072-0.0844 0.6293 ( 1764 PWs) bands (ev): -15.4316 -15.4316 -5.0578 -5.0578 -4.9925 -4.9925 -2.9309 -2.9309 -2.8336 -2.8336 -2.8113 -2.8113 1.4391 1.4391 2.3159 2.3159 2.7450 2.7450 5.1531 5.1531 9.5267 9.5267 10.4989 10.4989 11.7935 11.7935 18.7142 18.7142 k = 0.5000-0.0819 0.6395 ( 1766 PWs) bands (ev): -15.4317 -15.4317 -5.0574 -5.0574 -4.9945 -4.9945 -2.9304 -2.9304 -2.8387 -2.8387 -2.8110 -2.8110 1.4316 1.4316 2.3313 2.3313 2.7312 2.7312 5.1799 5.1799 9.5083 9.5083 10.5006 10.5006 11.7706 11.7706 18.8623 18.8623 k = 0.5000 0.6409-0.0707 ( 1766 PWs) bands (ev): -15.4317 -15.4317 -5.0574 -5.0574 -4.9945 -4.9945 -2.9304 -2.9304 -2.8387 -2.8387 -2.8110 -2.8110 1.4316 1.4316 2.3313 2.3313 2.7312 2.7312 5.1799 5.1799 9.5083 9.5083 10.5006 10.5006 11.7706 11.7706 18.8623 18.8623 k = 0.5000 0.6308-0.0786 ( 1758 PWs) bands (ev): -15.4318 -15.4318 -5.0566 -5.0566 -4.9975 -4.9975 -2.9292 -2.9292 -2.8462 -2.8462 -2.8104 -2.8104 1.4204 1.4204 2.3553 2.3553 2.7111 2.7111 5.2148 5.2148 9.4750 9.4750 10.5082 10.5082 11.7484 11.7484 19.0869 19.0869 k = 0.5000 0.6208-0.0865 ( 1754 PWs) bands (ev): -15.4320 -15.4320 -5.0558 -5.0558 -5.0004 -5.0004 -2.9277 -2.9277 -2.8532 -2.8532 -2.8099 -2.8099 1.4117 1.4117 2.3790 2.3790 2.6905 2.6905 5.2408 5.2408 9.4394 9.4394 10.5234 10.5234 11.7355 11.7355 19.3131 19.3131 k = 0.5000 0.6108-0.0944 ( 1746 PWs) bands (ev): -15.4323 -15.4323 -5.0548 -5.0548 -5.0030 -5.0030 -2.9257 -2.9257 -2.8597 -2.8597 -2.8093 -2.8093 1.4054 1.4054 2.4025 2.4025 2.6692 2.6692 5.2574 5.2574 9.4024 9.4024 10.5455 10.5455 11.7322 11.7322 19.5403 19.5403 k = 0.5000 0.6007-0.1023 ( 1746 PWs) bands (ev): -15.4327 -15.4327 -5.0538 -5.0538 -5.0055 -5.0055 -2.9234 -2.9234 -2.8657 -2.8657 -2.8087 -2.8087 1.4015 1.4015 2.4255 2.4255 2.6474 2.6474 5.2645 5.2645 9.3648 9.3648 10.5740 10.5740 11.7386 11.7386 19.7672 19.7672 k = 0.5000 0.5907-0.1102 ( 1746 PWs) bands (ev): -15.4332 -15.4332 -5.0526 -5.0526 -5.0079 -5.0079 -2.9207 -2.9207 -2.8711 -2.8711 -2.8081 -2.8081 1.4001 1.4001 2.4478 2.4478 2.6253 2.6253 5.2619 5.2619 9.3269 9.3269 10.6083 10.6083 11.7548 11.7548 19.9902 19.9902 k = 0.5000 0.5807-0.1181 ( 1754 PWs) bands (ev): -15.4338 -15.4338 -5.0513 -5.0513 -5.0101 -5.0101 -2.9177 -2.9177 -2.8760 -2.8760 -2.8074 -2.8074 1.4010 1.4010 2.4693 2.4693 2.6031 2.6031 5.2497 5.2497 9.2893 9.2893 10.6483 10.6483 11.7807 11.7807 20.1921 20.1921 k = 0.5000 0.5706-0.1260 ( 1750 PWs) bands (ev): -15.4346 -15.4346 -5.0498 -5.0498 -5.0121 -5.0121 -2.9145 -2.9145 -2.8800 -2.8800 -2.8067 -2.8067 1.4045 1.4045 2.4893 2.4893 2.5815 2.5815 5.2279 5.2279 9.2523 9.2523 10.6937 10.6937 11.8158 11.8158 20.2569 20.2569 k = 0.5000 0.5606-0.1339 ( 1750 PWs) bands (ev): -15.4354 -15.4354 -5.0481 -5.0481 -5.0139 -5.0139 -2.9113 -2.9113 -2.8832 -2.8832 -2.8059 -2.8059 1.4104 1.4104 2.5052 2.5052 2.5630 2.5630 5.1970 5.1970 9.2161 9.2161 10.7443 10.7443 11.8599 11.8599 20.1008 20.1008 k = 0.5000 0.5505-0.1418 ( 1754 PWs) bands (ev): -15.4363 -15.4363 -5.0464 -5.0464 -5.0155 -5.0155 -2.9086 -2.9086 -2.8850 -2.8850 -2.8051 -2.8051 1.4188 1.4188 2.5082 2.5082 2.5565 2.5565 5.1573 5.1573 9.1810 9.1810 10.7999 10.7999 11.9124 11.9124 19.8943 19.8943 k = 0.5000 0.5405-0.1497 ( 1746 PWs) bands (ev): -15.4372 -15.4372 -5.0445 -5.0445 -5.0169 -5.0169 -2.9068 -2.9068 -2.8850 -2.8850 -2.8041 -2.8041 1.4297 1.4297 2.4936 2.4936 2.5668 2.5668 5.1092 5.1092 9.1469 9.1469 10.8604 10.8604 11.9729 11.9729 19.6796 19.6796 k = 0.5000 0.5305-0.1576 ( 1746 PWs) bands (ev): -15.4383 -15.4383 -5.0426 -5.0426 -5.0181 -5.0181 -2.9064 -2.9064 -2.8829 -2.8829 -2.8030 -2.8030 1.4432 1.4432 2.4721 2.4721 2.5831 2.5831 5.0533 5.0533 9.1141 9.1141 10.9256 10.9256 12.0406 12.0406 19.4634 19.4634 k = 0.5000 0.5204-0.1655 ( 1746 PWs) bands (ev): -15.4394 -15.4394 -5.0407 -5.0407 -5.0190 -5.0190 -2.9069 -2.9069 -2.8791 -2.8791 -2.8018 -2.8018 1.4591 1.4591 2.4488 2.4488 2.6005 2.6005 4.9902 4.9902 9.0826 9.0826 10.9953 10.9953 12.1151 12.1151 19.2478 19.2478 k = 0.5000 0.5104-0.1734 ( 1754 PWs) bands (ev): -15.4406 -15.4406 -5.0389 -5.0389 -5.0196 -5.0196 -2.9080 -2.9080 -2.8743 -2.8743 -2.8004 -2.8004 1.4777 1.4777 2.4248 2.4248 2.6178 2.6178 4.9206 4.9206 9.0525 9.0525 11.0694 11.0694 12.1955 12.1955 19.0335 19.0335 k = 0.5000 0.5003-0.1813 ( 1750 PWs) bands (ev): -15.4419 -15.4419 -5.0372 -5.0372 -5.0197 -5.0197 -2.9091 -2.9091 -2.8688 -2.8688 -2.7987 -2.7987 1.4989 1.4989 2.4008 2.4008 2.6347 2.6347 4.8450 4.8450 9.0237 9.0237 11.1474 11.1474 12.2813 12.2813 18.8211 18.8211 k = 0.5000 0.4903-0.1892 ( 1750 PWs) bands (ev): -15.4432 -15.4432 -5.0359 -5.0359 -5.0193 -5.0193 -2.9102 -2.9102 -2.8631 -2.8631 -2.7967 -2.7967 1.5227 1.5227 2.3767 2.3767 2.6509 2.6509 4.7642 4.7642 8.9963 8.9963 11.2293 11.2293 12.3718 12.3718 18.6109 18.6109 k = 0.5000 0.4803-0.1971 ( 1752 PWs) bands (ev): -15.4445 -15.4445 -5.0351 -5.0351 -5.0183 -5.0183 -2.9111 -2.9111 -2.8573 -2.8573 -2.7943 -2.7943 1.5492 1.5492 