Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:57:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuO.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 11 3 747 321 53 Max 21 12 4 755 339 60 Sum 739 425 129 27003 11905 2059 bravais-lattice index = 14 lattice parameter (alat) = 5.4842 a.u. unit-cell volume = 274.2751 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.484198 celldm(2)= 1.000000 celldm(3)= 1.767574 celldm(4)= 0.130511 celldm(5)= 0.130511 celldm(6)= 0.302048 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.302048 0.953293 0.000000 ) a(3) = ( 0.230688 0.168898 1.744298 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.316847 -0.101573 ) b(2) = ( 0.000000 1.048996 -0.101573 ) b(3) = ( 0.000000 0.000000 0.573297 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 482 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 2) = ( 0.0073529 0.0053834 -0.0014937), wk = 0.0020747 k( 3) = ( 0.0147059 0.0107669 -0.0029874), wk = 0.0020747 k( 4) = ( 0.0220588 0.0161503 -0.0044812), wk = 0.0020747 k( 5) = ( 0.0294118 0.0215338 -0.0059749), wk = 0.0020747 k( 6) = ( 0.0367647 0.0269172 -0.0074686), wk = 0.0020747 k( 7) = ( 0.0441177 0.0323007 -0.0089623), wk = 0.0020747 k( 8) = ( 0.0514706 0.0376841 -0.0104560), wk = 0.0020747 k( 9) = ( 0.0588235 0.0430676 -0.0119498), wk = 0.0020747 k( 10) = ( 0.0661765 0.0484510 -0.0134435), wk = 0.0020747 k( 11) = ( 0.0735294 0.0538345 -0.0149372), wk = 0.0020747 k( 12) = ( 0.0808824 0.0592179 -0.0164309), wk = 0.0020747 k( 13) = ( 0.0882353 0.0646014 -0.0179246), wk = 0.0020747 k( 14) = ( 0.0955882 0.0699848 -0.0194184), wk = 0.0020747 k( 15) = ( 0.1029412 0.0753683 -0.0209121), wk = 0.0020747 k( 16) = ( 0.1102941 0.0807517 -0.0224058), wk = 0.0020747 k( 17) = ( 0.1176471 0.0861352 -0.0238995), wk = 0.0020747 k( 18) = ( 0.1250000 0.0915186 -0.0253932), wk = 0.0020747 k( 19) = ( 0.1323529 0.0969021 -0.0268870), wk = 0.0020747 k( 20) = ( 0.1397059 0.1022855 -0.0283807), wk = 0.0020747 k( 21) = ( 0.1470588 0.1076690 -0.0298744), wk = 0.0020747 k( 22) = ( 0.1544118 0.1130524 -0.0313681), wk = 0.0020747 k( 23) = ( 0.1617647 0.1184359 -0.0328618), wk = 0.0020747 k( 24) = ( 0.1691177 0.1238193 -0.0343556), wk = 0.0020747 k( 25) = ( 0.1764706 0.1292028 -0.0358493), wk = 0.0020747 k( 26) = ( 0.1838235 0.1345862 -0.0373430), wk = 0.0020747 k( 27) = ( 0.1911765 0.1399697 -0.0388367), wk = 0.0020747 k( 28) = ( 0.1985294 0.1453531 -0.0403304), wk = 0.0020747 k( 29) = ( 0.2058823 0.1507365 -0.0418242), wk = 0.0020747 k( 30) = ( 0.2132353 0.1561200 -0.0433179), wk = 0.0020747 k( 31) = ( 0.2205882 0.1615035 -0.0448116), wk = 0.0020747 k( 32) = ( 0.2279412 0.1668869 -0.0463053), wk = 0.0020747 k( 33) = ( 0.2352941 0.1722703 -0.0477990), wk = 0.0020747 k( 34) = ( 0.2426471 0.1776538 -0.0492928), wk = 0.0020747 k( 35) = ( 0.2500000 0.1830372 -0.0507865), wk = 0.0020747 k( 36) = ( 0.2573529 0.1884207 -0.0522802), wk = 0.0020747 k( 37) = ( 0.2647059 0.1938041 -0.0537739), wk = 0.0020747 k( 38) = ( 0.2720588 0.1991876 -0.0552676), wk = 0.0020747 k( 39) = ( 0.2794118 0.2045710 -0.0567614), wk = 0.0020747 k( 40) = ( 0.2867647 0.2099545 -0.0582551), wk = 0.0020747 k( 41) = ( 0.2941177 0.2153379 -0.0597488), wk = 0.0020747 k( 42) = ( 0.3014706 0.2207214 -0.0612425), wk = 0.0020747 k( 43) = ( 0.3088235 0.2261048 -0.0627362), wk = 0.0020747 k( 44) = ( 0.3161765 0.2314883 -0.0642300), wk = 0.0020747 k( 45) = ( 0.3235294 0.2368717 -0.0657237), wk = 0.0020747 k( 46) = ( 0.3308823 0.2422552 -0.0672174), wk = 0.0020747 k( 47) = ( 0.3382353 0.2476386 -0.0687111), wk = 0.0020747 k( 48) = ( 0.3455882 0.2530221 -0.0702048), wk = 0.0020747 k( 49) = ( 0.3529412 0.2584055 -0.0716986), wk = 0.0020747 k( 50) = ( 0.3602941 0.2637890 -0.0731923), wk = 0.0020747 k( 51) = ( 0.3676471 0.2691724 -0.0746860), wk = 0.0020747 k( 52) = ( 0.3750000 0.2745559 -0.0761797), wk = 0.0020747 k( 53) = ( 0.3823529 0.2799393 -0.0776734), wk = 0.0020747 k( 54) = ( 0.3897059 0.2853228 -0.0791672), wk = 0.0020747 k( 55) = ( 0.3970588 0.2907062 -0.0806609), wk = 0.0020747 k( 56) = ( 0.4044118 0.2960896 -0.0821546), wk = 0.0020747 k( 57) = ( 0.4117647 0.3014731 -0.0836483), wk = 0.0020747 k( 58) = ( 0.4191177 0.3068566 -0.0851420), wk = 0.0020747 k( 59) = ( 0.4264706 0.3122400 -0.0866358), wk = 0.0020747 k( 60) = ( 0.4338235 0.3176234 -0.0881295), wk = 0.0020747 k( 61) = ( 0.4411765 0.3230069 -0.0896232), wk = 0.0020747 k( 62) = ( 0.4485294 0.3283903 -0.0911169), wk = 0.0020747 k( 63) = ( 0.4558823 0.3337738 -0.0926106), wk = 0.0020747 k( 64) = ( 0.4632353 0.3391572 -0.0941044), wk = 0.0020747 k( 65) = ( 0.4705882 0.3445407 -0.0955981), wk = 0.0020747 k( 66) = ( 0.4779412 0.3499241 -0.0970918), wk = 0.0020747 k( 67) = ( 0.4852941 0.3553076 -0.0985855), wk = 0.0020747 k( 68) = ( 0.4926471 0.3606910 -0.1000792), wk = 0.0020747 k( 69) = ( 0.5000000 0.3660745 -0.1015730), wk = 0.0020747 k( 70) = ( 0.5000000 0.3660745 -0.1015730), wk = 0.0020747 k( 71) = ( 0.5011656 0.3669278 -0.0927598), wk = 0.0020747 k( 72) = ( 0.5023311 0.3677812 -0.0839467), wk = 0.0020747 k( 73) = ( 0.5034967 0.3686346 -0.0751336), wk = 0.0020747 k( 74) = ( 0.5046622 0.3694879 -0.0663205), wk = 0.0020747 k( 75) = ( 0.5058278 0.3703413 -0.0575074), wk = 0.0020747 k( 76) = ( 0.5069934 0.3711947 -0.0486943), wk = 0.0020747 k( 77) = ( 0.5081589 0.3720480 -0.0398812), wk = 0.0020747 k( 78) = ( 0.5093245 0.3729014 -0.0310681), wk = 0.0020747 k( 79) = ( 0.5104900 0.3737547 -0.0222550), wk = 0.0020747 k( 80) = ( 0.5116556 0.3746081 -0.0134419), wk = 0.0020747 k( 81) = ( 0.5128211 0.3754615 -0.0046287), wk = 0.0020747 k( 82) = ( 0.5139867 0.3763148 0.0041844), wk = 0.0020747 k( 83) = ( 0.5151523 0.3771682 0.0129975), wk = 0.0020747 k( 84) = ( 0.5163178 0.3780216 0.0218106), wk = 0.0020747 k( 85) = ( 0.5174834 0.3788749 0.0306237), wk = 0.0020747 k( 86) = ( 0.5186489 0.3797283 0.0394368), wk = 0.0020747 k( 87) = ( 0.5198145 0.3805816 0.0482499), wk = 0.0020747 k( 88) = ( 0.5209801 0.3814350 0.0570630), wk = 0.0020747 k( 89) = ( 0.5221456 0.3822884 0.0658761), wk = 0.0020747 k( 90) = ( 0.5233112 0.3831417 0.0746892), wk = 0.0020747 k( 91) = ( 0.5244767 0.3839951 0.0835024), wk = 0.0020747 k( 92) = ( 0.5244767 0.3839951 0.0835024), wk = 0.0020747 k( 93) = ( 0.5224370 0.3825017 0.0919668), wk = 0.0020747 k( 94) = ( 0.5203973 0.3810083 0.1004312), wk = 0.0020747 k( 95) = ( 0.5183575 0.3795149 0.1088956), wk = 0.0020747 k( 96) = ( 0.5163178 0.3780216 0.1173600), wk = 0.0020747 k( 97) = ( 0.5142781 0.3765282 0.1258244), wk = 0.0020747 k( 98) = ( 0.5122384 0.3750348 0.1342888), wk = 0.0020747 k( 99) = ( 0.5101986 0.3735414 0.1427532), wk = 0.0020747 k( 100) = ( 0.5081589 0.3720480 0.1512177), wk = 0.0020747 k( 101) = ( 0.5061192 0.3705546 0.1596821), wk = 0.0020747 k( 102) = ( 0.5040795 0.3690613 0.1681465), wk = 0.0020747 k( 103) = ( 0.5020397 0.3675679 0.1766109), wk = 0.0020747 k( 104) = ( 0.5000000 0.3660745 0.1850753), wk = 0.0020747 k( 105) = ( 0.5000000 0.3660745 0.1850753), wk = 0.0020747 k( 106) = ( 0.5053084 0.3588240 0.1850753), wk = 0.0020747 k( 107) = ( 0.5106168 0.3515736 0.1850753), wk = 0.0020747 k( 108) = ( 0.5159253 0.3443231 0.1850753), wk = 0.0020747 k( 109) = ( 0.5212337 0.3370726 0.1850753), wk = 0.0020747 k( 110) = ( 0.5265421 0.3298222 0.1850753), wk = 0.0020747 k( 111) = ( 0.5318505 0.3225717 0.1850753), wk = 0.0020747 k( 112) = ( 0.5371589 0.3153213 0.1850753), wk = 0.0020747 k( 113) = ( 0.5424673 0.3080708 0.1850753), wk = 0.0020747 k( 114) = ( 0.5477758 0.3008203 0.1850753), wk = 0.0020747 k( 115) = ( 0.5530842 0.2935699 0.1850753), wk = 0.0020747 k( 116) = ( 0.5583926 0.2863194 0.1850753), wk = 0.0020747 k( 117) = ( 0.5637010 0.2790689 0.1850753), wk = 0.0020747 k( 118) = ( 0.5690094 0.2718185 0.1850753), wk = 0.0020747 k( 119) = ( 0.5743179 0.2645680 0.1850753), wk = 0.0020747 k( 120) = ( 0.5796263 0.2573176 0.1850753), wk = 0.0020747 k( 121) = ( 0.5849347 0.2500671 0.1850753), wk = 0.0020747 k( 122) = ( 0.5902431 0.2428166 0.1850753), wk = 0.0020747 k( 123) = ( 0.5955515 0.2355662 0.1850753), wk = 0.0020747 k( 124) = ( 0.6008599 0.2283157 0.1850753), wk = 0.0020747 k( 125) = ( 0.6061684 0.2210652 0.1850753), wk = 0.0020747 k( 126) = ( 0.6114768 0.2138148 0.1850753), wk = 0.0020747 k( 127) = ( 0.6167852 0.2065643 0.1850753), wk = 0.0020747 k( 128) = ( 0.6220936 0.1993139 0.1850753), wk = 0.0020747 k( 129) = ( 0.6274020 0.1920634 0.1850753), wk = 0.0020747 k( 130) = ( 0.6327105 0.1848129 0.1850753), wk = 0.0020747 k( 131) = ( 0.3672896 -0.5016596 0.2866483), wk = 0.0020747 k( 132) = ( 0.3618882 -0.4942823 0.2866483), wk = 0.0020747 k( 133) = ( 0.3564869 -0.4869049 0.2866483), wk = 0.0020747 k( 134) = ( 0.3510856 -0.4795276 0.2866483), wk = 0.0020747 k( 135) = ( 0.3456843 -0.4721502 0.2866483), wk = 0.0020747 k( 136) = ( 0.3402830 -0.4647729 0.2866483), wk = 0.0020747 k( 137) = ( 0.3348816 -0.4573955 0.2866483), wk = 0.0020747 k( 138) = ( 0.3294803 -0.4500182 0.2866483), wk = 0.0020747 k( 139) = ( 0.3240790 -0.4426408 0.2866483), wk = 0.0020747 k( 140) = ( 0.3186777 -0.4352635 0.2866483), wk = 0.0020747 k( 141) = ( 0.3132764 -0.4278861 0.2866483), wk = 0.0020747 k( 142) = ( 0.3078751 -0.4205088 0.2866483), wk = 0.0020747 k( 143) = ( 0.3024737 -0.4131314 0.2866483), wk = 0.0020747 k( 144) = ( 0.2970724 -0.4057541 0.2866483), wk = 0.0020747 k( 145) = ( 0.2916711 -0.3983767 0.2866483), wk = 0.0020747 k( 146) = ( 0.2862698 -0.3909994 0.2866483), wk = 0.0020747 k( 147) = ( 0.2808685 -0.3836220 0.2866483), wk = 0.0020747 k( 148) = ( 0.2754672 -0.3762447 0.2866483), wk = 0.0020747 k( 149) = ( 0.2700658 -0.3688674 0.2866483), wk = 0.0020747 k( 150) = ( 0.2646645 -0.3614900 0.2866483), wk = 0.0020747 k( 151) = ( 0.2592632 -0.3541127 0.2866483), wk = 0.0020747 k( 152) = ( 0.2538619 -0.3467353 0.2866483), wk = 0.0020747 k( 153) = ( 0.2484606 -0.3393580 0.2866483), wk = 0.0020747 k( 154) = ( 0.2430593 -0.3319806 0.2866483), wk = 0.0020747 k( 155) = ( 0.2376580 -0.3246033 0.2866483), wk = 0.0020747 k( 156) = ( 0.2322566 -0.3172259 0.2866483), wk = 0.0020747 k( 157) = ( 0.2268553 -0.3098486 0.2866483), wk = 0.0020747 k( 158) = ( 0.2214540 -0.3024712 0.2866483), wk = 0.0020747 k( 159) = ( 0.2160527 -0.2950939 0.2866483), wk = 0.0020747 k( 160) = ( 0.2106514 -0.2877165 0.2866483), wk = 0.0020747 k( 161) = ( 0.2052500 -0.2803392 0.2866483), wk = 0.0020747 k( 162) = ( 0.1998487 -0.2729618 0.2866483), wk = 0.0020747 k( 163) = ( 0.1944474 -0.2655845 0.2866483), wk = 0.0020747 k( 164) = ( 0.1890461 -0.2582071 0.2866483), wk = 0.0020747 k( 165) = ( 0.1836448 -0.2508298 0.2866483), wk = 0.0020747 k( 166) = ( 0.1782435 -0.2434525 0.2866483), wk = 0.0020747 k( 167) = ( 0.1728421 -0.2360751 0.2866483), wk = 0.0020747 k( 168) = ( 0.1674408 -0.2286978 0.2866483), wk = 0.0020747 k( 169) = ( 0.1620395 -0.2213204 0.2866483), wk = 0.0020747 k( 170) = ( 0.1566382 -0.2139431 0.2866483), wk = 0.0020747 k( 171) = ( 0.1512369 -0.2065657 0.2866483), wk = 0.0020747 k( 172) = ( 0.1458356 -0.1991884 0.2866483), wk = 0.0020747 k( 173) = ( 0.1404342 -0.1918110 0.2866483), wk = 0.0020747 k( 174) = ( 0.1350329 -0.1844337 0.2866483), wk = 0.0020747 k( 175) = ( 0.1296316 -0.1770563 0.2866483), wk = 0.0020747 k( 176) = ( 0.1242303 -0.1696790 0.2866483), wk = 0.0020747 k( 177) = ( 0.1188290 -0.1623016 0.2866483), wk = 0.0020747 k( 178) = ( 0.1134277 -0.1549243 0.2866483), wk = 0.0020747 k( 179) = ( 0.1080263 -0.1475469 0.2866483), wk = 0.0020747 k( 180) = ( 