2.3529 2.3529 2.6664 2.6664 4.6788 4.6788 8.9703 8.9703 11.3147 11.3147 12.4664 12.4664 18.4030 18.4030 k = 0.5000 0.4702-0.2050 ( 1744 PWs) bands (ev): -15.4459 -15.4459 -5.0346 -5.0346 -5.0167 -5.0167 -2.9118 -2.9118 -2.8516 -2.8516 -2.7915 -2.7915 1.5784 1.5784 2.3295 2.3295 2.6811 2.6811 4.5894 4.5894 8.9457 8.9457 11.4033 11.4033 12.5643 12.5643 18.1978 18.1978 k = 0.5000 0.4602-0.2129 ( 1748 PWs) bands (ev): -15.4472 -15.4472 -5.0345 -5.0345 -5.0146 -5.0146 -2.9124 -2.9124 -2.8463 -2.8463 -2.7881 -2.7881 1.6103 1.6103 2.3066 2.3066 2.6951 2.6951 4.4966 4.4966 8.9226 8.9226 11.4947 11.4947 12.6650 12.6650 17.9953 17.9953 k = 0.5000 0.4501-0.2208 ( 1744 PWs) bands (ev): -15.4486 -15.4486 -5.0347 -5.0347 -5.0122 -5.0122 -2.9128 -2.9128 -2.8415 -2.8415 -2.7840 -2.7840 1.6451 1.6451 2.2842 2.2842 2.7083 2.7083 4.4010 4.4010 8.9009 8.9009 11.5887 11.5887 12.7678 12.7678 17.7959 17.7959 k = 0.5000 0.4401-0.2287 ( 1744 PWs) bands (ev): -15.4500 -15.4500 -5.0350 -5.0350 -5.0096 -5.0096 -2.9130 -2.9130 -2.8373 -2.8373 -2.7793 -2.7793 1.6825 1.6825 2.2626 2.2626 2.7207 2.7207 4.3030 4.3030 8.8805 8.8805 11.6848 11.6848 12.8720 12.8720 17.5996 17.5996 k = 0.5000 0.4301-0.2366 ( 1744 PWs) bands (ev): -15.4514 -15.4514 -5.0354 -5.0354 -5.0069 -5.0069 -2.9130 -2.9130 -2.8337 -2.8337 -2.7739 -2.7739 1.7228 1.7228 2.2418 2.2418 2.7323 2.7323 4.2033 4.2033 8.8616 8.8616 11.7827 11.7827 12.9770 12.9770 17.4068 17.4068 k = 0.5000 0.4200-0.2445 ( 1744 PWs) bands (ev): -15.4527 -15.4527 -5.0358 -5.0358 -5.0041 -5.0041 -2.9129 -2.9129 -2.8306 -2.8306 -2.7681 -2.7681 1.7658 1.7658 2.2219 2.2219 2.7431 2.7431 4.1023 4.1023 8.8440 8.8440 11.8818 11.8818 13.0822 13.0822 17.2177 17.2177 k = 0.5000 0.4100-0.2524 ( 1748 PWs) bands (ev): -15.4540 -15.4540 -5.0363 -5.0363 -5.0013 -5.0013 -2.9127 -2.9127 -2.8282 -2.8282 -2.7619 -2.7619 1.8116 1.8116 2.2031 2.2031 2.7531 2.7531 4.0005 4.0005 8.8278 8.8278 11.9816 11.9816 13.1870 13.1870 17.0326 17.0326 k = 0.5000 0.4000-0.2603 ( 1752 PWs) bands (ev): -15.4553 -15.4553 -5.0367 -5.0367 -4.9986 -4.9986 -2.9125 -2.9125 -2.8262 -2.8262 -2.7556 -2.7556 1.8601 1.8601 2.1854 2.1854 2.7623 2.7623 3.8982 3.8982 8.8129 8.8129 12.0816 12.0816 13.2908 13.2908 16.8519 16.8519 k = 0.5000 0.3899-0.2682 ( 1754 PWs) bands (ev): -15.4565 -15.4565 -5.0372 -5.0372 -4.9960 -4.9960 -2.9121 -2.9121 -2.8245 -2.8245 -2.7491 -2.7491 1.9111 1.9111 2.1692 2.1692 2.7707 2.7707 3.7960 3.7960 8.7994 8.7994 12.1810 12.1810 13.3930 13.3930 16.6761 16.6761 k = 0.5000 0.3799-0.2761 ( 1752 PWs) bands (ev): -15.4576 -15.4576 -5.0376 -5.0376 -4.9935 -4.9935 -2.9117 -2.9117 -2.8232 -2.8232 -2.7428 -2.7428 1.9642 1.9642 2.1548 2.1548 2.7784 2.7784 3.6942 3.6942 8.7871 8.7871 12.2789 12.2789 13.4930 13.4930 16.5057 16.5057 k = 0.5000 0.3698-0.2840 ( 1742 PWs) bands (ev): -15.4587 -15.4587 -5.0379 -5.0379 -4.9911 -4.9911 -2.9112 -2.9112 -2.8221 -2.8221 -2.7367 -2.7367 2.0185 2.0185 2.1434 2.1434 2.7853 2.7853 3.5932 3.5932 8.7760 8.7760 12.3744 12.3744 13.5903 13.5903 16.3414 16.3414 k = 0.5000 0.3598-0.2919 ( 1738 PWs) bands (ev): -15.4596 -15.4596 -5.0382 -5.0382 -4.9889 -4.9889 -2.9107 -2.9107 -2.8212 -2.8212 -2.7309 -2.7309 2.0685 2.0685 2.1400 2.1400 2.7915 2.7915 3.4935 3.4935 8.7662 8.7662 12.4664 12.4664 13.6842 13.6842 16.1840 16.1840 k = 0.5000 0.3498-0.2998 ( 1734 PWs) bands (ev): -15.4605 -15.4605 -5.0385 -5.0385 -4.9869 -4.9869 -2.9103 -2.9103 -2.8204 -2.8204 -2.7256 -2.7256 2.0928 2.0928 2.1662 2.1662 2.7970 2.7970 3.3953 3.3953 8.7577 8.7577 12.5535 12.5535 13.7742 13.7742 16.0349 16.0349 k = 0.5000 0.3397-0.3077 ( 1734 PWs) bands (ev): -15.4613 -15.4613 -5.0388 -5.0388 -4.9851 -4.9851 -2.9099 -2.9099 -2.8199 -2.8199 -2.7208 -2.7208 2.0917 2.0917 2.2212 2.2212 2.8018 2.8018 3.2994 3.2994 8.7503 8.7503 12.6342 12.6342 13.8592 13.8592 15.8953 15.8953 k = 0.5000 0.3297-0.3156 ( 1734 PWs) bands (ev): -15.4619 -15.4619 -5.0390 -5.0390 -4.9836 -4.9836 -2.9095 -2.9095 -2.8194 -2.8194 -2.7166 -2.7166 2.0858 2.0858 2.2842 2.2842 2.8059 2.8059 3.2064 3.2064 8.7440 8.7440 12.7067 12.7067 13.9383 13.9383 15.7673 15.7673 k = 0.5000 0.3196-0.3235 ( 1734 PWs) bands (ev): -15.4625 -15.4625 -5.0392 -5.0392 -4.9824 -4.9824 -2.9092 -2.9092 -2.8190 -2.8190 -2.7131 -2.7131 2.0799 2.0799 2.3493 2.3493 2.8095 2.8095 3.1173 3.1173 8.7390 8.7390 12.7695 12.7695 14.0097 14.0097 15.6537 15.6537 k = 0.5000 0.3096-0.3314 ( 1742 PWs) bands (ev): -15.4629 -15.4629 -5.0394 -5.0394 -4.9814 -4.9814 -2.9090 -2.9090 -2.8188 -2.8188 -2.7104 -2.7104 2.0749 2.0749 2.4138 2.4138 2.8127 2.8127 3.0338 3.0338 8.7350 8.7350 12.8206 12.8206 14.0711 14.0711 15.5579 15.5579 k = 0.5000 0.2996-0.3393 ( 1738 PWs) bands (ev): -15.4632 -15.4632 -5.0395 -5.0395 -4.9807 -4.9807 -2.9087 -2.9087 -2.8186 -2.8186 -2.7084 -2.7084 2.0712 2.0712 2.4735 2.4735 2.8161 2.8161 2.9595 2.9595 8.7322 8.7322 12.8584 12.8584 14.1192 14.1192 15.4843 15.4843 k = 0.5000 0.2895-0.3472 ( 1738 PWs) bands (ev): -15.4634 -15.4634 -5.0396 -5.0396 -4.9803 -4.9803 -2.9086 -2.9086 -2.8185 -2.8185 -2.7071 -2.7071 2.0689 2.0689 2.5201 2.5201 2.8206 2.8206 2.9018 2.9018 8.7306 8.7306 12.8818 12.8818 14.1503 14.1503 15.4375 15.4375 k = 0.5000 0.2795-0.3551 ( 1744 PWs) bands (ev): -15.4635 -15.4635 -5.0396 -5.0396 -4.9801 -4.9801 -2.9086 -2.9086 -2.8185 -2.8185 -2.7068 -2.7068 2.0682 2.0682 2.5388 2.5388 2.8244 2.8244 2.8770 2.8770 8.7300 8.7300 12.8896 12.8896 14.1611 14.1611 15.4213 15.4213 k = 0.0000 0.6216 0.4893 ( 1740 PWs) bands (ev): -15.4346 -15.4346 -5.0624 -5.0624 -4.9042 -4.9042 -2.9261 -2.9261 -2.7606 -2.7606 -2.6577 -2.6577 1.8130 1.8130 2.4420 2.4420 2.8591 2.8591 3.4758 3.4758 10.0353 10.0353 11.6431 11.6431 12.6728 12.6728 14.1208 14.1208 k = 0.0096 0.6270 0.4824 ( 1734 PWs) bands (ev): -15.4345 -15.4345 -5.0623 -5.0623 -4.9042 -4.9042 -2.9260 -2.9260 -2.7608 -2.7608 -2.6576 -2.6576 1.8135 1.8135 2.4416 2.4416 2.8549 2.8549 3.4813 3.4813 10.0357 10.0357 11.6399 11.6399 12.6632 12.6632 14.1342 14.1342 k = 0.0192 0.6324 0.4756 ( 1734 PWs) bands (ev): -15.4345 -15.4345 -5.0623 -5.0623 -4.9043 -4.9043 -2.9259 -2.9259 -2.7614 -2.7614 -2.6577 -2.6577 1.8150 1.8150 2.4403 2.4403 2.8426 2.8426 3.4973 3.4973 10.0369 10.0369 11.6305 11.6305 12.6353 12.6353 14.1730 14.1730 k = 0.0289 0.6378 0.4688 ( 1730 PWs) bands (ev): -15.4345 -15.4345 -5.0623 -5.0623 -4.9045 -4.9045 -2.9257 -2.9257 -2.7623 -2.7623 -2.6577 -2.6577 1.8175 1.8175 2.4382 2.4382 2.8235 2.8235 3.5225 3.5225 10.0389 10.0389 11.6150 11.6150 12.5920 12.5920 14.2347 14.2347 k = 0.0385 0.6431 0.4619 ( 1730 PWs) bands (ev): -15.4345 -15.4345 -5.0623 -5.0623 -4.9047 -4.9047 -2.9254 -2.9254 -2.7637 -2.7637 -2.6577 -2.6577 1.8210 1.8210 2.4353 2.4353 2.7993 2.7993 3.5553 3.5553 10.0416 10.0416 11.5940 11.5940 12.5364 12.5364 14.3158 14.3158 k = 0.0481 0.6485 0.4551 ( 1732 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9050 -4.9050 -2.9251 -2.9251 -2.7654 -2.7654 -2.6577 -2.6577 1.8254 1.8254 2.4315 2.4315 2.7714 2.7714 3.5939 3.5939 10.0448 10.0448 11.5679 11.5679 12.4721 12.4721 14.4129 14.4129 k = 0.0577 0.6539 0.4483 ( 1732 PWs) bands (ev): -15.4345 -15.4345 -5.0624 -5.0624 -4.9054 -4.9054 -2.9247 -2.9247 -2.7675 -2.7675 -2.6577 -2.6577 1.8308 1.8308 2.4269 2.4269 2.7412 2.7412 3.6370 3.6370 10.0487 10.0487 11.5375 11.5375 12.4016 12.4016 14.5231 14.5231 k = 0.0673 0.6593 0.4415 ( 1728 PWs) bands (ev): -15.4346 -15.4346 -5.0623 -5.0623 -4.9058 -4.9058 -2.9241 -2.9241 -2.7699 -2.7699 -2.6578 -2.6578 1.8371 1.8371 2.4216 2.4216 2.7098 2.7098 3.6833 3.6833 10.0528 10.0528 11.5035 11.5035 12.3273 12.3273 14.6441 14.6441 k = 0.0769 0.6647 0.4346 ( 1732 PWs) bands (ev): -15.4346 -15.4346 -5.0623 -5.0623 -4.9063 -4.9063 -2.9235 -2.9235 -2.7727 -2.7727 -2.6578 -2.6578 1.8442 1.8442 2.4154 2.4154 2.6780 2.6780 3.7317 3.7317 10.0572 10.0572 11.4668 11.4668 12.2510 12.2510 14.7741 14.7741 k = 0.0866 0.6700 0.4278 ( 1736 PWs) bands (ev): -15.4346 -15.4346 -5.0624 -5.0624 -4.9069 -4.9069 -2.9228 -2.9228 -2.7758 -2.7758 -2.6578 -2.6578 1.8522 1.8522 2.4085 2.4085 2.6463 2.6463 3.7815 3.7815 10.0616 10.0616 11.4283 11.4283 12.1737 12.1737 14.9116 14.9116 k = 0.0962 0.6754 0.4210 ( 1740 PWs) bands (ev): -15.4346 -15.4346 -5.0624 -5.0624 -4.9075 -4.9075 -2.9220 -2.9220 -2.7792 -2.7792 -2.6578 -2.6578 1.8610 1.8610 2.4008 2.4008 2.6152 2.6152 3.8320 3.8320 10.0657 10.0657 11.3890 11.3890 12.0967 12.0967 15.0558 15.0558 k = 0.1058 0.6808 0.4141 ( 1740 PWs) bands (ev): -15.4346 -15.4346 -5.0624 -5.0624 -4.9081 -4.9081 -2.9211 -2.9211 -2.7829 -2.7829 -2.6578 -2.6578 1.8705 1.8705 2.3924 2.3924 2.5852 2.5852 3.8825 3.8825 10.0694 10.0694 11.3498 11.3498 12.0206 12.0206 15.2058 15.2058 k = 0.1154 0.6862 0.4073 ( 1744 PWs) bands (ev): -15.4347 -15.4347 -5.0624 -5.0624 -4.9088 -4.9088 -2.9200 -2.9200 -2.7868 -2.7868 -2.6578 -2.6578 1.8808 1.8808 2.3833 2.3833 2.5564 2.5564 3.9325 3.9325 10.0723 10.0723 11.3117 11.3117 11.9462 11.9462 15.3610 15.3610 k = 0.1250 0.6915 0.4005 ( 1744 PWs) bands (ev): -15.4347 -15.4347 -5.0624 -5.0624 -4.9094 -4.9094 -2.9188 -2.9188 -2.7909 -2.7909 -2.6577 -2.6577 1.8917 1.8917 2.3736 2.3736 2.5291 2.5291 3.9814 3.9814 10.0740 10.0740 11.2756 11.2756 11.8741 11.8741 15.5210 15.5210 k = 0.1347 0.6969 0.3936 ( 1748 PWs) bands (ev): -15.4348 -15.4348 -5.0625 -5.0625 -4.9101 -4.9101 -2.9175 -2.9175 -2.7952 -2.7952 -2.6577 -2.6577 1.9031 1.9031 2.3634 2.3634 2.5033 2.5033 4.0288 4.0288 10.0744 10.0744 11.2422 11.2422 11.8050 11.8050 15.6853 15.6853 k = 0.1443 0.7023 0.3868 ( 1744 PWs) bands (ev): -15.4348 -15.4348 -5.0624 -5.0624 -4.9108 -4.9108 -2.9160 -2.9160 -2.7996 -2.7996 -2.6576 -2.6576 1.9152 1.9152 2.3526 2.3526 2.4793 2.4793 4.0742 4.0742 10.0731 10.0731 11.2121 11.2121 11.7395 11.7395 15.8536 15.8536 k = 0.1539 0.7077 0.3800 ( 1748 PWs) bands (ev): -15.4349 -15.4349 -5.0625 -5.0625 -4.9115 -4.9115 -2.9144 -2.9144 -2.8042 -2.8042 -2.6575 -2.6575 1.9277 1.9277 2.3413 