0.1026250 -0.1401696 0.2866483), wk = 0.0020747 k( 181) = ( 0.0972237 -0.1327923 0.2866483), wk = 0.0020747 k( 182) = ( 0.0918224 -0.1254149 0.2866483), wk = 0.0020747 k( 183) = ( 0.0864211 -0.1180376 0.2866483), wk = 0.0020747 k( 184) = ( 0.0810198 -0.1106602 0.2866483), wk = 0.0020747 k( 185) = ( 0.0756184 -0.1032829 0.2866483), wk = 0.0020747 k( 186) = ( 0.0702171 -0.0959055 0.2866483), wk = 0.0020747 k( 187) = ( 0.0648158 -0.0885282 0.2866483), wk = 0.0020747 k( 188) = ( 0.0594145 -0.0811508 0.2866483), wk = 0.0020747 k( 189) = ( 0.0540132 -0.0737735 0.2866483), wk = 0.0020747 k( 190) = ( 0.0486118 -0.0663961 0.2866483), wk = 0.0020747 k( 191) = ( 0.0432105 -0.0590188 0.2866483), wk = 0.0020747 k( 192) = ( 0.0378092 -0.0516414 0.2866483), wk = 0.0020747 k( 193) = ( 0.0324079 -0.0442641 0.2866483), wk = 0.0020747 k( 194) = ( 0.0270066 -0.0368867 0.2866483), wk = 0.0020747 k( 195) = ( 0.0216053 -0.0295094 0.2866483), wk = 0.0020747 k( 196) = ( 0.0162040 -0.0221320 0.2866483), wk = 0.0020747 k( 197) = ( 0.0108026 -0.0147547 0.2866483), wk = 0.0020747 k( 198) = ( 0.0054013 -0.0073774 0.2866483), wk = 0.0020747 k( 199) = ( 0.0000000 0.0000000 0.2866483), wk = 0.0020747 k( 200) = ( 0.0000000 0.0000000 0.2866483), wk = 0.0020747 k( 201) = ( 0.0074300 0.0054399 0.2866483), wk = 0.0020747 k( 202) = ( 0.0148601 0.0108798 0.2866483), wk = 0.0020747 k( 203) = ( 0.0222902 0.0163197 0.2866483), wk = 0.0020747 k( 204) = ( 0.0297202 0.0217596 0.2866483), wk = 0.0020747 k( 205) = ( 0.0371503 0.0271995 0.2866483), wk = 0.0020747 k( 206) = ( 0.0445803 0.0326394 0.2866483), wk = 0.0020747 k( 207) = ( 0.0520104 0.0380793 0.2866483), wk = 0.0020747 k( 208) = ( 0.0594404 0.0435192 0.2866483), wk = 0.0020747 k( 209) = ( 0.0668705 0.0489591 0.2866483), wk = 0.0020747 k( 210) = ( 0.0743005 0.0543990 0.2866483), wk = 0.0020747 k( 211) = ( 0.0817306 0.0598389 0.2866483), wk = 0.0020747 k( 212) = ( 0.0891606 0.0652788 0.2866483), wk = 0.0020747 k( 213) = ( 0.0965907 0.0707188 0.2866483), wk = 0.0020747 k( 214) = ( 0.1040207 0.0761587 0.2866483), wk = 0.0020747 k( 215) = ( 0.1114508 0.0815986 0.2866483), wk = 0.0020747 k( 216) = ( 0.1188808 0.0870385 0.2866483), wk = 0.0020747 k( 217) = ( 0.1263109 0.0924784 0.2866483), wk = 0.0020747 k( 218) = ( 0.1337409 0.0979183 0.2866483), wk = 0.0020747 k( 219) = ( 0.1411710 0.1033582 0.2866483), wk = 0.0020747 k( 220) = ( 0.1486010 0.1087981 0.2866483), wk = 0.0020747 k( 221) = ( 0.1560311 0.1142380 0.2866483), wk = 0.0020747 k( 222) = ( 0.1634611 0.1196779 0.2866483), wk = 0.0020747 k( 223) = ( 0.1708912 0.1251178 0.2866483), wk = 0.0020747 k( 224) = ( 0.1783212 0.1305577 0.2866483), wk = 0.0020747 k( 225) = ( 0.1857513 0.1359976 0.2866483), wk = 0.0020747 k( 226) = ( 0.1931813 0.1414375 0.2866483), wk = 0.0020747 k( 227) = ( 0.2006114 0.1468774 0.2866483), wk = 0.0020747 k( 228) = ( 0.2080414 0.1523173 0.2866483), wk = 0.0020747 k( 229) = ( 0.2154715 0.1577572 0.2866483), wk = 0.0020747 k( 230) = ( 0.2229015 0.1631971 0.2866483), wk = 0.0020747 k( 231) = ( 0.2303316 0.1686370 0.2866483), wk = 0.0020747 k( 232) = ( 0.2377616 0.1740769 0.2866483), wk = 0.0020747 k( 233) = ( 0.2451917 0.1795168 0.2866483), wk = 0.0020747 k( 234) = ( 0.2526217 0.1849567 0.2866483), wk = 0.0020747 k( 235) = ( 0.2600518 0.1903966 0.2866483), wk = 0.0020747 k( 236) = ( 0.2674818 0.1958366 0.2866483), wk = 0.0020747 k( 237) = ( 0.2749119 0.2012765 0.2866483), wk = 0.0020747 k( 238) = ( 0.2823419 0.2067164 0.2866483), wk = 0.0020747 k( 239) = ( 0.2897720 0.2121563 0.2866483), wk = 0.0020747 k( 240) = ( 0.2972020 0.2175962 0.2866483), wk = 0.0020747 k( 241) = ( 0.3046321 0.2230361 0.2866483), wk = 0.0020747 k( 242) = ( 0.3120621 0.2284760 0.2866483), wk = 0.0020747 k( 243) = ( 0.3194922 0.2339159 0.2866483), wk = 0.0020747 k( 244) = ( 0.3269223 0.2393558 0.2866483), wk = 0.0020747 k( 245) = ( 0.3343523 0.2447957 0.2866483), wk = 0.0020747 k( 246) = ( 0.3417824 0.2502356 0.2866483), wk = 0.0020747 k( 247) = ( 0.3492124 0.2556755 0.2866483), wk = 0.0020747 k( 248) = ( 0.3566424 0.2611154 0.2866483), wk = 0.0020747 k( 249) = ( 0.3640725 0.2665553 0.2866483), wk = 0.0020747 k( 250) = ( 0.3715025 0.2719952 0.2866483), wk = 0.0020747 k( 251) = ( 0.3789326 0.2774351 0.2866483), wk = 0.0020747 k( 252) = ( 0.3863626 0.2828750 0.2866483), wk = 0.0020747 k( 253) = ( 0.3937927 0.2883149 0.2866483), wk = 0.0020747 k( 254) = ( 0.4012228 0.2937548 0.2866483), wk = 0.0020747 k( 255) = ( 0.4086528 0.2991947 0.2866483), wk = 0.0020747 k( 256) = ( 0.4160829 0.3046346 0.2866483), wk = 0.0020747 k( 257) = ( 0.4235129 0.3100745 0.2866483), wk = 0.0020747 k( 258) = ( 0.4309430 0.3155144 0.2866483), wk = 0.0020747 k( 259) = ( 0.4383730 0.3209543 0.2866483), wk = 0.0020747 k( 260) = ( 0.4458031 0.3263942 0.2866483), wk = 0.0020747 k( 261) = ( 0.4532331 0.3318341 0.2866483), wk = 0.0020747 k( 262) = ( 0.4606632 0.3372741 0.2866483), wk = 0.0020747 k( 263) = ( 0.4680932 0.3427140 0.2866483), wk = 0.0020747 k( 264) = ( 0.4755233 0.3481539 0.2866483), wk = 0.0020747 k( 265) = ( 0.5000000 0.3660745 -0.1015730), wk = 0.0020747 k( 266) = ( 0.5053519 0.3587647 -0.1015730), wk = 0.0020747 k( 267) = ( 0.5107037 0.3514549 -0.1015730), wk = 0.0020747 k( 268) = ( 0.5160556 0.3441451 -0.1015730), wk = 0.0020747 k( 269) = ( 0.5214074 0.3368353 -0.1015730), wk = 0.0020747 k( 270) = ( 0.5267593 0.3295255 -0.1015730), wk = 0.0020747 k( 271) = ( 0.5321112 0.3222157 -0.1015730), wk = 0.0020747 k( 272) = ( 0.5374630 0.3149059 -0.1015730), wk = 0.0020747 k( 273) = ( 0.5428149 0.3075961 -0.1015730), wk = 0.0020747 k( 274) = ( 0.5481667 0.3002863 -0.1015730), wk = 0.0020747 k( 275) = ( 0.5535186 0.2929765 -0.1015730), wk = 0.0020747 k( 276) = ( 0.5588705 0.2856667 -0.1015730), wk = 0.0020747 k( 277) = ( 0.5642223 0.2783569 -0.1015730), wk = 0.0020747 k( 278) = ( 0.5695742 0.2710471 -0.1015730), wk = 0.0020747 k( 279) = ( 0.5749260 0.2637373 -0.1015730), wk = 0.0020747 k( 280) = ( 0.5802779 0.2564275 -0.1015730), wk = 0.0020747 k( 281) = ( 0.5856298 0.2491177 -0.1015730), wk = 0.0020747 k( 282) = ( 0.5909816 0.2418079 -0.1015730), wk = 0.0020747 k( 283) = ( 0.5963335 0.2344981 -0.1015730), wk = 0.0020747 k( 284) = ( 0.6016854 0.2271883 -0.1015730), wk = 0.0020747 k( 285) = ( 0.6070372 0.2198785 -0.1015730), wk = 0.0020747 k( 286) = ( 0.6123891 0.2125687 -0.1015730), wk = 0.0020747 k( 287) = ( 0.3876109 -0.5294154 0.0000000), wk = 0.0020747 k( 288) = ( 0.3822275 -0.5220624 -0.0000000), wk = 0.0020747 k( 289) = ( 0.3768440 -0.5147094 -0.0000000), wk = 0.0020747 k( 290) = ( 0.3714605 -0.5073564 -0.0000000), wk = 0.0020747 k( 291) = ( 0.3660770 -0.5000034 -0.0000000), wk = 0.0020747 k( 292) = ( 0.3606935 -0.4926504 0.0000000), wk = 0.0020747 k( 293) = ( 0.3553100 -0.4852974 0.0000000), wk = 0.0020747 k( 294) = ( 0.3499265 -0.4779445 0.0000000), wk = 0.0020747 k( 295) = ( 0.3445431 -0.4705915 0.0000000), wk = 0.0020747 k( 296) = ( 0.3391596 -0.4632385 -0.0000000), wk = 0.0020747 k( 297) = ( 0.3337761 -0.4558855 -0.0000000), wk = 0.0020747 k( 298) = ( 0.3283926 -0.4485325 -0.0000000), wk = 0.0020747 k( 299) = ( 0.3230091 -0.4411795 -0.0000000), wk = 0.0020747 k( 300) = ( 0.3176256 -0.4338265 0.0000000), wk = 0.0020747 k( 301) = ( 0.3122421 -0.4264735 0.0000000), wk = 0.0020747 k( 302) = ( 0.3068587 -0.4191205 -0.0000000), wk = 0.0020747 k( 303) = ( 0.3014752 -0.4117675 0.0000000), wk = 0.0020747 k( 304) = ( 0.2960917 -0.4044145 -0.0000000), wk = 0.0020747 k( 305) = ( 0.2907082 -0.3970615 -0.0000000), wk = 0.0020747 k( 306) = ( 0.2853247 -0.3897086 -0.0000000), wk = 0.0020747 k( 307) = ( 0.2799412 -0.3823556 0.0000000), wk = 0.0020747 k( 308) = ( 0.2745577 -0.3750026 0.0000000), wk = 0.0020747 k( 309) = ( 0.2691743 -0.3676496 -0.0000000), wk = 0.0020747 k( 310) = ( 0.2637908 -0.3602966 -0.0000000), wk = 0.0020747 k( 311) = ( 0.2584073 -0.3529436 0.0000000), wk = 0.0020747 k( 312) = ( 0.2530238 -0.3455906 -0.0000000), wk = 0.0020747 k( 313) = ( 0.2476403 -0.3382376 -0.0000000), wk = 0.0020747 k( 314) = ( 0.2422568 -0.3308846 -0.0000000), wk = 0.0020747 k( 315) = ( 0.2368734 -0.3235316 0.0000000), wk = 0.0020747 k( 316) = ( 0.2314899 -0.3161786 0.0000000), wk = 0.0020747 k( 317) = ( 0.2261064 -0.3088257 -0.0000000), wk = 0.0020747 k( 318) = ( 0.2207229 -0.3014727 0.0000000), wk = 0.0020747 k( 319) = ( 0.2153394 -0.2941197 0.0000000), wk = 0.0020747 k( 320) = ( 0.2099559 -0.2867667 0.0000000), wk = 0.0020747 k( 321) = ( 0.2045724 -0.2794137 -0.0000000), wk = 0.0020747 k( 322) = ( 0.1991890 -0.2720607 0.0000000), wk = 0.0020747 k( 323) = ( 0.1938055 -0.2647077 -0.0000000), wk = 0.0020747 k( 324) = ( 0.1884220 -0.2573547 -0.0000000), wk = 0.0020747 k( 325) = ( 0.1830385 -0.2500017 -0.0000000), wk = 0.0020747 k( 326) = ( 0.1776550 -0.2426487 0.0000000), wk = 0.0020747 k( 327) = ( 0.1722715 -0.2352957 -0.0000000), wk = 0.0020747 k( 328) = ( 0.1668880 -0.2279427 -0.0000000), wk = 0.0020747 k( 329) = ( 0.1615046 -0.2205898 0.0000000), wk = 0.0020747 k( 330) = ( 0.1561211 -0.2132368 0.0000000), wk = 0.0020747 k( 331) = ( 0.1507376 -0.2058838 0.0000000), wk = 0.0020747 k( 332) = ( 0.1453541 -0.1985308 -0.0000000), wk = 0.0020747 k( 333) = ( 0.1399706 -0.1911778 0.0000000), wk = 0.0020747 k( 334) = ( 0.1345871 -0.1838248 -0.0000000), wk = 0.0020747 k( 335) = ( 0.1292036 -0.1764718 0.0000000), wk = 0.0020747 k( 336) = ( 0.1238202 -0.1691188 -0.0000000), wk = 0.0020747 k( 337) = ( 0.1184367 -0.1617658 -0.0000000), wk = 0.0020747 k( 338) = ( 0.1130532 -0.1544128 -0.0000000), wk = 0.0020747 k( 339) = ( 0.1076697 -0.1470598 0.0000000), wk = 0.0020747 k( 340) = ( 0.1022862 -0.1397068 -0.0000000), wk = 0.0020747 k( 341) = ( 0.0969027 -0.1323538 0.0000000), wk = 0.0020747 k( 342) = ( 0.0915192 -0.1250009 -0.0000000), wk = 0.0020747 k( 343) = ( 0.0861358 -0.1176479 0.0000000), wk = 0.0020747 k( 344) = ( 0.0807523 -0.1102949 0.0000000), wk = 0.0020747 k( 345) = ( 0.0753688 -0.1029419 -0.0000000), wk = 0.0020747 k( 346) = ( 0.0699853 -0.0955889 0.0000000), wk = 0.0020747 k( 347) = ( 0.0646018 -0.0882359 0.0000000), wk = 0.0020747 k( 348) = ( 0.0592183 -0.0808829 -0.0000000), wk = 0.0020747 k( 349) = ( 0.0538348 -0.0735299 0.0000000), wk = 0.0020747 k( 350) = ( 0.0484514 -0.0661769 -0.0000000), wk = 0.0020747 k( 351) = ( 0.0430679 -0.0588239 0.0000000), wk = 0.0020747 k( 352) = ( 0.0376844 -0.0514709 -0.0000000), wk = 0.0020747 k( 353) = ( 0.0323009 -0.0441179 0.0000000), wk = 0.0020747 k( 354) = ( 0.0269174 -0.0367650 0.0000000), wk = 0.0020747 k( 355) = ( 0.0215339 -0.0294120 0.0000000), wk = 0.0020747 k( 356) = ( 0.0161505 -0.0220590 -0.0000000), wk = 0.0020747 k( 357) = ( 0.0107670 -0.0147060 0.0000000), wk = 0.0020747 k( 358) = ( 0.0053835 -0.0073530 -0.0000000), wk = 0.0020747 k( 359) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 360) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 361) = ( 0.0086207 -0.0027314 -0.0008756), wk = 0.0020747 k( 362) = ( 0.0172414 -0.0054629 -0.0017513), wk = 0.0020747 k( 363) = ( 0.0258621 -0.0081943 -0.0026269), wk = 0.0020747 k( 364) = ( 0.0344828 -0.0109257 -0.0035025), wk = 0.0020747 k( 365) = ( 0.0431035 -0.0136572 -0.0043781), wk = 0.0020747 k( 366) = ( 0.0517241 -0.0163886 -0.0052538), wk = 0.0020747 k( 367) = ( 0.0603448 -0.0191201 -0.0061294), wk = 0.0020747 k( 368) = ( 0.0689655 -0.0218515 -0.0070050), wk = 0.0020747 k( 369) = ( 0.0775862 -0.0245829 -0.0078807), wk = 0.0020747 k( 370) = ( 0.0862069 -0.0273144 -0.0087563), wk = 0.0020747 k( 371) = ( 0.0948276 -0.0300458 -0.0096319), wk = 0.0020747 k( 372) = ( 0.1034483 -0.0327772 -0.0105075), wk = 0.0020747 k( 373) = ( 0.1120690 -0.0355087 -0.0113832), wk = 0.0020747 k( 374) = ( 0.1206897 -0.0382401 -0.0122588), wk = 0.0020747 k( 375) = ( 0.1293103 -0.0409715 -0.0131344), wk = 0.0020747 k( 376) = ( 0.1379310 -0.0437030 -0.0140101), wk = 0.0020747 k( 377) = ( 0.1465517 -0.0464344 -0.0148857), wk = 0.0020747 k( 378) = ( 0.1551724 -0.0491659 -0.0157613), wk = 0.0020747 k( 379) = ( 0.1637931 -0.0518973 -0.0166369), wk = 0.0020747 k( 380) = ( 0.1724138 -0.0546287 -0.0175126), wk = 0.0020747 k( 381) = ( 0.1810345 -0.0573602 -0.0183882), wk = 0.0020747 k( 382) = ( 0.1896552 -0.0600916 -0.0192638), wk = 0.0020747 k( 383) = ( 0.1982759 -0.0628230 -0.0201395), wk = 0.0020747 k( 384) = ( 0.2068966 -0.0655545 -0.0210151), wk = 0.0020747 k( 385) = ( 0.2155172 -0.0682859 -0.0218907), wk = 0.0020747 k( 386) = ( 0.2241379 -0.0710174 -0.0227664), wk = 0.0020747 k( 387) = ( 0.2327586 -0.0737488 -0.0236420), wk = 0.0020747 k( 388) = ( 0.2413793 -0.0764802 -0.0245176), wk = 0.0020747 k( 389) = ( 0.2500000 -0.0792117 -0.0253932), wk = 0.0020747 k( 390) = ( 0.2586207 -0.0819431 -0.0262689), wk = 0.0020747 k( 391) = ( 0.2672414 -0.0846745 -0.0271445), wk = 0.0020747 k( 392) = ( 0.2758621 -0.0874060 -0.0280201), wk = 0.0020747 k( 393) = ( 0.2844828 -0.0901374 -0.0288958), wk = 0.0020747 k( 394) = ( 0.2931034 -0.0928688 -0.0297714), wk = 0.0020747 k( 395) = ( 0.3017241 -0.0956003 -0.0306470), wk = 0.0020747 k( 396) = ( 0.3103448 -0.0983317 -0.0315226), wk = 0.0020747 k( 397) = ( 0.3189655 -0.1010632 -0.0323983), wk = 0.0020747 k( 398) = ( 0.3275862 -0.1037946 -0.0332739), wk = 0.0020747 k( 399) = ( 0.3362069 -0.1065260 -0.0341495), wk = 0.0020747 k( 400) = ( 0.3448276 -0.1092575 -0.0350252), wk = 0.0020747 k( 401) = ( 0.3534483 -0.1119889 -0.0359008), wk = 0.0020747 k( 402) = ( 0.3620690 -0.1147203 -0.0367764), wk = 0.0020747 k( 403) = ( 0.3706897 -0.1174518 -0.0376520), wk = 0.0020747 k( 404) = ( 0.3793103 -0.1201832 -0.0385277), wk = 0.0020747 k( 405) = ( 0.3879310 -0.1229147 -0.0394033), wk = 0.0020747 k( 406) = ( 0.3965517 -0.1256461 -0.0402789), wk = 0.0020747 k( 407) = ( 0.4051724 -0.1283775 -0.0411546), wk = 0.0020747 k( 408) = ( 0.4137931 -0.1311090 -0.0420302), wk = 0.0020747 k( 409) = ( 0.4224138 -0.1338404 -0.0429058), wk = 0.0020747 k( 410) = ( 0.4310345 -0.1365718 -0.0437814), wk = 0.0020747 k( 411) = ( 0.4396552 -0.1393033 -0.0446571), wk = 0.0020747 k( 412) = ( 0.4482759 -0.1420347 -0.0455327), wk = 0.0020747 k( 413) = ( 0.4568966 -0.1447661 -0.0464083), wk = 0.0020747 k( 414) = ( 0.4655172 -0.1474976 -0.0472840), wk = 0.0020747 k( 415) = ( 0.4741379 -0.1502290 -0.0481596), wk = 0.0020747 k( 416) = ( 0.4827586 -0.1529605 -0.0490352), wk = 0.0020747 k( 417) = ( 0.4913793 -0.1556919 -0.0499108), wk = 0.0020747 k( 418) = ( 0.5000000 -0.1584233 -0.0507865), wk = 0.0020747 k( 419) = ( 0.5000000 -0.1584233 0.2358618), wk = 0.0020747 k( 420) = ( 0.4920635 -0.1559087 0.2321180), wk = 0.0020747 k( 421) = ( 0.4841270 -0.1533940 0.2283741), wk = 0.0020747 k( 422) = ( 0.4761905 -0.1508794 0.2246303), wk = 0.0020747 k( 423) = ( 0.4682540 -0.1483647 0.2208864), wk = 0.0020747 k( 424) = ( 0.4603175 -0.1458500 0.2171426), wk = 0.0020747 k( 425) = ( 0.4523810 -0.1433354 0.2133988), wk = 0.0020747 k( 426) = ( 0.4444444 -0.1408207 0.2096549), wk = 0.0020747 k( 427) = ( 0.4365079 -0.1383061 0.2059111), wk = 0.0020747 k( 428) = ( 0.4285714 -0.1357914 0.2021673), wk = 0.0020747 k( 429) = ( 0.4206349 -0.1332768 0.1984234), wk = 0.0020747 k( 430) = ( 0.4126984 -0.1307621 0.1946796), wk = 0.0020747 k( 431) = ( 0.4047619 -0.1282475 0.1909357), wk = 0.0020747 k( 432) = ( 0.3968254 -0.1257328 0.1871919), wk = 0.0020747 k( 433) = ( 0.3888889 -0.1232181 0.1834481), wk = 0.0020747 k( 434) = ( 0.3809524 -0.1207035 0.1797042), wk = 0.0020747 k( 435) = ( 0.3730159 -0.1181888 0.1759604), wk = 0.0020747 k( 436) = ( 0.3650794 -0.1156742 0.1722165), wk = 0.0020747 k( 437) = ( 0.3571429 -0.1131595 0.1684727), wk = 0.0020747 k( 438) = ( 0.3492063 -0.1106449 0.1647289), wk = 0.0020747 k( 439) = ( 0.3412698 -0.1081302 0.1609850), wk = 0.0020747 k( 440) = ( 0.3333333 -0.1056156 0.1572412), wk = 0.0020747 k( 441) = ( 0.3253968 -0.1031009 0.1534974), wk = 0.0020747 k( 442) = ( 0.3174603 -0.1005862 0.1497535), wk = 0.0020747 k( 443) = ( 0.3095238 -0.0980716 0.1460097), wk = 0.0020747 k( 444) = ( 0.3015873 -0.0955569 0.1422658), wk = 0.0020747 k( 445) = ( 0.2936508 -0.0930423 0.1385220), wk = 0.0020747 k( 446) = ( 0.2857143 -0.0905276 0.1347782), wk = 0.0020747 k( 447) = ( 0.2777778 -0.0880130 0.1310343), wk = 0.0020747 k( 448) = ( 0.2698413 -0.0854983 0.1272905), wk = 0.0020747 k( 449) = ( 0.2619048 -0.0829836 0.1235467), wk = 0.0020747 k( 450) = ( 0.2539683 -0.0804690 0.1198028), wk = 0.0020747 k( 451) = ( 0.2460317 -0.0779543 0.1160590), wk = 0.0020747 k( 452) = ( 0.2380952 -0.0754397 0.1123151), wk = 0.0020747 k( 453) = ( 0.2301587 -0.0729250 0.1085713), wk = 0.0020747 k( 454) = ( 0.2222222 -0.0704104 0.1048275), wk = 0.0020747 k( 455) = ( 0.2142857 -0.0678957 0.1010836), wk = 0.0020747 k( 456) = ( 0.2063492 -0.0653811 0.0973398), wk = 0.0020747 k( 457) = ( 0.1984127 -0.0628664 0.0935959), wk = 0.0020747 k( 458) = ( 0.1904762 -0.0603517 0.0898521), wk = 0.0020747 k( 459) = ( 0.1825397 -0.0578371 0.0861083), wk = 0.0020747 k( 460) = ( 0.1746032 -0.0553224 0.0823644), wk = 0.0020747 k( 461) = ( 0.1666667 -0.0528078 0.0786206), wk = 0.0020747 k( 462) = ( 0.1587302 -0.0502931 0.0748768), wk = 0.0020747 k( 463) = ( 0.1507937 -0.0477785 0.0711329), wk = 0.0020747 k( 464) = ( 0.1428571 -0.0452638 0.0673891), wk = 0.0020747 k( 465) = ( 0.1349206 -0.0427492 0.0636452), wk = 0.0020747 k( 466) = ( 0.1269841 -0.0402345 0.0599014), wk = 0.0020747 k( 467) = ( 0.1190476 -0.0377198 0.0561576), wk = 0.0020747 k( 468) = ( 0.1111111 -0.0352052 0.0524137), wk = 0.0020747 k( 469) = ( 0.1031746 -0.0326905 0.0486699), wk = 0.0020747 k( 470) = ( 0.0952381 -0.0301759 0.0449261), wk = 0.0020747 k( 471) = ( 0.0873016 -0.0276612 0.0411822), wk = 0.0020747 k( 472) = ( 0.0793651 -0.0251466 0.0374384), wk = 0.0020747 k( 473) = ( 0.0714286 -0.0226319 0.0336945), wk = 0.0020747 k( 474) = ( 0.0634921 -0.0201172 0.0299507), wk = 0.0020747 k( 475) = ( 0.0555556 -0.0176026 0.0262069), wk = 0.0020747 k( 476) = ( 0.0476191 -0.0150879 0.0224630), wk = 0.0020747 k( 477) = ( 0.0396825 -0.0125733 0.0187192), wk = 0.0020747 k( 478) = ( 0.0317460 -0.0100586 0.0149754), wk = 0.0020747 k( 479) = ( 0.0238095 -0.0075440 0.0112315), wk = 0.0020747 k( 480) = ( 0.0158730 -0.0050293 0.0074877), wk = 0.0020747 k( 481) = ( 0.0079365 -0.0025147 0.0037438), wk = 0.0020747 k( 482) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 2) = ( 0.0073529 0.0073529 0.0000000), wk = 0.0020747 k( 3) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0020747 k( 4) = ( 0.0220588 0.0220588 0.0000000), wk = 0.0020747 k( 5) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0020747 k( 6) = ( 0.0367647 0.0367647 0.0000000), wk = 0.0020747 k( 7) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0020747 k( 8) = ( 0.0514706 0.0514706 -0.0000000), wk = 0.0020747 k( 9) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0020747 k( 10) = ( 0.0661765 0.0661765 -0.0000000), wk = 0.0020747 k( 11) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0020747 k( 12) = ( 0.0808824 0.0808824 0.0000000), wk = 0.0020747 k( 13) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0020747 k( 14) = ( 0.0955882 0.0955882 0.0000000), wk = 0.0020747 k( 15) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0020747 k( 16) = ( 0.1102941 0.1102941 -0.0000000), wk = 0.0020747 k( 17) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0020747 k( 18) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0020747 k( 19) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0020747 k( 20) = ( 0.1397059 0.1397059 0.0000000), wk = 0.0020747 k( 21) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0020747 k( 22) = ( 0.1544118 0.1544118 0.0000000), wk = 0.0020747 k( 23) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0020747 k( 24) = ( 0.1691177 0.1691177 0.0000000), wk = 0.0020747 k( 25) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0020747 k( 26) = ( 0.1838235 0.1838235 -0.0000000), wk = 0.0020747 k( 27) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0020747 k( 28) = ( 0.1985294 0.1985294 0.0000000), wk = 0.0020747 k( 29) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0020747 k( 30) = ( 0.2132353 0.2132353 0.0000000), wk = 0.0020747 k( 31) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0020747 k( 32) = ( 0.2279412 0.2279412 0.0000000), wk = 0.0020747 k( 33) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0020747 k( 34) = ( 0.2426471 0.2426471 0.0000000), wk = 0.0020747 k( 35) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0020747 k( 36) = ( 0.2573529 0.2573529 -0.0000000), wk = 0.0020747 k( 37) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0020747 k( 38) = ( 0.2720588 0.2720588 0.0000000), wk = 0.0020747 k( 39) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0020747 k( 40) = ( 0.2867647 0.2867647 -0.0000000), wk = 0.0020747 k( 41) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0020747 k( 42) = ( 0.3014706 0.3014706 -0.0000000), wk = 0.0020747 k( 43) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0020747 k( 44) = ( 0.3161765 0.3161765 0.0000000), wk = 0.0020747 k( 45) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0020747 k( 46) = ( 0.3308823 0.3308823 -0.0000000), wk = 0.0020747 k( 47) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0020747 k( 48) = ( 0.3455882 0.3455882 -0.0000000), wk = 0.0020747 k( 49) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0020747 k( 50) = ( 0.3602941 0.3602941 -0.0000000), wk = 0.0020747 k( 51) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0020747 k( 52) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0020747 k( 53) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0020747 k( 54) = ( 0.3897059 0.3897059 -0.0000000), wk = 0.0020747 k( 55) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0020747 k( 56) = ( 0.4044118 0.4044118 0.0000000), wk = 0.0020747 k( 57) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0020747 k( 58) = ( 0.4191177 0.4191177 0.0000000), wk = 0.0020747 k( 59) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0020747 k( 60) = ( 0.4338235 0.4338235 -0.0000000), wk = 0.0020747 k( 61) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0020747 k( 62) = ( 0.4485294 0.4485294 0.0000000), wk = 0.0020747 k( 63) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0020747 k( 64) = ( 0.4632353 0.4632353 -0.0000000), wk = 0.0020747 k( 65) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0020747 k( 66) = ( 0.4779412 0.4779412 0.0000000), wk = 0.0020747 k( 67) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0020747 k( 68) = ( 0.4926471 0.4926471 0.0000000), wk = 0.0020747 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020747 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020747 k( 71) = ( 0.5011656 0.5011656 0.0157857), wk = 0.0020747 k( 72) = ( 0.5023311 0.5023311 0.0315714), wk = 0.0020747 k( 73) = ( 0.5034967 0.5034967 0.0473571), wk = 0.0020747 k( 74) = ( 0.5046622 0.5046622 0.0631428), wk = 0.0020747 k( 75) = ( 0.5058278 0.5058278 0.0789285), wk = 0.0020747 k( 76) = ( 0.5069934 0.5069934 0.0947142), wk = 0.0020747 k( 77) = ( 0.5081589 0.5081589 0.1104999), wk = 0.0020747 k( 78) = ( 0.5093245 0.5093245 0.1262856), wk = 0.0020747 k( 79) = ( 0.5104900 0.5104900 0.1420713), wk = 0.0020747 k( 80) = ( 0.5116556 0.5116556 0.1578570), wk = 0.0020747 k( 81) = ( 0.5128211 0.5128212 0.1736427), wk = 0.0020747 k( 82) = ( 0.5139867 0.5139867 0.1894284), wk = 0.0020747 k( 83) = ( 0.5151523 0.5151523 0.2052141), wk = 0.0020747 k( 84) = ( 0.5163178 0.5163178 0.2209998), wk = 0.0020747 k( 85) = ( 0.5174834 0.5174834 0.2367855), wk = 0.0020747 k( 86) = ( 0.5186489 0.5186489 0.2525712), wk = 0.0020747 k( 87) = ( 0.5198145 0.5198145 0.2683569), wk = 0.0020747 k( 88) = ( 0.5209801 0.5209801 0.2841426), wk = 0.0020747 k( 89) = ( 0.5221456 0.5221456 0.2999284), wk = 0.0020747 k( 90) = ( 0.5233112 0.5233112 0.3157141), wk = 0.0020747 k( 91) = ( 0.5244767 0.5244767 0.3314997), wk = 0.0020747 k( 92) = ( 0.5244767 0.5244767 0.3314997), wk = 0.0020747 k( 93) = ( 0.5224370 0.5224370 0.3455414), wk = 0.0020747 k( 94) = ( 0.5203973 0.5203973 0.3595831), wk = 0.0020747 k( 95) = ( 0.5183575 0.5183576 0.3736248), wk = 0.0020747 k( 96) = ( 0.5163178 0.5163178 0.3876665), wk = 0.0020747 k( 97) = ( 0.5142781 0.5142781 0.4017082), wk = 0.0020747 k( 98) = ( 0.5122384 0.5122384 0.4157499), wk = 0.0020747 k( 99) = ( 0.5101986 0.5101986 0.4297916), wk = 0.0020747 k( 100) = ( 0.5081589 0.5081589 0.4438333), wk = 0.0020747 k( 101) = ( 0.5061192 0.5061192 0.4578749), wk = 0.0020747 k( 102) = ( 0.5040795 0.5040795 0.4719166), wk = 0.0020747 k( 103) = ( 0.5020397 0.5020397 0.4859583), wk = 0.0020747 k( 104) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020747 k( 105) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020747 k( 106) = ( 0.5053084 0.4946916 0.5000000), wk = 0.0020747 k( 107) = ( 0.5106168 0.4893832 0.5000000), wk = 0.0020747 k( 108) = ( 0.5159253 0.4840747 0.5000000), wk = 0.0020747 k( 109) = ( 0.5212337 0.4787663 0.5000000), wk = 0.0020747 k( 110) = ( 0.5265421 0.4734579 0.5000000), wk = 0.0020747 k( 111) = ( 0.5318505 0.4681495 0.5000000), wk = 0.0020747 k( 112) = ( 0.5371589 0.4628411 0.5000000), wk = 0.0020747 k( 113) = ( 0.5424673 0.4575327 0.5000000), wk = 0.0020747 k( 114) = ( 0.5477758 0.4522242 0.5000000), wk = 0.0020747 k( 115) = ( 0.5530842 0.4469158 0.5000000), wk = 0.0020747 k( 116) = ( 0.5583926 0.4416074 0.5000000), wk = 0.0020747 k( 117) = ( 0.5637010 0.4362990 0.5000000), wk = 0.0020747 k( 118) = ( 0.5690094 0.4309906 0.5000000), wk = 0.0020747 k( 119) = ( 0.5743179 0.4256822 0.5000000), wk = 0.0020747 k( 120) = ( 0.5796263 0.4203737 0.5000000), wk = 0.0020747 k( 121) = ( 0.5849347 0.4150653 0.5000000), wk = 0.0020747 k( 122) = ( 0.5902431 0.4097569 0.5000000), wk = 0.0020747 k( 123) = ( 0.5955515 0.4044485 0.5000000), wk = 0.0020747 k( 124) = ( 0.6008599 0.3991401 0.5000000), wk = 0.0020747 k( 125) = ( 0.6061684 0.3938316 0.5000000), wk = 0.0020747 k( 126) = ( 0.6114768 0.3885232 0.5000000), wk = 0.0020747 k( 127) = ( 0.6167852 0.3832148 0.5000000), wk = 0.0020747 k( 128) = ( 0.6220936 0.3779064 0.5000000), wk = 0.0020747 k( 129) = ( 0.6274020 0.3725980 0.5000000), wk = 0.0020747 k( 130) = ( 0.6327105 0.3672896 0.5000000), wk = 0.0020747 k( 131) = ( 0.3672896 -0.3672896 0.5000000), wk = 0.0020747 k( 132) = ( 0.3618882 -0.3618882 0.5000000), wk = 0.0020747 k( 133) = ( 0.3564869 -0.3564869 0.5000000), wk = 0.0020747 k( 134) = ( 0.3510856 -0.3510856 0.5000000), wk = 0.0020747 k( 135) = ( 0.3456843 -0.3456843 0.5000000), wk = 0.0020747 k( 136) = ( 0.3402830 -0.3402830 0.5000000), wk = 0.0020747 k( 137) = ( 0.3348816 -0.3348816 0.5000000), wk = 0.0020747 k( 138) = ( 0.3294803 -0.3294803 0.5000000), wk = 0.0020747 k( 139) = ( 0.3240790 -0.3240790 0.5000000), wk = 0.0020747 k( 140) = ( 0.3186777 -0.3186777 0.5000000), wk = 0.0020747 k( 141) = ( 0.3132764 -0.3132764 0.5000000), wk = 0.0020747 k( 142) = ( 0.3078751 -0.3078751 0.5000000), wk = 0.0020747 k( 143) = ( 0.3024737 -0.3024737 0.5000000), wk = 0.0020747 k( 144) = ( 0.2970724 -0.2970724 0.5000000), wk = 0.0020747 k( 145) = ( 0.2916711 -0.2916711 0.5000000), wk = 0.0020747 k( 146) = ( 0.2862698 -0.2862698 0.5000000), wk = 0.0020747 k( 147) = ( 0.2808685 -0.2808685 0.5000000), wk = 0.0020747 k( 148) = ( 0.2754672 -0.2754672 0.5000000), wk = 0.0020747 k( 149) = ( 0.2700658 -0.2700658 0.5000000), wk = 0.0020747 k( 150) = ( 0.2646645 -0.2646645 0.5000000), wk = 0.0020747 k( 151) = ( 0.2592632 -0.2592632 0.5000000), wk = 0.0020747 k( 152) = ( 0.2538619 -0.2538619 0.5000000), wk = 0.0020747 k( 153) = ( 0.2484606 -0.2484606 0.5000000), wk = 0.0020747 k( 154) = ( 0.2430593 -0.2430593 0.5000000), wk = 0.0020747 k( 155) = ( 0.2376580 -0.2376580 0.5000000), wk = 0.0020747 k( 156) = ( 0.2322566 -0.2322566 0.5000000), wk = 0.0020747 k( 157) = ( 0.2268553 -0.2268553 0.5000000), wk = 0.0020747 k( 158) = ( 0.2214540 -0.2214540 0.5000000), wk = 0.0020747 k( 159) = ( 0.2160527 -0.2160527 0.5000000), wk = 0.0020747 k( 160) = ( 0.2106514 -0.2106514 0.5000000), wk = 0.0020747 k( 161) = ( 0.2052500 -0.2052500 0.5000000), wk = 0.0020747 k( 162) = ( 0.1998487 -0.1998487 0.5000000), wk = 0.0020747 k( 163) = ( 0.1944474 -0.1944474 0.5000000), wk = 0.0020747 k( 164) = ( 0.1890461 -0.1890461 0.5000000), wk = 0.0020747 k( 165) = ( 0.1836448 -0.1836448 0.5000000), wk = 0.0020747 k( 166) = ( 0.1782435 -0.1782435 0.5000000), wk = 0.0020747 k( 167) = ( 0.1728421 -0.1728421 0.5000000), wk = 0.0020747 k( 168) = ( 0.1674408 -0.1674408 0.5000000), wk = 0.0020747 k( 169) = ( 0.1620395 -0.1620395 0.5000000), wk = 0.0020747 k( 170) = ( 0.1566382 -0.1566382 0.5000000), wk = 0.0020747 k( 171) = ( 0.1512369 -0.1512369 0.5000000), wk = 0.0020747 k( 172) = ( 0.1458356 -0.1458356 0.5000000), wk = 0.0020747 k( 173) = ( 0.1404342 -0.1404342 0.5000000), wk = 0.0020747 k( 174) = ( 0.1350329 -0.1350329 0.5000000), wk = 0.0020747 k( 175) = ( 0.1296316 -0.1296316 0.5000000), wk = 0.0020747 k( 176) = ( 0.1242303 -0.1242303 0.5000000), wk = 0.0020747 k( 177) = ( 0.1188290 -0.1188290 0.5000000), wk = 0.0020747 k( 178) = ( 0.1134277 -0.1134277 0.5000000), wk = 0.0020747 k( 179) = ( 0.1080263 -0.1080263 0.5000000), wk = 0.0020747 k( 180) = ( 0.1026250 -0.1026250 0.5000000), wk = 0.0020747 k( 181) = ( 0.0972237 -0.0972237 0.5000000), wk = 0.0020747 k( 182) = ( 0.0918224 -0.0918224 0.5000000), wk = 0.0020747 k( 183) = ( 0.0864211 -0.0864211 0.5000000), wk = 0.0020747 k( 184) = ( 0.0810198 -0.0810198 0.5000000), wk = 0.0020747 k( 185) = ( 0.0756184 -0.0756184 0.5000000), wk = 0.0020747 k( 186) = ( 0.0702171 -0.0702171 0.5000000), wk = 0.0020747 k( 187) = ( 0.0648158 -0.0648158 0.5000000), wk = 0.0020747 k( 188) = ( 0.0594145 -0.0594145 0.5000000), wk = 0.0020747 k( 189) = ( 0.0540132 -0.0540132 0.5000000), wk = 0.0020747 k( 190) = ( 0.0486118 -0.0486118 0.5000000), wk = 0.0020747 k( 191) = ( 0.0432105 -0.0432105 0.5000000), wk = 0.0020747 k( 192) = ( 0.0378092 -0.0378092 0.5000000), wk = 0.0020747 k( 193) = ( 0.0324079 -0.0324079 0.5000000), wk = 0.0020747 k( 194) = ( 0.0270066 -0.0270066 0.5000000), wk = 0.0020747 k( 195) = ( 0.0216053 -0.0216053 0.5000000), wk = 0.0020747 k( 196) = ( 0.0162040 -0.0162040 0.5000000), wk = 0.0020747 k( 197) = ( 0.0108026 -0.0108026 0.5000000), wk = 0.0020747 k( 198) = ( 0.0054013 -0.0054013 0.5000000), wk = 0.0020747 k( 199) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 201) = ( 0.0074300 0.0074300 0.5026328), wk = 0.0020747 k( 202) = ( 0.0148601 0.0148601 0.5052656), wk = 0.0020747 k( 203) = ( 0.0222902 0.0222902 0.5078985), wk = 0.0020747 k( 204) = ( 0.0297202 0.0297202 0.5105313), wk = 0.0020747 k( 205) = ( 0.0371503 0.0371503 0.5131641), wk = 0.0020747 k( 206) = ( 0.0445803 0.0445803 0.5157969), wk = 0.0020747 k( 207) = ( 0.0520104 0.0520104 0.5184297), wk = 0.0020747 k( 208) = ( 0.0594404 0.0594404 0.5210625), wk = 0.0020747 k( 209) = ( 0.0668705 0.0668705 0.5236954), wk = 0.0020747 k( 210) = ( 0.0743005 0.0743005 0.5263282), wk = 0.0020747 k( 211) = ( 0.0817306 0.0817306 0.5289610), wk = 0.0020747 k( 212) = ( 0.0891606 0.0891606 0.5315938), wk = 0.0020747 k( 213) = ( 0.0965907 0.0965907 0.5342266), wk = 0.0020747 k( 214) = ( 0.1040207 0.1040207 0.5368594), wk = 0.0020747 k( 215) = ( 0.1114508 0.1114508 0.5394923), wk = 0.0020747 k( 216) = ( 0.1188808 0.1188808 0.5421251), wk = 0.0020747 k( 217) = ( 0.1263109 0.1263109 0.5447579), wk = 0.0020747 k( 218) = ( 0.1337409 0.1337409 0.5473907), wk = 0.0020747 k( 219) = ( 0.1411710 0.1411710 0.5500235), wk = 0.0020747 k( 220) = ( 0.1486010 0.1486010 0.5526563), wk = 0.0020747 k( 221) = ( 0.1560311 0.1560311 0.5552891), wk = 0.0020747 k( 222) = ( 0.1634611 0.1634611 0.5579220), wk = 0.0020747 k( 223) = ( 0.1708912 0.1708912 0.5605548), wk = 0.0020747 k( 224) = ( 0.1783212 0.1783212 0.5631876), wk = 0.0020747 k( 225) = ( 0.1857513 0.1857513 0.5658204), wk = 0.0020747 k( 226) = ( 0.1931813 0.1931813 0.5684532), wk = 0.0020747 k( 227) = ( 0.2006114 0.2006114 0.5710860), wk = 0.0020747 k( 228) = ( 0.2080414 0.2080414 0.5737189), wk = 0.0020747 k( 229) = ( 0.2154715 0.2154715 0.5763517), wk = 0.0020747 k( 230) = ( 0.2229015 0.2229015 0.5789845), wk = 0.0020747 k( 231) = ( 0.2303316 0.2303316 0.5816173), wk = 0.0020747 k( 232) = ( 0.2377616 0.2377616 0.5842501), wk = 0.0020747 k( 233) = ( 0.2451917 0.2451917 0.5868829), wk = 0.0020747 k( 234) = ( 0.2526217 0.2526217 0.5895158), wk = 0.0020747 k( 235) = ( 0.2600518 0.2600518 0.5921486), wk = 0.0020747 k( 236) = ( 0.2674818 0.2674818 0.5947814), wk = 0.0020747 k( 237) = ( 0.2749119 0.2749119 0.5974142), wk = 0.0020747 k( 238) = ( 0.2823419 0.2823419 0.6000470), wk = 0.0020747 k( 239) = ( 0.2897720 0.2897720 0.6026798), wk = 0.0020747 k( 240) = ( 0.2972020 0.2972020 0.6053127), wk = 0.0020747 k( 241) = ( 0.3046321 0.3046321 0.6079455), wk = 0.0020747 k( 242) = ( 0.3120621 0.3120621 0.6105783), wk = 0.0020747 k( 243) = ( 0.3194922 0.3194922 0.6132111), wk = 0.0020747 k( 244) = ( 0.3269223 0.3269223 0.6158439), wk = 0.0020747 k( 245) = ( 0.3343523 0.3343523 0.6184767), wk = 0.0020747 k( 246) = ( 0.3417824 0.3417823 0.6211096), wk = 0.0020747 k( 247) = ( 0.3492124 0.3492124 0.6237424), wk = 0.0020747 k( 248) = ( 0.3566424 0.3566425 0.6263752), wk = 0.0020747 k( 249) = ( 0.3640725 0.3640725 0.6290080), wk = 0.0020747 k( 250) = ( 0.3715025 0.3715025 0.6316408), wk = 0.0020747 k( 251) = ( 0.3789326 0.3789326 0.6342736), wk = 0.0020747 k( 252) = ( 0.3863626 0.3863627 0.6369065), wk = 0.0020747 k( 253) = ( 0.3937927 0.3937927 0.6395393), wk = 0.0020747 k( 254) = ( 0.4012228 0.4012228 0.6421721), wk = 0.0020747 k( 255) = ( 0.4086528 0.4086528 0.6448049), wk = 0.0020747 k( 256) = ( 0.4160829 0.4160829 0.6474377), wk = 0.0020747 k( 257) = ( 0.4235129 0.4235129 0.6500705), wk = 0.0020747 k( 258) = ( 0.4309430 0.4309430 0.6527034), wk = 0.0020747 k( 259) = ( 0.4383730 0.4383730 0.6553362), wk = 0.0020747 k( 260) = ( 0.4458031 0.4458031 0.6579690), wk = 0.0020747 k( 261) = ( 0.4532331 0.4532331 0.6606018), wk = 0.0020747 k( 262) = ( 0.4606632 0.4606632 0.6632346), wk = 0.0020747 k( 263) = ( 0.4680932 0.4680932 0.6658674), wk = 0.0020747 k( 264) = ( 0.4755233 0.4755233 0.6685003), wk = 0.0020747 k( 265) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020747 k( 266) = ( 0.5053519 0.4946481 -0.0000000), wk = 0.0020747 k( 267) = ( 0.5107037 0.4892963 0.0000000), wk = 0.0020747 k( 268) = ( 0.5160556 0.4839444 0.0000000), wk = 0.0020747 