2.3413 2.4570 2.4570 4.1172 4.1172 10.0699 10.0699 11.1859 11.1859 11.6784 11.6784 16.0256 16.0256 k = 0.1635 0.7130 0.3731 ( 1748 PWs) bands (ev): -15.4350 -15.4350 -5.0625 -5.0625 -4.9122 -4.9122 -2.9126 -2.9126 -2.8089 -2.8089 -2.6573 -2.6573 1.9405 1.9405 2.3296 2.3296 2.4366 2.4366 4.1573 4.1573 10.0645 10.0645 11.1636 11.1636 11.6226 11.6226 16.2012 16.2012 k = 0.1731 0.7184 0.3663 ( 1752 PWs) bands (ev): -15.4351 -15.4351 -5.0625 -5.0625 -4.9129 -4.9129 -2.9106 -2.9106 -2.8136 -2.8136 -2.6572 -2.6572 1.9537 1.9537 2.3176 2.3176 2.4181 2.4181 4.1940 4.1940 10.0570 10.0570 11.1452 11.1452 11.5730 11.5730 16.3801 16.3801 k = 0.1827 0.7238 0.3595 ( 1748 PWs) bands (ev): -15.4352 -15.4352 -5.0625 -5.0625 -4.9136 -4.9136 -2.9085 -2.9085 -2.8184 -2.8184 -2.6570 -2.6570 1.9672 1.9672 2.3053 2.3053 2.4016 2.4016 4.2271 4.2271 10.0473 10.0473 11.1302 11.1302 11.5308 11.5308 16.5623 16.5623 k = 0.1924 0.7292 0.3526 ( 1744 PWs) bands (ev): -15.4353 -15.4353 -5.0624 -5.0624 -4.9142 -4.9142 -2.9062 -2.9062 -2.8232 -2.8232 -2.6567 -2.6567 1.9808 1.9808 2.2928 2.2928 2.3872 2.3872 4.2562 4.2562 10.0356 10.0356 11.1179 11.1179 11.4973 11.4973 16.7474 16.7474 k = 0.2020 0.7345 0.3458 ( 1744 PWs) bands (ev): -15.4354 -15.4354 -5.0624 -5.0624 -4.9149 -4.9149 -2.9037 -2.9037 -2.8280 -2.8280 -2.6565 -2.6565 1.9944 1.9944 2.2800 2.2800 2.3748 2.3748 4.2809 4.2809 10.0219 10.0219 11.1075 11.1075 11.4738 11.4738 16.9353 16.9353 k = 0.2116 0.7399 0.3390 ( 1744 PWs) bands (ev): -15.4356 -15.4356 -5.0624 -5.0624 -4.9155 -4.9155 -2.9011 -2.9011 -2.8327 -2.8327 -2.6562 -2.6562 2.0079 2.0079 2.2672 2.2672 2.3647 2.3647 4.3010 4.3010 10.0066 10.0066 11.0982 11.0982 11.4611 11.4611 17.1258 17.1258 k = 0.7884-0.1809 0.2299 ( 1744 PWs) bands (ev): -15.4356 -15.4356 -5.0624 -5.0624 -4.9155 -4.9155 -2.9011 -2.9011 -2.8327 -2.8327 -2.6562 -2.6562 2.0079 2.0079 2.2672 2.2672 2.3647 2.3647 4.3010 4.3010 10.0066 10.0066 11.0982 11.0982 11.4611 11.4611 17.1258 17.1258 k = 0.7788-0.1863 0.2367 ( 1744 PWs) bands (ev): -15.4357 -15.4357 -5.0624 -5.0624 -4.9161 -4.9161 -2.8983 -2.8983 -2.8374 -2.8374 -2.6560 -2.6560 2.0211 2.0211 2.2543 2.2543 2.3569 2.3569 4.3162 4.3162 9.9898 9.9898 11.0898 11.0898 11.4598 11.4598 17.3185 17.3185 k = 0.7692-0.1917 0.2435 ( 1746 PWs) bands (ev): -15.4359 -15.4359 -5.0623 -5.0623 -4.9167 -4.9167 -2.8954 -2.8954 -2.8420 -2.8420 -2.6557 -2.6557 2.0339 2.0339 2.2415 2.2415 2.3513 2.3513 4.3264 4.3264 9.9717 9.9717 11.0827 11.0827 11.4696 11.4696 17.5129 17.5129 k = 0.7596-0.1971 0.2504 ( 1742 PWs) bands (ev): -15.4361 -15.4361 -5.0623 -5.0623 -4.9172 -4.9172 -2.8923 -2.8923 -2.8465 -2.8465 -2.6553 -2.6553 2.0460 2.0460 2.2292 2.2292 2.3482 2.3482 4.3313 4.3313 9.9526 9.9526 11.0777 11.0777 11.4896 11.4896 17.7079 17.7079 k = 0.7499-0.2024 0.2572 ( 1748 PWs) bands (ev): -15.4363 -15.4363 -5.0622 -5.0622 -4.9177 -4.9177 -2.8892 -2.8892 -2.8510 -2.8510 -2.6550 -2.6550 2.0569 2.0569 2.2176 2.2176 2.3474 2.3474 4.3310 4.3310 9.9326 9.9326 11.0758 11.0758 11.5189 11.5189 17.8994 17.8994 k = 0.7403-0.2078 0.2640 ( 1752 PWs) bands (ev): -15.4365 -15.4365 -5.0622 -5.0622 -4.9182 -4.9182 -2.8858 -2.8858 -2.8552 -2.8552 -2.6547 -2.6547 2.0661 2.0661 2.2074 2.2074 2.3489 2.3489 4.3254 4.3254 9.9120 9.9120 11.0779 11.0779 11.5562 11.5562 18.0643 18.0643 k = 0.7307-0.2132 0.2709 ( 1752 PWs) bands (ev): -15.4367 -15.4367 -5.0621 -5.0621 -4.9186 -4.9186 -2.8824 -2.8824 -2.8593 -2.8593 -2.6543 -2.6543 2.0730 2.0730 2.1993 2.1993 2.3528 2.3528 4.3146 4.3146 9.8907 9.8907 11.0849 11.0849 11.6007 11.6007 18.0596 18.0596 k = 0.7211-0.2186 0.2777 ( 1752 PWs) bands (ev): -15.4369 -15.4369 -5.0620 -5.0620 -4.9190 -4.9190 -2.8789 -2.8789 -2.8633 -2.8633 -2.6539 -2.6539 2.0765 2.0765 2.1942 2.1942 2.3591 2.3591 4.2987 4.2987 9.8689 9.8689 11.0972 11.0972 11.6515 11.6515 17.8990 17.8990 k = 0.7115-0.2239 0.2845 ( 1758 PWs) bands (ev): -15.4372 -15.4372 -5.0620 -5.0620 -4.9193 -4.9193 -2.8753 -2.8753 -2.8671 -2.8671 -2.6535 -2.6535 2.0762 2.0762 2.1926 2.1926 2.3677 2.3677 4.2778 4.2778 9.8469 9.8469 11.1152 11.1152 11.7078 11.7078 17.7157 17.7157 k = 0.7019-0.2293 0.2913 ( 1762 PWs) bands (ev): -15.4374 -15.4374 -5.0619 -5.0619 -4.9196 -4.9196 -2.8717 -2.8717 -2.8706 -2.8706 -2.6531 -2.6531 2.0720 2.0720 2.1947 2.1947 2.3786 2.3786 4.2522 4.2522 9.8246 9.8246 11.1389 11.1389 11.7693 11.7693 17.5295 17.5295 k = 0.6923-0.2347 0.2982 ( 1764 PWs) bands (ev): -15.4377 -15.4377 -5.0618 -5.0618 -4.9199 -4.9199 -2.8741 -2.8741 -2.8679 -2.8679 -2.6527 -2.6527 2.0647 2.0647 2.1997 2.1997 2.3919 2.3919 4.2221 4.2221 9.8023 9.8023 11.1682 11.1682 11.8352 11.8352 17.3440 17.3440 k = 0.6827-0.2400 0.3050 ( 1764 PWs) bands (ev): -15.4379 -15.4379 -5.0617 -5.0617 -4.9201 -4.9201 -2.8773 -2.8773 -2.8642 -2.8642 -2.6522 -2.6522 2.0552 2.0552 2.2067 2.2067 2.4074 2.4074 4.1878 4.1878 9.7801 9.7801 11.2027 11.2027 11.9053 11.9053 17.1604 17.1604 k = 0.6730-0.2454 0.3118 ( 1768 PWs) bands (ev): -15.4382 -15.4382 -5.0617 -5.0617 -4.9203 -4.9203 -2.8803 -2.8803 -2.8604 -2.8604 -2.6518 -2.6518 2.0444 2.0444 2.2150 2.2150 2.4252 2.4252 4.1496 4.1496 9.7582 9.7582 11.2423 11.2423 11.9792 11.9792 16.9792 16.9792 k = 0.6634-0.2508 0.3186 ( 1768 PWs) bands (ev): -15.4384 -15.4384 -5.0616 -5.0616 -4.9204 -4.9204 -2.8831 -2.8831 -2.8567 -2.8567 -2.6513 -2.6513 2.0327 2.0327 2.2239 2.2239 2.4452 2.4452 4.1079 4.1079 9.7367 9.7367 11.2862 11.2862 12.0564 12.0564 16.8007 16.8007 k = 0.6538-0.2562 0.3255 ( 1768 PWs) bands (ev): -15.4387 -15.4387 -5.0615 -5.0615 -4.9205 -4.9205 -2.8857 -2.8857 -2.8531 -2.8531 -2.6508 -2.6508 2.0208 2.0208 2.2330 2.2330 2.4675 2.4675 4.0629 4.0629 9.7157 9.7157 11.3340 11.3340 12.1368 12.1368 16.6252 16.6252 k = 0.6442-0.2615 0.3323 ( 1768 PWs) bands (ev): -15.4390 -15.4390 -5.0614 -5.0614 -4.9205 -4.9205 -2.8882 -2.8882 -2.8495 -2.8495 -2.6503 -2.6503 2.0088 2.0088 2.2422 2.2422 2.4919 2.4919 4.0152 4.0152 9.6955 9.6955 11.3850 11.3850 12.2200 12.2200 16.4528 16.4528 k = 0.6346-0.2669 0.3391 ( 1772 PWs) bands (ev): -15.4392 -15.4392 -5.0613 -5.0613 -4.9206 -4.9206 -2.8904 -2.8904 -2.8460 -2.8460 -2.6498 -2.6498 1.9969 1.9969 2.2512 2.2512 2.5184 2.5184 3.9650 3.9650 9.6761 9.6761 11.4385 11.4385 12.3056 12.3056 16.2839 16.2839 k = 0.6250-0.2723 0.3460 ( 1772 PWs) bands (ev): -15.4395 -15.4395 -5.0612 -5.0612 -4.9206 -4.9206 -2.8924 -2.8924 -2.8426 -2.8426 -2.6493 -2.6493 1.9854 1.9854 2.2598 2.2598 2.5471 2.5471 3.9128 3.9128 9.6576 9.6576 11.4937 11.4937 12.3933 12.3933 16.1186 16.1186 k = 0.6154-0.2777 0.3528 ( 1772 PWs) bands (ev): -15.4397 -15.4397 -5.0611 -5.0611 -4.9206 -4.9206 -2.8943 -2.8943 -2.8394 -2.8394 -2.6489 -2.6489 1.9744 1.9744 2.2681 2.2681 2.5777 2.5777 3.8589 3.8589 9.6402 9.6402 11.5499 11.5499 12.4827 12.4827 15.9572 15.9572 k = 0.6057-0.2830 0.3596 ( 1764 PWs) bands (ev): -15.4399 -15.4399 -5.0610 -5.0610 -4.9205 -4.9205 -2.8960 -2.8960 -2.8362 -2.8362 -2.6484 -2.6484 1.9640 1.9640 2.2759 2.2759 2.6103 2.6103 3.8038 3.8038 9.6240 9.6240 11.6062 11.6062 12.5735 12.5735 15.8001 15.8001 k = 0.5961-0.2884 0.3664 ( 1764 PWs) bands (ev): -15.4401 -15.4401 -5.0609 -5.0609 -4.9204 -4.9204 -2.8975 -2.8975 -2.8334 -2.8334 -2.6479 -2.6479 1.9542 1.9542 2.2831 2.2831 2.6447 2.6447 3.7477 3.7477 9.6089 9.6089 11.6619 11.6619 12.6651 12.6651 15.6477 15.6477 k = 0.5865-0.2938 0.3733 ( 1764 PWs) bands (ev): -15.4403 -15.4403 -5.0608 -5.0608 -4.9204 -4.9204 -2.8988 -2.8988 -2.8307 -2.8307 -2.6475 -2.6475 1.9451 1.9451 2.2898 2.2898 2.6808 2.6808 3.6911 3.6911 9.5952 9.5952 11.7159 11.7159 12.7570 12.7570 15.5005 15.5005 k = 0.5769-0.2992 0.3801 ( 1768 PWs) bands (ev): -15.4405 -15.4405 -5.0608 -5.0608 -4.9203 -4.9203 -2.9000 -2.9000 -2.8283 -2.8283 -2.6471 -2.6471 1.9369 1.9369 2.2958 2.2958 2.7185 2.7185 3.6345 3.6345 9.5827 9.5827 11.7675 11.7675 12.8486 12.8486 15.3593 15.3593 k = 0.5673-0.3045 0.3869 ( 1768 PWs) bands (ev): -15.4407 -15.4407 -5.0607 -5.0607 -4.9202 -4.9202 -2.9011 -2.9011 -2.8261 -2.8261 -2.6468 -2.6468 1.9294 1.9294 2.3012 2.3012 2.7574 2.7574 3.5783 3.5783 9.5717 9.5717 11.8157 11.8157 12.9387 12.9387 15.2250 15.2250 k = 0.5577-0.3099 0.3938 ( 1772 PWs) bands (ev): -15.4408 -15.4408 -5.0607 -5.0607 -4.9202 -4.9202 -2.9019 -2.9019 -2.8242 -2.8242 -2.6464 -2.6464 1.9229 1.9229 2.3059 2.3059 2.7972 2.7972 3.5231 3.5231 9.5620 9.5620 11.8597 11.8597 13.0263 13.0263 15.0990 15.0990 k = 0.5481-0.3153 0.4006 ( 1770 PWs) bands (ev): -15.4409 -15.4409 -5.0606 -5.0606 -4.9201 -4.9201 -2.9027 -2.9027 -2.8225 -2.8225 -2.6461 -2.6461 1.9173 1.9173 2.3100 2.3100 2.8373 2.8373 3.4697 3.4697 9.5538 9.5538 11.8985 11.8985 13.1096 13.1096 14.9831 14.9831 k = 0.5385-0.3207 0.4074 ( 1770 PWs) bands (ev): -15.4411 -15.4411 -5.0606 -5.0606 -4.9201 -4.9201 -2.9033 -2.9033 -2.8211 -2.8211 -2.6459 -2.6459 1.9127 1.9127 2.3133 2.3133 2.8768 2.8768 3.4191 3.4191 9.5471 9.5471 11.9315 11.9315 13.1861 13.1861 14.8796 14.8796 k = 0.5288-0.3260 0.4142 ( 1776 PWs) bands (ev): -15.4411 -15.4411 -5.0606 -5.0606 -4.9201 -4.9201 -2.9037 -2.9037 -2.8201 -2.8201 -2.6457 -2.6457 1.9091 1.9091 2.3159 2.3159 2.9140 2.9140 3.3731 3.3731 9.5418 9.5418 11.9580 11.9580 13.2526 13.2526 14.7920 14.7920 k = 0.5192-0.3314 0.4211 ( 1772 PWs) bands (ev): -15.4412 -15.4412 -5.0606 -5.0606 -4.9200 -4.9200 -2.9041 -2.9041 -2.8193 -2.8193 -2.6456 -2.6456 1.9065 1.9065 2.3177 2.3177 2.9464 2.9464 3.3344 3.3344 9.5381 9.5381 11.9773 11.9773 13.3052 13.3052 14.7244 14.7244 k = 0.5096-0.3368 0.4279 ( 1776 PWs) bands (ev): -15.4412 -15.4412 -5.0606 -5.0606 -4.9200 -4.9200 -2.9043 -2.9043 -2.8188 -2.8188 -2.6455 -2.6455 1.9049 1.9049 2.3189 2.3189 2.9696 2.9696 3.3074 3.3074 9.5358 9.5358 11.9891 11.9891 13.3392 13.3392 14.6812 14.6812 k = 0.5000-0.3421 0.4347 ( 1772 PWs) bands (ev): -15.4412 -15.4412 -5.0606 -5.0606 -4.9200 -4.9200 -2.9043 -2.9043 -2.8187 -2.8187 -2.6455 -2.6455 1.9044 1.9044 2.3192 2.3192 2.9782 2.9782 3.2975 