k( 269) = ( 0.5214074 0.4785926 0.0000000), wk = 0.0020747 k( 270) = ( 0.5267593 0.4732407 -0.0000000), wk = 0.0020747 k( 271) = ( 0.5321112 0.4678888 -0.0000000), wk = 0.0020747 k( 272) = ( 0.5374630 0.4625370 -0.0000000), wk = 0.0020747 k( 273) = ( 0.5428149 0.4571851 -0.0000000), wk = 0.0020747 k( 274) = ( 0.5481667 0.4518333 -0.0000000), wk = 0.0020747 k( 275) = ( 0.5535186 0.4464814 0.0000000), wk = 0.0020747 k( 276) = ( 0.5588705 0.4411295 0.0000000), wk = 0.0020747 k( 277) = ( 0.5642223 0.4357777 0.0000000), wk = 0.0020747 k( 278) = ( 0.5695742 0.4304258 -0.0000000), wk = 0.0020747 k( 279) = ( 0.5749260 0.4250740 -0.0000000), wk = 0.0020747 k( 280) = ( 0.5802779 0.4197221 -0.0000000), wk = 0.0020747 k( 281) = ( 0.5856298 0.4143702 -0.0000000), wk = 0.0020747 k( 282) = ( 0.5909816 0.4090184 -0.0000000), wk = 0.0020747 k( 283) = ( 0.5963335 0.4036665 0.0000000), wk = 0.0020747 k( 284) = ( 0.6016854 0.3983147 0.0000000), wk = 0.0020747 k( 285) = ( 0.6070372 0.3929628 -0.0000000), wk = 0.0020747 k( 286) = ( 0.6123891 0.3876109 -0.0000000), wk = 0.0020747 k( 287) = ( 0.3876109 -0.3876109 0.0000000), wk = 0.0020747 k( 288) = ( 0.3822275 -0.3822275 -0.0000000), wk = 0.0020747 k( 289) = ( 0.3768440 -0.3768440 -0.0000000), wk = 0.0020747 k( 290) = ( 0.3714605 -0.3714605 -0.0000000), wk = 0.0020747 k( 291) = ( 0.3660770 -0.3660770 -0.0000000), wk = 0.0020747 k( 292) = ( 0.3606935 -0.3606935 0.0000000), wk = 0.0020747 k( 293) = ( 0.3553100 -0.3553100 0.0000000), wk = 0.0020747 k( 294) = ( 0.3499265 -0.3499265 -0.0000000), wk = 0.0020747 k( 295) = ( 0.3445431 -0.3445431 0.0000000), wk = 0.0020747 k( 296) = ( 0.3391596 -0.3391596 -0.0000000), wk = 0.0020747 k( 297) = ( 0.3337761 -0.3337761 -0.0000000), wk = 0.0020747 k( 298) = ( 0.3283926 -0.3283926 0.0000000), wk = 0.0020747 k( 299) = ( 0.3230091 -0.3230091 0.0000000), wk = 0.0020747 k( 300) = ( 0.3176256 -0.3176256 -0.0000000), wk = 0.0020747 k( 301) = ( 0.3122421 -0.3122421 -0.0000000), wk = 0.0020747 k( 302) = ( 0.3068587 -0.3068587 0.0000000), wk = 0.0020747 k( 303) = ( 0.3014752 -0.3014752 -0.0000000), wk = 0.0020747 k( 304) = ( 0.2960917 -0.2960917 0.0000000), wk = 0.0020747 k( 305) = ( 0.2907082 -0.2907082 -0.0000000), wk = 0.0020747 k( 306) = ( 0.2853247 -0.2853247 -0.0000000), wk = 0.0020747 k( 307) = ( 0.2799412 -0.2799412 0.0000000), wk = 0.0020747 k( 308) = ( 0.2745577 -0.2745577 -0.0000000), wk = 0.0020747 k( 309) = ( 0.2691743 -0.2691743 -0.0000000), wk = 0.0020747 k( 310) = ( 0.2637908 -0.2637908 -0.0000000), wk = 0.0020747 k( 311) = ( 0.2584073 -0.2584073 0.0000000), wk = 0.0020747 k( 312) = ( 0.2530238 -0.2530238 -0.0000000), wk = 0.0020747 k( 313) = ( 0.2476403 -0.2476403 0.0000000), wk = 0.0020747 k( 314) = ( 0.2422568 -0.2422568 0.0000000), wk = 0.0020747 k( 315) = ( 0.2368734 -0.2368733 0.0000000), wk = 0.0020747 k( 316) = ( 0.2314899 -0.2314899 0.0000000), wk = 0.0020747 k( 317) = ( 0.2261064 -0.2261064 0.0000000), wk = 0.0020747 k( 318) = ( 0.2207229 -0.2207229 -0.0000000), wk = 0.0020747 k( 319) = ( 0.2153394 -0.2153394 0.0000000), wk = 0.0020747 k( 320) = ( 0.2099559 -0.2099559 0.0000000), wk = 0.0020747 k( 321) = ( 0.2045724 -0.2045724 -0.0000000), wk = 0.0020747 k( 322) = ( 0.1991890 -0.1991890 -0.0000000), wk = 0.0020747 k( 323) = ( 0.1938055 -0.1938055 -0.0000000), wk = 0.0020747 k( 324) = ( 0.1884220 -0.1884220 -0.0000000), wk = 0.0020747 k( 325) = ( 0.1830385 -0.1830385 0.0000000), wk = 0.0020747 k( 326) = ( 0.1776550 -0.1776550 0.0000000), wk = 0.0020747 k( 327) = ( 0.1722715 -0.1722715 -0.0000000), wk = 0.0020747 k( 328) = ( 0.1668880 -0.1668880 -0.0000000), wk = 0.0020747 k( 329) = ( 0.1615046 -0.1615046 0.0000000), wk = 0.0020747 k( 330) = ( 0.1561211 -0.1561211 -0.0000000), wk = 0.0020747 k( 331) = ( 0.1507376 -0.1507376 -0.0000000), wk = 0.0020747 k( 332) = ( 0.1453541 -0.1453541 -0.0000000), wk = 0.0020747 k( 333) = ( 0.1399706 -0.1399706 0.0000000), wk = 0.0020747 k( 334) = ( 0.1345871 -0.1345871 -0.0000000), wk = 0.0020747 k( 335) = ( 0.1292036 -0.1292036 0.0000000), wk = 0.0020747 k( 336) = ( 0.1238202 -0.1238202 0.0000000), wk = 0.0020747 k( 337) = ( 0.1184367 -0.1184367 -0.0000000), wk = 0.0020747 k( 338) = ( 0.1130532 -0.1130532 0.0000000), wk = 0.0020747 k( 339) = ( 0.1076697 -0.1076697 -0.0000000), wk = 0.0020747 k( 340) = ( 0.1022862 -0.1022862 -0.0000000), wk = 0.0020747 k( 341) = ( 0.0969027 -0.0969027 0.0000000), wk = 0.0020747 k( 342) = ( 0.0915192 -0.0915192 0.0000000), wk = 0.0020747 k( 343) = ( 0.0861358 -0.0861358 -0.0000000), wk = 0.0020747 k( 344) = ( 0.0807523 -0.0807523 0.0000000), wk = 0.0020747 k( 345) = ( 0.0753688 -0.0753688 -0.0000000), wk = 0.0020747 k( 346) = ( 0.0699853 -0.0699853 0.0000000), wk = 0.0020747 k( 347) = ( 0.0646018 -0.0646018 0.0000000), wk = 0.0020747 k( 348) = ( 0.0592183 -0.0592183 -0.0000000), wk = 0.0020747 k( 349) = ( 0.0538348 -0.0538349 -0.0000000), wk = 0.0020747 k( 350) = ( 0.0484514 -0.0484514 -0.0000000), wk = 0.0020747 k( 351) = ( 0.0430679 -0.0430679 -0.0000000), wk = 0.0020747 k( 352) = ( 0.0376844 -0.0376844 -0.0000000), wk = 0.0020747 k( 353) = ( 0.0323009 -0.0323009 0.0000000), wk = 0.0020747 k( 354) = ( 0.0269174 -0.0269174 0.0000000), wk = 0.0020747 k( 355) = ( 0.0215339 -0.0215339 -0.0000000), wk = 0.0020747 k( 356) = ( 0.0161505 -0.0161505 0.0000000), wk = 0.0020747 k( 357) = ( 0.0107670 -0.0107670 -0.0000000), wk = 0.0020747 k( 358) = ( 0.0053835 -0.0053835 -0.0000000), wk = 0.0020747 k( 359) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 360) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 361) = ( 0.0086207 0.0000000 0.0000000), wk = 0.0020747 k( 362) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0020747 k( 363) = ( 0.0258621 -0.0000000 -0.0000000), wk = 0.0020747 k( 364) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0020747 k( 365) = ( 0.0431035 0.0000000 -0.0000000), wk = 0.0020747 k( 366) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0020747 k( 367) = ( 0.0603448 0.0000000 -0.0000000), wk = 0.0020747 k( 368) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0020747 k( 369) = ( 0.0775862 0.0000000 -0.0000000), wk = 0.0020747 k( 370) = ( 0.0862069 0.0000000 -0.0000000), wk = 0.0020747 k( 371) = ( 0.0948276 0.0000000 0.0000000), wk = 0.0020747 k( 372) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0020747 k( 373) = ( 0.1120690 0.0000000 0.0000000), wk = 0.0020747 k( 374) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0020747 k( 375) = ( 0.1293103 -0.0000000 0.0000000), wk = 0.0020747 k( 376) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0020747 k( 377) = ( 0.1465517 0.0000000 -0.0000000), wk = 0.0020747 k( 378) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0020747 k( 379) = ( 0.1637931 0.0000000 0.0000000), wk = 0.0020747 k( 380) = ( 0.1724138 0.0000000 -0.0000000), wk = 0.0020747 k( 381) = ( 0.1810345 0.0000000 0.0000000), wk = 0.0020747 k( 382) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0020747 k( 383) = ( 0.1982759 0.0000000 0.0000000), wk = 0.0020747 k( 384) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0020747 k( 385) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0020747 k( 386) = ( 0.2241379 0.0000000 -0.0000000), wk = 0.0020747 k( 387) = ( 0.2327586 0.0000000 -0.0000000), wk = 0.0020747 k( 388) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0020747 k( 389) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0020747 k( 390) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0020747 k( 391) = ( 0.2672414 0.0000000 -0.0000000), wk = 0.0020747 k( 392) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0020747 k( 393) = ( 0.2844828 -0.0000000 0.0000000), wk = 0.0020747 k( 394) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0020747 k( 395) = ( 0.3017241 0.0000000 -0.0000000), wk = 0.0020747 k( 396) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0020747 k( 397) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0020747 k( 398) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0020747 k( 399) = ( 0.3362069 0.0000000 -0.0000000), wk = 0.0020747 k( 400) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0020747 k( 401) = ( 0.3534483 0.0000000 -0.0000000), wk = 0.0020747 k( 402) = ( 0.3620690 0.0000000 0.0000000), wk = 0.0020747 k( 403) = ( 0.3706897 0.0000000 -0.0000000), wk = 0.0020747 k( 404) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0020747 k( 405) = ( 0.3879310 0.0000000 0.0000000), wk = 0.0020747 k( 406) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0020747 k( 407) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0020747 k( 408) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0020747 k( 409) = ( 0.4224138 0.0000000 0.0000000), wk = 0.0020747 k( 410) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0020747 k( 411) = ( 0.4396552 0.0000000 -0.0000000), wk = 0.0020747 k( 412) = ( 0.4482759 0.0000000 -0.0000000), wk = 0.0020747 k( 413) = ( 0.4568966 0.0000000 -0.0000000), wk = 0.0020747 k( 414) = ( 0.4655172 0.0000000 -0.0000000), wk = 0.0020747 k( 415) = ( 0.4741379 0.0000000 0.0000000), wk = 0.0020747 k( 416) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0020747 k( 417) = ( 0.4913793 -0.0000000 -0.0000000), wk = 0.0020747 k( 418) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020747 k( 419) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020747 k( 420) = ( 0.4920635 0.0000000 0.4920635), wk = 0.0020747 k( 421) = ( 0.4841270 0.0000000 0.4841270), wk = 0.0020747 k( 422) = ( 0.4761905 -0.0000000 0.4761905), wk = 0.0020747 k( 423) = ( 0.4682540 -0.0000000 0.4682540), wk = 0.0020747 k( 424) = ( 0.4603175 0.0000000 0.4603175), wk = 0.0020747 k( 425) = ( 0.4523810 0.0000000 0.4523810), wk = 0.0020747 k( 426) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0020747 k( 427) = ( 0.4365079 0.0000000 0.4365079), wk = 0.0020747 k( 428) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0020747 k( 429) = ( 0.4206349 -0.0000000 0.4206349), wk = 0.0020747 k( 430) = ( 0.4126984 -0.0000000 0.4126984), wk = 0.0020747 k( 431) = ( 0.4047619 0.0000000 0.4047619), wk = 0.0020747 k( 432) = ( 0.3968254 0.0000000 0.3968254), wk = 0.0020747 k( 433) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0020747 k( 434) = ( 0.3809524 0.0000000 0.3809524), wk = 0.0020747 k( 435) = ( 0.3730159 0.0000000 0.3730159), wk = 0.0020747 k( 436) = ( 0.3650794 0.0000000 0.3650794), wk = 0.0020747 k( 437) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0020747 k( 438) = ( 0.3492063 0.0000000 0.3492063), wk = 0.0020747 k( 439) = ( 0.3412698 0.0000000 0.3412698), wk = 0.0020747 k( 440) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0020747 k( 441) = ( 0.3253968 0.0000000 0.3253968), wk = 0.0020747 k( 442) = ( 0.3174603 0.0000000 0.3174603), wk = 0.0020747 k( 443) = ( 0.3095238 0.0000000 0.3095238), wk = 0.0020747 k( 444) = ( 0.3015873 0.0000000 0.3015873), wk = 0.0020747 k( 445) = ( 0.2936508 0.0000000 0.2936508), wk = 0.0020747 k( 446) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0020747 k( 447) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0020747 k( 448) = ( 0.2698413 0.0000000 0.2698413), wk = 0.0020747 k( 449) = ( 0.2619048 0.0000000 0.2619048), wk = 0.0020747 k( 450) = ( 0.2539683 0.0000000 0.2539683), wk = 0.0020747 k( 451) = ( 0.2460317 0.0000000 0.2460317), wk = 0.0020747 k( 452) = ( 0.2380952 -0.0000000 0.2380952), wk = 0.0020747 k( 453) = ( 0.2301587 0.0000000 0.2301587), wk = 0.0020747 k( 454) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0020747 k( 455) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0020747 k( 456) = ( 0.2063492 0.0000000 0.2063492), wk = 0.0020747 k( 457) = ( 0.1984127 0.0000000 0.1984127), wk = 0.0020747 k( 458) = ( 0.1904762 0.0000000 0.1904762), wk = 0.0020747 k( 459) = ( 0.1825397 0.0000000 0.1825397), wk = 0.0020747 k( 460) = ( 0.1746032 0.0000000 0.1746032), wk = 0.0020747 k( 461) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0020747 k( 462) = ( 0.1587302 0.0000000 0.1587302), wk = 0.0020747 k( 463) = ( 0.1507937 0.0000000 0.1507936), wk = 0.0020747 k( 464) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0020747 k( 465) = ( 0.1349206 0.0000000 0.1349206), wk = 0.0020747 k( 466) = ( 0.1269841 0.0000000 0.1269841), wk = 0.0020747 k( 467) = ( 0.1190476 -0.0000000 0.1190476), wk = 0.0020747 k( 468) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0020747 k( 469) = ( 0.1031746 0.0000000 0.1031746), wk = 0.0020747 k( 470) = ( 0.0952381 0.0000000 0.0952381), wk = 0.0020747 k( 471) = ( 0.0873016 0.0000000 0.0873016), wk = 0.0020747 k( 472) = ( 0.0793651 0.0000000 0.0793651), wk = 0.0020747 k( 473) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0020747 k( 474) = ( 0.0634921 0.0000000 0.0634921), wk = 0.0020747 k( 475) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0020747 k( 476) = ( 0.0476191 0.0000000 0.0476190), wk = 0.0020747 k( 477) = ( 0.0396825 0.0000000 0.0396825), wk = 0.0020747 k( 478) = ( 0.0317460 0.0000000 0.0317460), wk = 0.0020747 k( 479) = ( 0.0238095 0.0000000 0.0238095), wk = 0.0020747 k( 480) = ( 0.0158730 -0.0000000 0.0158730), wk = 0.0020747 k( 481) = ( 0.0079365 -0.0000000 0.0079365), wk = 0.0020747 k( 482) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 Dense grid: 27003 G-vectors FFT dimensions: ( 32, 32, 60) Smooth grid: 11905 G-vectors FFT dimensions: ( 24, 24, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 100, 42) NL pseudopotentials 0.07 Mb ( 50, 96) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.01 Mb ( 750) G-vector shells 0.01 Mb ( 664) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 100, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CuO.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.6 secs Computing kpt #: 19 total cpu time spent up to now is 4.7 secs Computing kpt #: 20 total cpu time spent up to now is 4.9 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.3 secs Computing kpt #: 24 total cpu time spent up to now is 5.5 secs Computing kpt #: 25 total cpu time spent up to now is 5.6 secs Computing kpt #: 26 total cpu time spent up to now is 5.8 secs Computing kpt #: 27 total cpu time spent up to now is 5.9 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.2 secs Computing kpt #: 30 total cpu time spent up 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Computing kpt #: 155 total cpu time spent up to now is 31.5 secs Computing kpt #: 156 total cpu time spent up to now is 31.8 secs Computing kpt #: 157 total cpu time spent up to now is 32.3 secs Computing kpt #: 158 total cpu time spent up to now is 32.4 secs Computing kpt #: 159 total cpu time spent up to now is 32.8 secs Computing kpt #: 160 total cpu time spent up to now is 33.1 secs Computing kpt #: 161 total cpu time spent up to now is 33.5 secs Computing kpt #: 162 total cpu time spent up to now is 33.9 secs Computing kpt #: 163 total cpu time spent up to now is 34.3 secs Computing kpt #: 164 total cpu time spent up to now is 34.6 secs Computing kpt #: 165 total cpu time spent up to now is 34.9 secs Computing kpt #: 166 total cpu time spent up to now is 35.3 secs Computing kpt #: 167 total cpu time spent up to now is 35.6 secs Computing kpt #: 168 total cpu time spent up to now is 36.0 secs Computing kpt #: 169 total cpu time spent up to now is 36.1 secs Computing kpt #: 170 total cpu time spent up to now is 36.5 secs Computing kpt #: 171 total cpu time spent up to now is 37.0 secs Computing kpt #: 172 total cpu time spent up to now is 37.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 38.2 secs Computing kpt #: 174 total cpu time spent up to now is 38.5 secs Computing kpt #: 175 total cpu time spent up to now is 38.7 secs Computing kpt #: 176 total cpu time spent up to now is 38.9 secs Computing kpt #: 177 total cpu time spent up to now is 39.2 secs Computing kpt #: 178 total cpu time spent up to now is 39.3 secs Computing kpt #: 179 total cpu time spent up to now is 39.5 secs Computing kpt #: 180 total cpu time spent up to now is 39.9 secs Computing kpt #: 181 total cpu time spent up to now is 40.2 secs Computing kpt #: 182 total cpu time spent up to now is 40.8 secs Computing kpt #: 183 total cpu time spent up to now is 41.2 secs Computing kpt #: 184 total cpu time spent up to now is 41.5 secs Computing 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to now is 64.4 secs Computing kpt #: 293 total cpu time spent up to now is 64.6 secs Computing kpt #: 294 total cpu time spent up to now is 64.7 secs Computing kpt #: 295 total cpu time spent up to now is 64.9 secs Computing kpt #: 296 total cpu time spent up to now is 65.1 secs Computing kpt #: 297 total cpu time spent up to now is 65.2 secs Computing kpt #: 298 total cpu time spent up to now is 65.4 secs Computing kpt #: 299 total cpu time spent up to now is 65.5 secs Computing kpt #: 300 total cpu time spent up to now is 65.7 secs Computing kpt #: 301 total cpu time spent up to now is 65.9 secs Computing kpt #: 302 total cpu time spent up to now is 66.0 secs Computing kpt #: 303 total cpu time spent up to now is 66.2 secs Computing kpt #: 304 total cpu time spent up to now is 66.4 secs Computing kpt #: 305 total cpu time spent up to now is 66.5 secs Computing kpt #: 306 total cpu time spent up to now is 66.7 secs Computing kpt #: 307 total cpu time spent up to now is 66.9 secs Computing kpt #: 308 total cpu time spent up to now is 67.1 secs Computing kpt #: 309 total cpu time spent up to now is 67.3 secs Computing kpt #: 310 total cpu time spent up to now is 67.5 secs Computing kpt #: 311 total cpu time spent up to now is 67.7 secs Computing kpt #: 312 total cpu time spent up to now is 68.0 secs Computing kpt #: 313 total cpu time spent up to now is 68.2 secs Computing kpt #: 314 total cpu time spent up to now is 68.4 secs Computing kpt #: 315 total cpu time spent up to now is 68.7 secs Computing kpt #: 316 total cpu time spent up to now is 69.0 secs Computing kpt #: 317 total cpu time spent up to now is 69.3 secs Computing kpt #: 318 total cpu time spent up to now is 69.5 secs Computing kpt #: 319 total cpu time spent up to now is 69.7 secs Computing kpt #: 320 total cpu time spent up to now is 69.9 secs Computing kpt #: 321 total cpu time spent up to now is 70.0 secs Computing kpt #: 322 total cpu time spent up to now is 70.2 secs Computing kpt #: 323 total cpu time spent up to now is 70.4 secs Computing kpt #: 324 total cpu time spent up to now is 70.5 secs Computing kpt #: 325 total cpu time spent up to now is 70.7 secs Computing kpt #: 326 total cpu time spent up to now is 70.8 secs Computing kpt #: 327 total cpu time spent up to now is 71.0 secs Computing kpt #: 328 total cpu time spent up to now is 71.2 secs Computing kpt #: 329 total cpu time spent up to now is 71.3 secs Computing kpt #: 330 total cpu time spent up to now is 71.5 secs Computing kpt #: 331 total cpu time spent up to now is 71.6 secs Computing kpt #: 332 total cpu time spent up to now is 71.8 secs Computing kpt #: 333 total cpu time spent up to now is 71.9 secs Computing kpt #: 334 total cpu time spent up to now is 72.1 secs Computing kpt #: 335 total cpu time spent up to now is 72.2 secs Computing kpt #: 336 total cpu time spent up to now is 72.4 secs Computing kpt #: 337 total cpu time spent up to now is 72.5 secs Computing kpt #: 338 total cpu time spent up to now is 72.7 secs Computing kpt #: 339 total cpu time spent up to now is 72.8 secs Computing kpt #: 340 total cpu time spent up to now is 73.0 secs Computing kpt #: 341 total cpu time spent up to now is 73.1 secs Computing kpt #: 342 total cpu time spent up to now is 73.3 secs Computing kpt #: 343 total cpu time spent up to now is 73.4 secs Computing kpt #: 344 total cpu time spent up to now is 73.6 secs Computing kpt #: 345 total cpu time spent up to now is 73.7 secs Computing kpt #: 346 total cpu time spent up to now is 73.9 secs Computing kpt #: 347 total cpu time spent up to now is 74.0 secs Computing kpt #: 348 total cpu time spent up to now is 74.2 secs Computing kpt #: 349 total cpu time spent up to now is 74.3 secs Computing kpt #: 350 total cpu time spent up to now is 74.5 secs Computing kpt #: 351 total cpu time spent up to now is 74.6 secs Computing kpt #: 352 total cpu time spent up to now is 74.8 secs Computing kpt #: 353 total cpu time spent up to now is 74.9 secs Computing kpt #: 354 total cpu time spent up to now is 75.1 secs Computing kpt #: 355 total cpu time spent up to now is 75.2 secs Computing kpt #: 356 total cpu time spent up to now is 75.3 secs Computing kpt #: 357 total cpu time spent up to now is 75.5 secs Computing kpt #: 358 total cpu time spent up to now is 75.6 secs Computing kpt #: 359 total cpu time spent up to now is 75.8 secs Computing kpt #: 360 total cpu time spent up to now is 75.9 secs Computing kpt #: 361 total cpu time spent up to now is 76.0 secs Computing kpt #: 362 total cpu time spent up to now is 76.2 secs Computing kpt #: 363 total cpu time spent up to now is 76.3 secs Computing kpt #: 364 total cpu time spent up to now is 76.5 secs Computing kpt #: 365 total cpu time spent up to now is 76.6 secs Computing kpt #: 366 total cpu time spent up to now is 76.7 secs Computing kpt #: 367 total cpu time spent up to now is 76.9 secs Computing kpt #: 368 total cpu time spent up to now is 77.0 secs Computing kpt #: 369 total cpu time spent up to now is 77.2 secs Computing kpt #: 370 total cpu time spent up to now is 77.3 secs Computing kpt #: 371 total cpu time spent up to now is 77.5 secs Computing kpt #: 372 total cpu time spent up to now is 77.6 secs Computing kpt #: 373 total cpu time spent up to now is 77.8 secs Computing kpt #: 374 total cpu time spent up to now is 77.9 secs Computing kpt #: 375 total cpu time spent up to now is 78.1 secs Computing kpt #: 376 total cpu time spent up to now is 78.2 secs Computing kpt #: 377 total cpu time spent up to now is 78.4 secs Computing kpt #: 378 total cpu time spent up to now is 78.5 secs Computing kpt #: 379 total cpu time spent up to now is 78.7 secs Computing kpt #: 380 total cpu time spent up to now is 78.9 secs Computing kpt #: 381 total cpu time spent up to now is 79.0 secs Computing kpt #: 382 total cpu time spent up to now is 79.2 secs Computing kpt #: 383 total cpu time spent up to now is 79.3 secs Computing kpt #: 384 total cpu time spent up to now is 79.5 secs Computing kpt #: 385 total cpu time spent up to now is 79.7 secs Computing kpt #: 386 total cpu time spent up to now is 79.8 secs Computing kpt #: 387 total cpu time spent up to now is 80.0 secs Computing kpt #: 388 total cpu time spent up to now is 80.1 secs Computing kpt #: 389 total cpu time spent up to now is 80.3 secs Computing kpt #: 390 total cpu time spent up to now is 80.5 secs Computing kpt #: 391 total cpu time spent up to now is 80.6 secs Computing kpt #: 392 total cpu time spent up to now is 80.8 secs Computing kpt #: 393 total cpu time spent up to now