3.2975 9.5350 9.5350 11.9931 11.9931 13.3511 13.3511 14.6664 14.6664 k = 0.5000 0.2795 0.2844 ( 1756 PWs) bands (ev): -15.4336 -15.4336 -5.0957 -5.0957 -5.0356 -5.0356 -3.0276 -3.0276 -2.9006 -2.9006 -2.8173 -2.8173 0.5035 0.5035 3.2385 3.2385 3.3691 3.3691 5.7623 5.7623 7.5528 7.5528 11.9875 11.9875 14.0870 14.0870 16.8356 16.8356 k = 0.4898 0.2738 0.2786 ( 1754 PWs) bands (ev): -15.4337 -15.4337 -5.0957 -5.0957 -5.0356 -5.0356 -3.0274 -3.0274 -2.9006 -2.9006 -2.8174 -2.8174 0.5034 0.5034 3.2384 3.2384 3.3686 3.3686 5.7544 5.7544 7.5632 7.5632 11.9895 11.9895 14.0889 14.0889 16.8354 16.8354 k = 0.4796 0.2681 0.2728 ( 1750 PWs) bands (ev): -15.4339 -15.4339 -5.0956 -5.0956 -5.0356 -5.0356 -3.0268 -3.0268 -2.9006 -2.9006 -2.8176 -2.8176 0.5032 0.5032 3.2381 3.2381 3.3671 3.3671 5.7313 5.7313 7.5936 7.5936 11.9957 11.9957 14.0944 14.0944 16.8347 16.8347 k = 0.4694 0.2624 0.2670 ( 1751 PWs) bands (ev): -15.4343 -15.4343 -5.0954 -5.0954 -5.0355 -5.0355 -3.0259 -3.0259 -2.9006 -2.9006 -2.8180 -2.8180 0.5029 0.5029 3.2376 3.2376 3.3647 3.3647 5.6942 5.6942 7.6426 7.6426 12.0060 12.0060 14.1037 14.1037 16.8336 16.8336 k = 0.4592 0.2567 0.2612 ( 1752 PWs) bands (ev): -15.4349 -15.4349 -5.0952 -5.0952 -5.0355 -5.0355 -3.0247 -3.0247 -2.9006 -2.9006 -2.8185 -2.8185 0.5025 0.5025 3.2369 3.2369 3.3614 3.3614 5.6453 5.6453 7.7083 7.7083 12.0204 12.0204 14.1166 14.1166 16.8321 16.8321 k = 0.4490 0.2510 0.2554 ( 1753 PWs) bands (ev): -15.4356 -15.4356 -5.0949 -5.0949 -5.0355 -5.0355 -3.0231 -3.0231 -2.9006 -2.9006 -2.8191 -2.8191 0.5020 0.5020 3.2360 3.2360 3.3570 3.3570 5.5867 5.5867 7.7885 7.7885 12.0388 12.0388 14.1332 14.1332 16.8303 16.8303 k = 0.4388 0.2453 0.2496 ( 1753 PWs) bands (ev): -15.4365 -15.4365 -5.0946 -5.0946 -5.0355 -5.0355 -3.0211 -3.0211 -2.9007 -2.9007 -2.8199 -2.8199 0.5014 0.5014 3.2348 3.2348 3.3518 3.3518 5.5205 5.5205 7.8811 7.8811 12.0614 12.0614 14.1533 14.1533 16.8283 16.8283 k = 0.4286 0.2396 0.2438 ( 1755 PWs) bands (ev): -15.4375 -15.4375 -5.0942 -5.0942 -5.0354 -5.0354 -3.0189 -3.0189 -2.9007 -2.9007 -2.8208 -2.8208 0.5009 0.5009 3.2335 3.2335 3.3457 3.3457 5.4484 5.4484 7.9841 7.9841 12.0879 12.0879 14.1771 14.1771 16.8262 16.8262 k = 0.4184 0.2339 0.2380 ( 1753 PWs) bands (ev): -15.4387 -15.4387 -5.0938 -5.0938 -5.0354 -5.0354 -3.0163 -3.0163 -2.9007 -2.9007 -2.8218 -2.8218 0.5004 0.5004 3.2320 3.2320 3.3388 3.3388 5.3720 5.3720 8.0961 8.0961 12.1185 12.1185 14.2044 14.2044 16.8241 16.8241 k = 0.4082 0.2282 0.2322 ( 1751 PWs) bands (ev): -15.4400 -15.4400 -5.0933 -5.0933 -5.0353 -5.0353 -3.0134 -3.0134 -2.9007 -2.9007 -2.8229 -2.8229 0.5000 0.5000 3.2302 3.2302 3.3310 3.3310 5.2924 5.2924 8.2159 8.2159 12.1531 12.1531 14.2351 14.2351 16.8222 16.8222 k = 0.3980 0.2225 0.2264 ( 1750 PWs) bands (ev): -15.4414 -15.4414 -5.0928 -5.0928 -5.0353 -5.0353 -3.0102 -3.0102 -2.9008 -2.9008 -2.8241 -2.8241 0.4997 0.4997 3.2283 3.2283 3.3224 3.3224 5.2106 5.2106 8.3423 8.3423 12.1916 12.1916 14.2693 14.2693 16.8206 16.8206 k = 0.3878 0.2167 0.2206 ( 1749 PWs) bands (ev): -15.4430 -15.4430 -5.0922 -5.0922 -5.0352 -5.0352 -3.0068 -3.0068 -2.9008 -2.9008 -2.8254 -2.8254 0.4997 0.4997 3.2262 3.2262 3.3131 3.3131 5.1274 5.1274 8.4745 8.4745 12.2341 12.2341 14.3067 14.3067 16.8194 16.8194 k = 0.3776 0.2110 0.2148 ( 1749 PWs) bands (ev): -15.4447 -15.4447 -5.0916 -5.0916 -5.0352 -5.0352 -3.0032 -3.0032 -2.9009 -2.9009 -2.8267 -2.8267 0.4998 0.4998 3.2239 3.2239 3.3030 3.3030 5.0433 5.0433 8.6120 8.6120 12.2804 12.2804 14.3475 14.3475 16.8188 16.8188 k = 0.3673 0.2053 0.2090 ( 1751 PWs) bands (ev): -15.4465 -15.4465 -5.0910 -5.0910 -5.0352 -5.0352 -2.9993 -2.9993 -2.9010 -2.9010 -2.8280 -2.8280 0.5003 0.5003 3.2213 3.2213 3.2924 3.2924 4.9587 4.9587 8.7541 8.7541 12.3306 12.3306 14.3914 14.3914 16.8190 16.8190 k = 0.3571 0.1996 0.2032 ( 1748 PWs) bands (ev): -15.4484 -15.4484 -5.0904 -5.0904 -5.0351 -5.0351 -2.9953 -2.9953 -2.9012 -2.9012 -2.8294 -2.8294 0.5012 0.5012 3.2186 3.2186 3.2811 3.2811 4.8741 4.8741 8.9003 8.9003 12.3846 12.3846 14.4384 14.4384 16.8201 16.8201 k = 0.3469 0.1939 0.1974 ( 1751 PWs) bands (ev): -15.4504 -15.4504 -5.0897 -5.0897 -5.0351 -5.0351 -2.9911 -2.9911 -2.9014 -2.9014 -2.8308 -2.8308 0.5026 0.5026 3.2156 3.2156 3.2694 3.2694 4.7898 4.7898 9.0503 9.0503 12.4423 12.4423 14.4885 14.4885 16.8222 16.8222 k = 0.3367 0.1882 0.1916 ( 1751 PWs) bands (ev): -15.4525 -15.4525 -5.0891 -5.0891 -5.0351 -5.0351 -2.9868 -2.9868 -2.9016 -2.9016 -2.8321 -2.8321 0.5044 0.5044 3.2123 3.2123 3.2573 3.2573 4.7059 4.7059 9.2037 9.2037 12.5039 12.5039 14.5414 14.5414 16.8256 16.8256 k = 0.3265 0.1825 0.1858 ( 1750 PWs) bands (ev): -15.4547 -15.4547 -5.0885 -5.0885 -5.0351 -5.0351 -2.9824 -2.9824 -2.9018 -2.9018 -2.8334 -2.8334 0.5069 0.5069 3.2084 3.2084 3.2451 3.2451 4.6226 4.6226 9.3601 9.3601 12.5691 12.5691 14.5971 14.5971 16.8304 16.8304 k = 0.3163 0.1768 0.1800 ( 1753 PWs) bands (ev): -15.4569 -15.4569 -5.0878 -5.0878 -5.0351 -5.0351 -2.9779 -2.9779 -2.9022 -2.9022 -2.8346 -2.8346 0.5099 0.5099 3.2038 3.2038 3.2331 3.2331 4.5402 4.5402 9.5192 9.5192 12.6381 12.6381 14.6555 14.6555 16.8368 16.8368 k = 0.3061 0.1711 0.1741 ( 1754 PWs) bands (ev): -15.4593 -15.4593 -5.0872 -5.0872 -5.0351 -5.0351 -2.9734 -2.9734 -2.9026 -2.9026 -2.8358 -2.8358 0.5136 0.5136 3.1977 3.1977 3.2221 3.2221 4.4587 4.4587 9.6807 9.6807 12.7108 12.7108 14.7165 14.7165 16.8448 16.8448 k = 0.2959 0.1654 0.1683 ( 1752 PWs) bands (ev): -15.4616 -15.4616 -5.0866 -5.0866 -5.0350 -5.0350 -2.9689 -2.9689 -2.9030 -2.9030 -2.8367 -2.8367 0.5180 0.5180 3.1891 3.1891 3.2131 3.2131 4.3782 4.3782 9.8443 9.8443 12.7871 12.7871 14.7799 14.7799 16.8546 16.8546 k = 0.2857 0.1597 0.1625 ( 1754 PWs) bands (ev): -15.4641 -15.4641 -5.0860 -5.0860 -5.0351 -5.0351 -2.9645 -2.9645 -2.9035 -2.9035 -2.8376 -2.8376 0.5232 0.5232 3.1777 3.1777 3.2064 3.2064 4.2990 4.2990 10.0097 10.0097 12.8672 12.8672 14.8457 14.8457 16.8665 16.8665 k = 0.2755 0.1540 0.1567 ( 1755 PWs) bands (ev): -15.4665 -15.4665 -5.0855 -5.0855 -5.0351 -5.0351 -2.9602 -2.9602 -2.9041 -2.9041 -2.8382 -2.8382 0.5292 0.5292 3.1646 3.1646 3.2012 3.2012 4.2210 4.2210 10.1764 10.1764 12.9509 12.9509 14.9136 14.9136 16.8804 16.8804 k = 0.2653 0.1483 0.1509 ( 1754 PWs) bands (ev): -15.4690 -15.4690 -5.0850 -5.0850 -5.0351 -5.0351 -2.9560 -2.9560 -2.9047 -2.9047 -2.8386 -2.8386 0.5360 0.5360 3.1505 3.1505 3.1966 3.1966 4.1444 4.1444 10.3441 10.3441 13.0384 13.0384 14.9837 14.9837 16.8965 16.8965 k = 0.2551 0.1426 0.1451 ( 1756 PWs) bands (ev): -15.4715 -15.4715 -5.0845 -5.0845 -5.0351 -5.0351 -2.9520 -2.9520 -2.9054 -2.9054 -2.8388 -2.8388 0.5436 0.5436 3.1358 3.1358 3.1924 3.1924 4.0693 4.0693 10.5124 10.5124 13.1297 13.1297 15.0557 15.0557 16.9150 16.9150 k = 0.2449 0.1369 0.1393 ( 1758 PWs) bands (ev): -15.4740 -15.4740 -5.0841 -5.0841 -5.0351 -5.0351 -2.9483 -2.9483 -2.9061 -2.9061 -2.8387 -2.8387 0.5521 0.5521 3.1207 3.1207 3.1883 3.1883 3.9958 3.9958 10.6808 10.6808 13.2249 13.2249 15.1294 15.1294 16.9359 16.9359 k = 0.2347 0.1312 0.1335 ( 1757 PWs) bands (ev): -15.4765 -15.4765 -5.0837 -5.0837 -5.0351 -5.0351 -2.9448 -2.9448 -2.9068 -2.9068 -2.8383 -2.8383 0.5614 0.5614 3.1054 3.1054 3.1843 3.1843 3.9240 3.9240 10.8489 10.8489 13.3240 13.3240 15.2049 15.2049 16.9594 16.9594 k = 0.2245 0.1255 0.1277 ( 1754 PWs) bands (ev): -15.4790 -15.4790 -5.0833 -5.0833 -5.0351 -5.0351 -2.9417 -2.9417 -2.9075 -2.9075 -2.8376 -2.8376 0.5716 0.5716 3.0900 3.0900 3.1802 3.1802 3.8540 3.8540 11.0161 11.0161 13.4271 13.4271 15.2818 15.2818 16.9855 16.9855 k = 0.2143 0.1198 0.1219 ( 1754 PWs) bands (ev): -15.4814 -15.4814 -5.0830 -5.0830 -5.0351 -5.0351 -2.9389 -2.9389 -2.9082 -2.9082 -2.8367 -2.8367 0.5826 0.5826 3.0745 3.0745 3.1760 3.1760 3.7861 3.7861 11.1818 11.1818 13.5343 13.5343 15.3602 15.3602 17.0143 17.0143 k = 0.2041 0.1141 0.1161 ( 1757 PWs) bands (ev): -15.4838 -15.4838 -5.0828 -5.0828 -5.0351 -5.0351 -2.9366 -2.9366 -2.9088 -2.9088 -2.8355 -2.8355 0.5943 0.5943 3.0589 3.0589 3.1717 3.1717 3.7203 3.7203 11.3454 11.3454 13.6458 13.6458 15.4397 15.4397 17.0458 17.0458 k = 0.1939 0.1084 0.1103 ( 1758 PWs) bands (ev): -15.4862 -15.4862 -5.0826 -5.0826 -5.0352 -5.0352 -2.9347 -2.9347 -2.9092 -2.9092 -2.8340 -2.8340 0.6068 0.6068 3.0432 3.0432 3.1672 3.1672 3.6569 3.6569 11.5063 11.5063 13.7616 13.7616 15.5204 15.5204 17.0803 17.0803 k = 0.1837 0.1027 0.1045 ( 1758 PWs) bands (ev): -15.4885 -15.4885 -5.0825 -5.0825 -5.0352 -5.0352 -2.9334 -2.9334 -2.9096 -2.9096 -2.8322 -2.8322 0.6199 0.6199 3.0276 3.0276 3.1625 3.1625 3.5962 3.5962 11.6636 11.6636 13.8819 13.8819 15.6021 15.6021 17.1176 17.1176 k = 0.1735 0.0970 0.0987 ( 1756 PWs) bands (ev): -15.4907 -15.4907 -5.0823 -5.0823 -5.0351 -5.0351 -2.9324 -2.9324 -2.9097 -2.9097 -2.8303 -2.8303 0.6336 0.6336 3.0118 3.0118 3.1574 3.1574 3.5384 3.5384 11.8167 11.8167 14.0065 14.0065 15.6847 15.6847 17.1579 17.1579 k = 0.1633 0.0913 0.0929 ( 1756 PWs) bands (ev): -15.4929 -15.4929 -5.0823 -5.0823 -5.0351 -5.0351 -2.9320 -2.9320 -2.9097 -2.9097 -2.8282 -2.8282 0.6478 0.6478 2.9960 2.9960 3.1519 3.1519 3.4839 3.4839 11.9648 11.9648 14.1355 14.1355 15.7680 15.7680 17.2012 17.2012 k = 0.1531 0.0856 0.0871 ( 1759 PWs) bands (ev): -15.4950 -15.4950 -5.0822 -5.0822 -5.0351 -5.0351 -2.9319 -2.9319 -2.9095 -2.9095 -2.8260 -2.8260 0.6624 0.6624 2.9800 2.9800 3.1456 3.1456 3.4331 3.4331 12.1073 12.1073 14.2686 14.2686 15.8520 15.8520 17.2475 17.2475 k = 0.1429 0.0799 0.0813 ( 1758 PWs) bands (ev): -15.4970 -15.4970 -5.0822 -5.0822 -5.0351 -5.0351 -2.9322 -2.9322 -2.9092 -2.9092 -2.8236 -2.8236 0.6773 0.6773 2.9637 2.9637 3.1385 3.1385 3.3865 3.3865 12.2433 12.2433 14.4054 14.4054 15.9367 15.9367 17.2968 17.2968 k = 0.1327 0.0742 0.0755 ( 1758 PWs) bands (ev): -15.4989 -15.4989 -5.0823 -5.0823 -5.0351 -5.0351 -2.9327 -2.9327 -2.9088 -2.9088 -2.8212 -2.8212 0.6923 0.6923 2.9472 2.9472 3.1301 3.1301 3.3448 3.3448 12.3723 12.3723 14.5455 14.5455 16.0220 16.0220 17.3491 17.3491 k = 0.1224 0.0684 0.0697 ( 1759 PWs) bands (ev): -15.5007 -15.5007 -5.0823 -5.0823 -5.0351 -5.0351 -2.9334 -2.9334 -2.9085 -2.9085 -2.8188 -2.8188 0.7073 0.7073 2.9303 2.9303 3.1202 3.1202 3.3086 3.3086 12.4936 12.4936 14.6879 14.6879 16.1079 16.1079 17.4045 17.4045 k = 0.1122 0.0627 0.0639 ( 1756 PWs) bands (ev): -15.5023 -15.5023 -5.0824 -5.0824 -5.0350 -5.0350 -2.9341 -2.9341 -2.9081 -2.9081 -2.8165 -2.8165 0.7221 0.7221 2.9131 2.9131 3.1086 3.1086 3.2782 3.2782 12.6067 12.6067 14.8314 14.8314 16.1946 16.1946 17.4628 17.4628 k = 0.1020 0.0570 0.0580 ( 1753 PWs) bands (ev): -15.5039 -15.5039 -5.0825 -5.0825 -5.0350 -5.0350 -2.9350 -2.9350 -2.9077 -2.9077 -2.8142 -2.8142 0.7365 0.7365 2.8954 2.8954 3.0954 3.0954 3.2539 3.2539 12.7113 12.7113 14.9745 14.9745 16.2822 16.2822 17.5241 17.5241 k = 0.0918 0.0513 0.0522 ( 1753 PWs) bands (ev): -15.5053 -15.5053 -5.0826 -5.0826 -5.0350 -5.0350 -2.9358 -2.9358 -2.9074 -2.9074 -2.8120 -2.8120 0.7504 0.7504 2.8775 2.8775 3.0811 3.0811 3.2351 3.2351 12.8068 12.8068 15.1153 15.1153 16.3708 16.3708 17.5884 17.5884 k = 0.0816 0.0456 0.0464 ( 1753 PWs) bands (ev): -15.5066 -15.5066 -5.0827 -5.0827 -5.0349 -5.0349 -2.9366 -2.9366 -2.9071 -2.9071 -2.8100 -2.8100 0.7635 0.7635 2.8597 2.8597 3.0667 3.0667 3.2210 3.2210 12.8930 12.8930 15.2513 15.2513 16.4604 16.4604 17.6557 17.6557 k = 0.0714 0.0399 0.0406 ( 1754 PWs) bands (ev): -15.5077 -15.5077 -5.0828 -5.0828 -5.0349 -5.0349 -2.9374 -2.9374 -2.9068 -2.9068 -2.8082 -2.8082 0.7757 0.7757 2.8423 2.8423 3.0529 3.0529 3.2105 3.2105 12.9697 12.9697 15.3800 15.3800 16.5508 16.5508 17.7259 17.7259 k = 0.0612 0.0342 0.0348 ( 1752 PWs) bands (ev): -15.5087 -15.5087 -5.0829 -5.0829 -5.0349 -5.0349 -2.9381 -2.9381 -2.9066 -2.9066 -2.8066 -2.8066 0.7868 0.7868 2.8258 2.8258 3.0405 3.0405 3.2027 3.2027 13.0365 13.0365 15.4983 15.4983 16.6413 16.6413 17.7991 17.7991 k = 0.0510 0.0285 0.0290 ( 1751 PWs) bands (ev): -15.5096 -15.5096 -5.0830 -5.0830 -5.0348 -5.0348 -2.9387 -2.9387 -2.9064 -2.9064 -2.8051 -2.8051 0.7965 0.7965 2.8107 2.8107 3.0298 3.0298 3.1969 3.1969 13.0934 13.0934 15.6033 15.6033 16.7303 16.7303 17.8749 17.8749 k = 0.0408 0.0228 0.0232 ( 1749 PWs) bands (ev): -15.5103 -15.5103 -5.0830 -5.0830 -5.0348 -5.0348 -2.9392 -2.9392 -2.9063 -2.9063 -2.8039 -2.8039 0.8048 0.8048 2.7976 2.7976 3.0211 3.0211 3.1927 3.1927 13.1402 13.1402 15.6924 15.6924 16.8148 16.8148 17.9528 17.9528 k = 0.0306 0.0171 0.0174 ( 1748 PWs) bands (ev): -15.5109 -15.5109 -5.0831 -5.0831 -5.0348 -5.0348 -2.9397 -2.9397 -2.9062 -2.9062 -2.8029 -2.8029 0.8114 0.8114 2.7869 2.7869 3.0144 3.0144 3.1897 3.1897 13.1767 13.1767 15.7636 15.7636 16.8902 16.8902 18.0307 18.0307 k = 0.0204 0.0114 0.0116 ( 1748 PWs) bands (ev): -15.5113 -15.5113 -5.0831 -5.0831 -5.0348 -5.0348 -2.9400 -2.9400 -2.9061 -2.9061 -2.8023 -2.8023 0.8162 0.8162 2.7789 2.7789 3.0096 3.0096 3.1877 3.1877 13.2028 13.2028 15.8153 15.8153 16.9508 16.9508 18.1036 18.1036 k = 0.0102 0.0057 0.0058 ( 1748 PWs) bands (ev): -15.5115 -15.5115 -5.0832 -5.0832 -5.0348 -5.0348 -2.9401 -2.9401 -2.9060 -2.9060 -2.8019 -2.8019 0.8191 0.8191 2.7741 2.7741 3.0067 3.0067 3.1865 3.1865 13.2186 13.2186 15.8466 15.8466 16.9904 16.9904 18.1600 18.1600 k = 0.0000 0.0000 0.0000 ( 1749 PWs) bands (ev): -15.5116 -15.5116 -5.0832 -5.0832 -5.0348 -5.0348 -2.9402 -2.9402 -2.9060 -2.9060 -2.8017 -2.8017 0.8201 0.8201 2.7724 2.7724 3.0058 3.0058 3.1861 3.1861 13.2238 13.2238 15.8571 15.8571 17.0042 17.0042 18.1823 18.1823 Writing output data file TlF.save init_run : 3.47s CPU 13.32s WALL ( 1 calls) electrons : 180.55s CPU 186.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 180.53s CPU 186.14s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.16s CPU 0.52s WALL ( 1 calls) newd : 0.24s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 527 calls) cegterg : 137.32s CPU 138.55s WALL ( 594 calls) Called by sum_band: Called by *egterg: h_psi : 69.92s CPU 74.23s WALL ( 9665 calls) s_psi : 3.49s CPU 4.23s WALL ( 9665 calls) g_psi : 0.08s CPU 0.15s WALL ( 8544 calls) cdiaghg : 47.16s CPU 45.65s WALL ( 9071 calls) cegterg:over : 12.02s CPU 10.29s WALL ( 8544 calls) cegterg:upda : 0.52s CPU 1.64s WALL ( 8544 calls) cegterg:last : 0.64s CPU 1.21s WALL ( 1701 calls) Called by h_psi: h_psi:vloc : 61.32s CPU 65.52s WALL ( 9665 calls) h_psi:vnl : 8.57s CPU 8.53s WALL ( 9665 calls) add_vuspsi : 1.21s CPU 2.87s WALL ( 9665 calls) General routines calbec : 7.32s CPU 5.53s WALL ( 9665 calls) fft : 0.31s CPU 1.10s WALL ( 19 calls) ffts : 0.03s CPU 0.05s WALL ( 4 calls) fftw : 58.56s CPU 62.32s WALL ( 637320 calls) interpolate : 0.10s CPU 0.14s WALL ( 4 calls) davcio : 0.03s CPU 3.16s WALL ( 1054 calls) Parallel routines fft_scatter : 39.26s CPU 42.49s WALL ( 637343 calls) PWSCF : 3m43.41s CPU 5m28.88s WALL This run was terminated on: 3:51:53 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=