is 80.9 secs Computing kpt #: 394 total cpu time spent up to now is 81.1 secs Computing kpt #: 395 total cpu time spent up to now is 81.3 secs Computing kpt #: 396 total cpu time spent up to now is 81.4 secs Computing kpt #: 397 total cpu time spent up to now is 81.6 secs Computing kpt #: 398 total cpu time spent up to now is 81.9 secs Computing kpt #: 399 total cpu time spent up to now is 82.0 secs Computing kpt #: 400 total cpu time spent up to now is 82.2 secs Computing kpt #: 401 total cpu time spent up to now is 82.3 secs Computing kpt #: 402 total cpu time spent up to now is 82.5 secs Computing kpt #: 403 total cpu time spent up to now is 82.6 secs Computing kpt #: 404 total cpu time spent up to now is 82.8 secs Computing kpt #: 405 total cpu time spent up to now is 83.0 secs Computing kpt #: 406 total cpu time spent up to now is 83.1 secs Computing kpt #: 407 total cpu time spent up to now is 83.3 secs Computing kpt #: 408 total cpu time spent up to now is 83.4 secs Computing kpt #: 409 total cpu time spent up to now is 83.6 secs Computing kpt #: 410 total cpu time spent up to now is 83.7 secs Computing kpt #: 411 total cpu time spent up to now is 83.9 secs Computing kpt #: 412 total cpu time spent up to now is 84.0 secs Computing kpt #: 413 total cpu time spent up to now is 84.4 secs Computing kpt #: 414 total cpu time spent up to now is 84.5 secs Computing kpt #: 415 total cpu time spent up to now is 84.7 secs Computing kpt #: 416 total cpu time spent up to now is 84.8 secs Computing kpt #: 417 total cpu time spent up to now is 85.0 secs Computing kpt #: 418 total cpu time spent up to now is 85.2 secs Computing kpt #: 419 total cpu time spent up to now is 85.4 secs Computing kpt #: 420 total cpu time spent up to now is 85.5 secs Computing kpt #: 421 total cpu time spent up to now is 85.7 secs Computing kpt #: 422 total cpu time spent up to now is 85.9 secs Computing kpt #: 423 total cpu time spent up to now is 86.1 secs Computing kpt #: 424 total cpu time spent up to now is 86.2 secs Computing kpt #: 425 total cpu time spent up to now is 86.5 secs Computing kpt #: 426 total cpu time spent up to now is 86.6 secs Computing kpt #: 427 total cpu time spent up to now is 86.8 secs Computing kpt #: 428 total cpu time spent up to now is 87.0 secs Computing kpt #: 429 total cpu time spent up to now is 87.2 secs Computing kpt #: 430 total cpu time spent up to now is 87.4 secs Computing kpt #: 431 total cpu time spent up to now is 87.6 secs Computing kpt #: 432 total cpu time spent up to now is 87.7 secs Computing kpt #: 433 total cpu time spent up to now is 88.0 secs Computing kpt #: 434 total cpu time spent up to now is 88.2 secs Computing kpt #: 435 total cpu time spent up to now is 88.4 secs Computing kpt #: 436 total cpu time spent up to now is 88.5 secs Computing kpt #: 437 total cpu time spent up to now is 88.7 secs Computing kpt #: 438 total cpu time spent up to now is 88.9 secs Computing kpt #: 439 total cpu time spent up to now is 89.2 secs Computing kpt #: 440 total cpu time spent up to now is 89.3 secs Computing kpt #: 441 total cpu time spent up to now is 89.5 secs Computing kpt #: 442 total cpu time spent up to now is 89.7 secs Computing kpt #: 443 total cpu time spent up to now is 89.9 secs Computing kpt #: 444 total cpu time spent up to now is 90.0 secs Computing kpt #: 445 total cpu time spent up to now is 90.2 secs Computing kpt #: 446 total cpu time spent up to now is 90.4 secs Computing kpt #: 447 total cpu time spent up to now is 90.6 secs Computing kpt #: 448 total cpu time spent up to now is 90.7 secs Computing kpt #: 449 total cpu time spent up to now is 90.9 secs Computing kpt #: 450 total cpu time spent up to now is 91.1 secs Computing kpt #: 451 total cpu time spent up to now is 91.2 secs Computing kpt #: 452 total cpu time spent up to now is 91.4 secs Computing kpt #: 453 total cpu time spent up to now is 91.6 secs Computing kpt #: 454 total cpu time spent up to now is 91.7 secs Computing kpt #: 455 total cpu time spent up to now is 91.9 secs Computing kpt #: 456 total cpu time spent up to now is 92.0 secs Computing kpt #: 457 total cpu time spent up to now is 92.2 secs Computing kpt #: 458 total cpu time spent up to now is 92.4 secs Computing kpt #: 459 total cpu time spent up to now is 92.5 secs Computing kpt #: 460 total cpu time spent up to now is 92.7 secs Computing kpt #: 461 total cpu time spent up to now is 92.9 secs Computing kpt #: 462 total cpu time spent up to now is 93.0 secs Computing kpt #: 463 total cpu time spent up to now is 93.2 secs Computing kpt #: 464 total cpu time spent up to now is 93.4 secs Computing kpt #: 465 total cpu time spent up to now is 93.5 secs Computing kpt #: 466 total cpu time spent up to now is 93.7 secs Computing kpt #: 467 total cpu time spent up to now is 93.8 secs Computing kpt #: 468 total cpu time spent up to now is 94.0 secs Computing kpt #: 469 total cpu time spent up to now is 94.2 secs Computing kpt #: 470 total cpu time spent up to now is 94.3 secs Computing kpt #: 471 total cpu time spent up to now is 94.5 secs Computing kpt #: 472 total cpu time spent up to now is 94.6 secs Computing kpt #: 473 total cpu time spent up to now is 94.8 secs Computing kpt #: 474 total cpu time spent up to now is 94.9 secs Computing kpt #: 475 total cpu time spent up to now is 95.1 secs Computing kpt #: 476 total cpu time spent up to now is 95.2 secs Computing kpt #: 477 total cpu time spent up to now is 95.3 secs Computing kpt #: 478 total cpu time spent up to now is 95.5 secs Computing kpt #: 479 total cpu time spent up to now is 95.6 secs Computing kpt #: 480 total cpu time spent up to now is 95.8 secs Computing kpt #: 481 total cpu time spent up to now is 95.9 secs Computing kpt #: 482 total cpu time spent up to now is 96.0 secs ethr = 2.94E-08, avg # of iterations = 18.4 total cpu time spent up to now is 96.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1475 PWs) bands (ev): -10.1702 -10.1702 -8.8265 -8.8265 1.5824 1.5824 4.2185 4.2185 4.6357 4.6357 6.4375 6.4375 6.6462 6.6462 6.6589 6.6589 6.6799 6.6799 6.8154 6.8154 7.1620 7.1620 7.1957 7.1957 7.4273 7.4273 7.5460 7.5460 7.6570 7.6570 8.1530 8.1530 10.0752 10.0752 10.8175 10.8175 11.5301 11.5301 15.8943 15.8943 17.8965 17.8965 k = 0.0074 0.0054-0.0015 ( 1475 PWs) bands (ev): -10.1696 -10.1696 -8.8264 -8.8264 1.5834 1.5834 4.2185 4.2185 4.6356 4.6356 6.4335 6.4335 6.6277 6.6277 6.6513 6.6513 6.6990 6.6990 6.8175 6.8175 7.1589 7.1589 7.1999 7.1999 7.4309 7.4309 7.5466 7.5466 7.6576 7.6576 8.1528 8.1528 10.0751 10.0751 10.8156 10.8156 11.5335 11.5335 15.8978 15.8978 17.8947 17.8947 k = 0.0147 0.0108-0.0030 ( 1473 PWs) bands (ev): -10.1679 -10.1679 -8.8259 -8.8259 1.5864 1.5864 4.2186 4.2186 4.6352 4.6352 6.4214 6.4214 6.5912 6.5912 6.6438 6.6438 6.7229 6.7229 6.8231 6.8231 7.1514 7.1514 7.2112 7.2112 7.4411 7.4411 7.5483 7.5483 7.6595 7.6595 8.1522 8.1522 10.0750 10.0750 10.8096 10.8096 11.5437 11.5437 15.9084 15.9084 17.8893 17.8893 k = 0.0221 0.0162-0.0045 ( 1475 PWs) bands (ev): -10.1649 -10.1649 -8.8251 -8.8251 1.5914 1.5914 4.2188 4.2188 4.6347 4.6347 6.4009 6.4009 6.5491 6.5491 6.6343 6.6343 6.7439 6.7439 6.8307 6.8307 7.1415 7.1415 7.2276 7.2276 7.4564 7.4564 7.5512 7.5512 7.6626 7.6626 8.1513 8.1513 10.0748 10.0748 10.7998 10.7998 11.5605 11.5605 15.9260 15.9260 17.8804 17.8804 k = 0.0294 0.0215-0.0060 ( 1481 PWs) bands (ev): -10.1608 -10.1608 -8.8240 -8.8240 1.5984 1.5984 4.2190 4.2190 4.6338 4.6338 6.3720 6.3720 6.5030 6.5030 6.6242 6.6242 6.7617 6.7617 6.8385 6.8385 7.1309 7.1309 7.2476 7.2476 7.4752 7.4752 7.5561 7.5561 7.6673 7.6673 8.1499 8.1499 10.0745 10.0745 10.7861 10.7861 11.5839 11.5839 15.9505 15.9505 17.8679 17.8679 k = 0.0368 0.0269-0.0075 ( 1479 PWs) bands (ev): -10.1555 -10.1555 -8.8226 -8.8226 1.6074 1.6074 4.2194 4.2194 4.6327 4.6327 6.3354 6.3354 6.4538 6.4538 6.6142 6.6142 6.7772 6.7772 6.8457 6.8457 7.1208 7.1208 7.2697 7.2697 7.4954 7.4954 7.5635 7.5635 7.6739 7.6739 8.1482 8.1482 10.0740 10.0740 10.7688 10.7688 11.6138 11.6138 15.9818 15.9818 17.8520 17.8520 k = 0.0441 0.0323-0.0090 ( 1481 PWs) bands (ev): -10.1490 -10.1490 -8.8209 -8.8209 1.6183 1.6183 4.2198 4.2198 4.6314 4.6314 6.2915 6.2915 6.4019 6.4019 6.6045 6.6045 6.7908 6.7908 6.8514 6.8514 7.1122 7.1122 7.2923 7.2923 7.5153 7.5153 7.5741 7.5741 7.6828 7.6828 8.1462 8.1462 10.0734 10.0734 10.7478 10.7478 11.6499 11.6499 16.0196 16.0196 17.8328 17.8328 k = 0.0515 0.0377-0.0105 ( 1483 PWs) bands (ev): -10.1414 -10.1414 -8.8189 -8.8189 1.6312 1.6312 4.2204 4.2204 4.6298 4.6298 6.2411 6.2411 6.3478 6.3478 6.5949 6.5949 6.8031 6.8031 6.8555 6.8555 7.1057 7.1057 7.3138 7.3138 7.5333 7.5333 7.5886 7.5886 7.6947 7.6947 8.1438 8.1438 10.0726 10.0726 10.7235 10.7235 11.6920 11.6920 16.0637 16.0637 17.8103 17.8103 k = 0.0588 0.0431-0.0119 ( 1480 PWs) bands (ev): -10.1327 -10.1327 -8.8165 -8.8165 1.6461 1.6461 4.2211 4.2211 4.6279 4.6279 6.1852 6.1852 6.2920 6.2920 6.5852 6.5852 6.8143 6.8143 6.8583 6.8583 7.1017 7.1017 7.3329 7.3329 7.5488 7.5488 7.6074 7.6074 7.7102 7.7102 8.1411 8.1411 10.0717 10.0717 10.6960 10.6960 11.7398 11.7398 16.1139 16.1139 17.7848 17.7848 k = 0.0662 0.0485-0.0134 ( 1480 PWs) bands (ev): -10.1228 -10.1228 -8.8139 -8.8139 1.6629 1.6629 4.2218 4.2218 4.6258 4.6258 6.1243 6.1243 6.2348 6.2348 6.5748 6.5748 6.8246 6.8246 6.8603 6.8603 7.1003 7.1003 7.3485 7.3485 7.5615 7.5615 7.6296 7.6296 7.7295 7.7295 8.1381 8.1381 10.0706 10.0706 10.6654 10.6654 11.7931 11.7931 16.1699 16.1699 17.7564 17.7564 k = 0.0735 0.0538-0.0149 ( 1480 PWs) bands (ev): -10.1118 -10.1118 -8.8110 -8.8110 1.6815 1.6815 4.2227 4.2227 4.6233 4.6233 6.0591 6.0591 6.1764 6.1764 6.5636 6.5636 6.8336 6.8336 6.8626 6.8626 7.1015 7.1015 7.3604 7.3604 7.5720 7.5720 7.6547 7.6547 7.7524 7.7524 8.1347 8.1347 10.0694 10.0694 10.6320 10.6320 11.8514 11.8514 16.2315 16.2315 17.7253 17.7253 k = 0.0809 0.0592-0.0164 ( 1484 PWs) bands (ev): -10.0998 -10.0998 -8.8078 -8.8078 1.7021 1.7021 4.2237 4.2237 4.6205 4.6205 5.9903 5.9903 6.1171 6.1171 6.5512 6.5512 6.8407 6.8407 6.8666 6.8666 7.1049 7.1049 7.3687 7.3687 7.5799 7.5799 7.6822 7.6822 7.7783 7.7783 8.1311 8.1311 10.0681 10.0681 10.5960 10.5960 11.9145 11.9145 16.2982 16.2982 17.6917 17.6917 k = 0.0882 0.0646-0.0179 ( 1486 PWs) bands (ev): -10.0866 -10.0866 -8.8043 -8.8043 1.7245 1.7245 4.2249 4.2249 4.6174 4.6174 5.9181 5.9181 6.0571 6.0571 6.5376 6.5376 6.8454 6.8454 6.8734 6.8734 7.1102 7.1102 7.3739 7.3739 7.5859 7.5859 7.7117 7.7117 7.8065 7.8065 8.1272 8.1272 10.0668 10.0668 10.5575 10.5575 11.9820 11.9820 16.3698 16.3698 17.6558 17.6558 k = 0.0956 0.0700-0.0194 ( 1489 PWs) bands (ev): -10.0724 -10.0724 -8.8006 -8.8006 1.7487 1.7487 4.2262 4.2262 4.6139 4.6139 5.8432 5.8432 5.9966 5.9966 6.5226 6.5226 6.8485 6.8485 6.8827 6.8827 7.1172 7.1172 7.3765 7.3765 7.5900 7.5900 7.7424 7.7424 7.8363 7.8363 8.1232 8.1232 10.0657 10.0657 10.5169 10.5169 12.0534 12.0534 16.4457 16.4457 17.6179 17.6179 k = 0.1029 0.0754-0.0209 ( 1491 PWs) bands (ev): -10.0571 -10.0571 -8.7966 -8.7966 1.7748 1.7748 4.2278 4.2278 4.6100 4.6100 5.7660 5.7660 5.9356 5.9356 6.5065 6.5065 6.8515 6.8515 6.8936 6.8936 7.1257 7.1257 7.3771 7.3771 7.5926 7.5926 7.7736 7.7736 7.8672 7.8672 8.1191 8.1191 10.0647 10.0647 10.4743 10.4743 12.1284 12.1284 16.5257 16.5257 17.5784 17.5784 k = 0.1103 0.0808-0.0224 ( 1493 PWs) bands (ev): -10.0408 -10.0408 -8.7923 -8.7923 1.8026 1.8026 4.2295 4.2295 4.6056 4.6056 5.6867 5.6867 5.8743 5.8743 6.4892 6.4892 6.8551 6.8551 6.9053 6.9053 7.1354 7.1354 7.3761 7.3761 7.5940 7.5940 7.8044 7.8044 7.8989 7.8989 8.1149 8.1149 10.0642 10.0642 10.4298 10.4298 12.2067 12.2067 16.6091 16.6091 17.5377 17.5377 k = 0.1176 0.0861-0.0239 ( 1492 PWs) bands (ev): -10.0235 -10.0235 -8.7878 -8.7878 1.8321 1.8321 4.2314 4.2314 4.6007 4.6007 5.6059 5.6059 5.8128 5.8128 6.4711 6.4711 6.8596 6.8596 6.9177 6.9177 7.1463 7.1463 7.3738 7.3738 7.5944 7.5944 7.8343 7.8343 7.9309 7.9309 8.1109 8.1109 10.0640 10.0640 10.3838 10.3838 12.2877 12.2877 16.6952 16.6952 17.4965 17.4965 k = 0.1250 0.0915-0.0254 ( 1488 PWs) bands (ev): -10.0053 -10.0053 -8.7830 -8.7830 1.8633 1.8633 4.2336 4.2336 4.5953 4.5953 5.5238 5.5238 5.7513 5.7513 6.4522 6.4522 6.8652 6.8652 6.9307 6.9307 7.1582 7.1582 7.3707 7.3707 7.5939 7.5939 7.8629 7.8629 7.9628 7.9628 8.1074 8.1074 10.0645 10.0645 10.3364 10.3364 12.3712 12.3712 16.7828 16.7828 17.4558 17.4558 k = 0.1324 0.0969-0.0269 ( 1488 PWs) bands (ev): -9.9861 -9.9861 -8.7780 -8.7780 1.8961 1.8961 4.2360 4.2360 4.5891 4.5891 5.4407 5.4407 5.6897 5.6897 6.4326 6.4326 6.8719 6.8719 6.9439 6.9439 7.1709 7.1709 7.3669 7.3669 7.5928 7.5928 7.8896 7.8896 7.9935 7.9935 8.1052 8.1052 10.0656 10.0656 10.2878 10.2878 12.4566 12.4566 16.8703 16.8703 17.4174 17.4174 k = 0.1397 0.1023-0.0284 ( 1490 PWs) bands (ev): -9.9660 -9.9660 -8.7728 -8.7728 1.9306 1.9306 4.2387 4.2387 4.5821 4.5821 5.3571 5.3571 5.6282 5.6282 6.4126 6.4126 6.8798 6.8798 6.9574 6.9574 7.1844 7.1844 7.3627 7.3627 7.5909 7.5909 7.9142 7.9142 8.0212 8.0212 8.1059 8.1059 10.0674 10.0674 10.2383 10.2383 12.5437 12.5437 16.9537 16.9537 17.3850 17.3850 k = 0.1471 0.1077-0.0299 ( 1490 PWs) bands (ev): -9.9451 -9.9451 -8.7673 -8.7673 1.9666 1.9666 4.2417 4.2417 4.5740 4.5740 5.2735 5.2735 5.5669 5.5669 6.3923 6.3923 6.8887 6.8887 6.9710 6.9710 7.1987 7.1987 7.3583 7.3583 7.5884 7.5884 7.9365 7.9365 8.0419 8.0419 8.1138 8.1138 10.0697 10.0697 10.1883 10.1883 12.6320 12.6320 17.0249 17.0249 17.3667 17.3667 k = 0.1544 0.1131-0.0314 ( 1490 PWs) bands (ev): -9.9232 -9.9232 -8.7617 -8.7617 2.0041 2.0041 4.2450 4.2450 4.5645 4.5645 5.1903 5.1903 5.5058 5.5058 6.3719 6.3719 6.8987 6.8987 6.9848 6.9848 7.2137 7.2137 7.3538 7.3538 7.5854 7.5854 7.9565 7.9565 8.0518 8.0518 8.1321 8.1321 10.0712 10.0712 10.1395 10.1395 12.7211 12.7211 17.0689 17.0689 17.3774 17.3774 k = 0.1618 0.1184-0.0329 ( 1487 PWs) bands (ev): -9.9006 -9.9006 -8.7559 -8.7559 2.0430 2.0430 4.2487 4.2487 4.5533 4.5533 5.1081 5.1081 5.4450 5.4450 6.3516 6.3516 6.9097 6.9097 6.9984 6.9984 7.2293 7.2293 7.3496 7.3496 7.5820 7.5820 7.9738 7.9738 8.0534 8.0534 8.1584 8.1584 10.0618 10.0618 10.1023 10.1023 12.8106 12.8106 17.0754 17.0754 17.4274 17.4274 k = 0.1691 0.1238-0.0344 ( 1482 PWs) bands (ev): -9.8772 -9.8772 -8.7499 -8.7499 2.0833 2.0833 4.2529 4.2529 4.5396 4.5396 5.0279 5.0279 5.3847 5.3847 6.3313 6.3313 6.9215 6.9215 7.0117 7.0117 7.2452 7.2452 7.3462 7.3462 7.5782 7.5782 7.9885 7.9885 8.0513 8.0513 8.1880 8.1880 10.0215 10.0215 10.0968 10.0968 12.9001 12.9001 17.0541 17.0541 17.5070 17.5070 k = 0.1765 0.1292-0.0358 ( 1490 PWs) bands (ev): -9.8531 -9.8531 -8.7437 -8.7437 2.1249 2.1249 4.2573 4.2573 4.5223 4.5223 4.9507 4.9507 5.3247 5.3247 6.3112 6.3112 6.9341 6.9341 7.0244 7.0244 7.2611 7.2611 7.3437 7.3437 7.5739 7.5739 8.0000 8.0000 8.0478 8.0478 8.2187 8.2187 9.9707 9.9707 10.1029 10.1029 12.9891 12.9891 17.0187 17.0187 17.6023 17.6023 k = 0.1838 0.1346-0.0373 ( 1493 PWs) bands (ev): -9.8283 -9.8283 -8.7374 -8.7374 2.1677 2.1677 4.2622 4.2622 4.5000 4.5000 4.8785 4.8785 5.2653 5.2653 6.2914 6.2914 6.9476 6.9476 7.0364 7.0364 7.2764 7.2764 7.3434 7.3434 7.5694 7.5694 8.0081 8.0081 8.0444 8.0444 8.2495 8.2495 9.9179 9.9179 10.1121 10.1121 13.0774 13.0774 16.9768 16.9768 17.7056 17.7056 k = 0.1912 0.1400-0.0388 ( 1498 PWs) bands (ev): -9.8028 -9.8028 -8.7309 -8.7309 2.2117 2.2117 4.2675 4.2675 4.4705 4.4705 4.8133 4.8133 5.2064 5.2064 6.2719 6.2719 6.9616 6.9616 7.0474 7.0474 7.2899 7.2899 7.3466 7.3466 7.5646 7.5646 8.0120 8.0120 8.0421 8.0421 8.2800 8.2800 9.8644 9.8644 10.1234 10.1234 13.1643 13.1643 16.9319 16.9319 17.8135 17.8135 k = 0.1985 0.1454-0.0403 ( 1500 PWs) bands (ev): -9.7768 -9.7768 -8.7243 -8.7243 2.2568 2.2568 4.2733 4.2733 4.4319 4.4319 4.7575 4.7575 5.1482 5.1482 6.2529 6.2529 6.9762 6.9762 7.0571 7.0571 7.3002 7.3002 7.3548 7.3548 7.5597 7.5597 8.0113 8.0113 8.0415 8.0415 8.3099 8.3099 9.8107 9.8107 10.1365 10.1365 13.2495 13.2495 16.8858 16.8858 17.9242 17.9242 k = 0.2059 0.1507-0.0418 ( 1498 PWs) bands (ev): -9.7501 -9.7501 -8.7176 -8.7176 2.3030 2.3030 4.2794 4.2794 4.3829 4.3829 4.7125 4.7125 5.0907 5.0907 6.2344 6.2344 6.9914 6.9914 7.0655 7.0655 7.3073 7.3073 7.3685 7.3685 7.5546 7.5546 8.0075 8.0075 8.0416 8.0416 8.3389 8.3389 9.7570 9.7570 10.1514 10.1514 13.3325 13.3325 16.8393 16.8393 18.0365 18.0365 k = 0.2132 0.1561-0.0433 ( 1501 PWs) bands (ev): -9.7230 -9.7230 -8.7108 -8.7108 2.3500 2.3500 4.2844 4.2844 4.3259 4.3259 4.6777 4.6777 5.0339 5.0339 6.2163 6.2163 7.0070 7.0070 7.0719 7.0719 7.3126 7.3126 7.3862 7.3862 7.5494 7.5494 8.0016 8.0016 8.0410 8.0410 8.3670 8.3670 9.7035 9.7035 10.1678 10.1678 13.4129 13.4129 16.7931 16.7931 18.1497 18.1497 k = 0.2206 0.1615-0.0448 ( 1499 PWs) bands (ev): -9.6954 -9.6954 -8.7039 -8.7039 2.3979 2.3979 4.2524 4.2524 4.2987 4.2987 4.6510 4.6510 4.9779 4.9779 6.1988 6.1988 7.0227 7.0227 7.0767 7.0767 7.3178 7.3178 7.4064 7.4064 7.5443 7.5443 7.9949 7.9949 8.0391 8.0391 8.3941 8.3941 9.6503 9.6503 10.1859 10.1859 13.4900 13.4900 16.7478 16.7478 18.2632 18.2632 k = 0.2279 0.1669-0.0463 ( 1501 PWs) bands (ev): -9.6674 -9.6674 -8.6970 -8.6970 2.4466 2.4466 4.1822 4.1822 4.3052 4.3052 4.6303 4.6303 4.9228 4.9228 6.1819 6.1819 7.0382 7.0382 7.0798 7.0798 7.3234 7.3234 7.4281 7.4281 7.5395 7.5395 7.9874 7.9874 8.0357 8.0357 8.4200 8.4200 9.5976 9.5976 10.2054 10.2054 13.5634 13.5634 16.7035 16.7035 18.3766 18.3766 k = 0.2353 0.1723-0.0478 ( 1501 PWs) bands (ev): -9.6390 -9.6390 -8.6899 -8.6899 2.4959 2.4959 4.1071 4.1071 4.3140 4.3140 4.6135 4.6135 4.8687 4.8687 6.1656 6.1656 7.0521 7.0521 7.0826 7.0826 7.3301 7.3301 7.4504 7.4504 7.5355 7.5355 7.9796 7.9796 8.0307 8.0307 8.4447 8.4447 9.5456 9.5456 10.2263 10.2263 13.6325 13.6325 16.6607 16.6607 18.4893 18.4893 k = 0.2426 0.1777-0.0493 ( 1502 PWs) bands (ev): -9.6104 -9.6104 -8.6829 -8.6829 2.5457 2.5457 4.0300 4.0300 4.3238 4.3238 4.5995 4.5995 4.8155 4.8155 6.1499 6.1499 7.0612 7.0612 7.0884 7.0884 7.3376 7.3376 7.4719 7.4719 7.5334 7.5334 7.9714 7.9714 8.0242 8.0242 8.4680 8.4680 9.4945 9.4945 10.2486 10.2486 13.6968 13.6968 16.6196 16.6196 18.6008 18.6008 k = 0.2500 0.1830-0.0508 ( 1500 PWs) bands (ev): -9.5814 -9.5814 -8.6758 -8.6758 2.5960 2.5960 3.9519 3.9519 4.3345 4.3345 4.5872 4.5872 4.7634 4.7634 6.1348 6.1348 7.0624 7.0624 7.1003 7.1003 7.3457 7.3457 7.4894 7.4894 7.5366 7.5366 7.9629 7.9629 8.0164 8.0164 8.4900 8.4900 9.4445 9.4445 10.2720 10.2720 13.7558 13.7558 16.5805 16.5805 18.7107 18.7107 k = 0.2574 0.1884-0.0523 ( 1500 PWs) bands (ev): -9.5523 -9.5523 -8.6687 -8.6687 2.6466 2.6466 3.8736 3.8736 4.3460 4.3460 4.5762 4.5762 4.7124 4.7124 6.1205 6.1205 7.0585 7.0585 7.1156 7.1156 7.3541 7.3541 7.4980 7.4980 7.5500 7.5500 7.9543 7.9543 8.0076 8.0076 8.5103 8.5103 9.3957 9.3957 10.2964 10.2964 13.8089 13.8089 16.5435 16.5435 18.8182 18.8182 k = 0.2647 0.1938-0.0538 ( 1500 PWs) bands (ev): -9.5231 -9.5231 -8.6616 -8.6616 2.6973 2.6973 3.7955 3.7955 4.3584 4.3584 4.5659 4.5659 4.6628 4.6628 6.1068 6.1068 7.0519 7.0519 7.1321 7.1321 7.3622 7.3622 7.4993 7.4993 7.5718 7.5718 7.9454 7.9454 7.9979 7.9979 8.5289 8.5289 9.3485 9.3485 10.3218 10.3218 13.8556 13.8556 16.5089 16.5089 18.9229 18.9229 k = 0.2721 0.1992-0.0553 ( 1498 PWs) bands (ev): -9.4938 -9.4938 -8.6545 -8.6545 2.7482 2.7482 3.7181 3.7181 4.3716 4.3716 4.5560 4.5560 4.6149 4.6149 6.0939 6.0939 7.0435 7.0435 7.1489 7.1489 7.3696 7.3696 7.4985 7.4985 7.5973 7.5973 7.9363 7.9363 7.9878 7.9878 8.5456 8.5456 9.3033 9.3033 10.3480 10.3480 13.8954 13.8954 16.4770 16.4770 19.0234 19.0234 k = 0.2794 0.2046-0.0568 ( 1494 PWs) bands (ev): -9.4645 -9.4645 -8.6475 -8.6475 2.7990 2.7990 3.6415 3.6415 4.3855 4.3855 4.5443 4.5443 4.5708 4.5708 6.0816 6.0816 7.0336 7.0336 7.1658 7.1658 7.3756 7.3756 7.4977 7.4977 7.6241 7.6241 7.9271 7.9271 7.9777 7.9777 8.5600 8.5600 9.2603 9.2603 10.3748 10.3748 13.9280 13.9280 16.4477 16.4477 19.1146 19.1146 k = 0.2868 0.2100-0.0583 ( 1496 PWs) bands (ev): -9.4352 -9.4352 -8.6405 -8.6405 2.8495 2.8495 3.5660 3.5660 4.3995 4.3995 4.5166 4.5166 4.5451 4.5451 6.0701 6.0701 7.0227 7.0227 7.1825 7.1825 7.3797 7.3797 7.4980 7.4980 7.6510 7.6510 7.9174 7.9174 7.9683 7.9683 8.5720 8.5720 9.2199 9.2199 10.4022 10.4022 13.9528 13.9528 16.4215 16.4215 19.1053 19.1053 k = 0.2941 0.2153-0.0597 ( 1497 PWs) bands (ev): -9.4061 -9.4061 -8.6336 -8.6336 2.8998 2.8998 3.4918 3.4918 4.4116 4.4116 4.4782 4.4782 4.5348 4.5348 6.0592 6.0592 7.0106 7.0106 7.1990 7.1990 7.3816 7.3816 7.4998 7.4998 7.6772 7.6772 7.9075 7.9075 7.9605 7.9605 8.5811 8.5811 9.1827 9.1827 10.4300 10.4300 13.9698 13.9698 16.3983 16.3983 19.0501 19.0502 k = 0.3015 0.2207-0.0612 ( 1495 PWs) bands (ev): -9.3772 -9.3772 -8.6267 -8.6267 2.9495 2.9495 3.4191 3.4191 4.4077 4.4077 4.4565 4.4565 4.5266 4.5266 6.0491 6.0491 6.9978 6.9978 7.2151 7.2151 7.3812 7.3812 7.5033 7.5033 7.7015 7.7015 7.8971 7.8971 7.9554 7.9554 8.5870 8.5870 9.1491 9.1491 10.4580 10.4580 13.9788 13.9788 16.3784 16.3784 19.0034 19.0034 k = 0.3088 0.2261-0.0627 ( 1493 PWs) bands (ev): -9.3485 -9.3485 -8.6200 -8.6200 2.9987 2.9987 3.3479 3.3479 4.3759 4.3759 4.4646 4.4646 4.5190 4.5190 6.0398 6.0398 6.9841 6.9841 7.2307 7.2307 7.3786 7.3786 7.5083 7.5083 7.7226 7.7226 7.8862 7.8862 7.9547 7.9547 8.5893 8.5893 9.1197 9.1197 10.4862 10.4862 13.9798 13.9798 16.3619 16.3620 18.9669 18.9669 k = 0.3162 0.2315-0.0642 ( 1491 PWs) bands (ev): -9.3201 -9.3201 -8.6133 -8.6133 3.0470 3.0470 3.2785 3.2785 4.3372 4.3372 4.4817 4.4817 4.5122 4.5122 6.0311 6.0311 6.9696 6.9696 7.2455 7.2455 7.3744 7.3744 7.5143 7.5143 7.7391 7.7391 7.8746 7.8746 7.9598 7.9598 8.5876 8.5876 9.0948 9.0948 10.5144 10.5144 13.9730 13.9730 16.3490 16.3490 18.9407 18.9407 k = 0.3235 0.2369-0.0657 ( 1491 PWs) bands (ev): -9.2922 -9.2922 -8.6068 -8.6068 3.0945 3.0945 3.2109 3.2109 4.2983 4.2983 4.4984 4.4984 4.5088 4.5088 6.0232 6.0232 6.9544 6.9544 7.2592 7.2592 7.3692 7.3692 7.5210 7.5210 7.7498 7.7498 7.8625 7.8625 7.9716 7.9716 8.5819 8.5819 9.0747 9.0747 10.5424 10.5424 13.9585 13.9585 16.3397 16.3397 18.9247 18.9247 k = 0.3309 0.2423-0.0672 ( 1494 PWs) bands (ev): -9.2646 -9.2646 -8.6004 -8.6004 3.1400 3.1400 3.1461 3.1461 4.2602 4.2602 4.4966 4.4966 4.5258 4.5258 6.0159 6.0159 6.9385 6.9385 7.2714 7.2714 7.3636 7.3636 7.5278 7.5278 7.7546 7.7546 7.8501 7.8501 7.9904 7.9904 8.5722 8.5722 9.0594 9.0594 10.5702 10.5702 13.9369 13.9369 16.3342 16.3342 18.9186 18.9186 k = 0.3382 0.2476-0.0687 ( 1492 PWs) bands (ev): -9.2377 -9.2377 -8.5942 -8.5942 3.0814 3.0814 3.1862 3.1862 4.2233 4.2233 4.4906 4.4906 4.5486 4.5486 6.0094 6.0094 6.9221 6.9221 7.2813 7.2813 7.3589 7.3589 7.5347 7.5347 7.7547 7.7547 7.8375 7.8375 8.0149 8.0149 8.5588 8.5588 9.0488 9.0488 10.5977 10.5977 13.9086 13.9086 16.3326 16.3326 18.9220 18.9220 k = 0.3456 0.2530-0.0702 ( 1490 PWs) bands (ev): -9.2113 -9.2113 -8.5882 -8.5882 3.0199 3.0199 3.2300 3.2300 4.1878 4.1878 4.4845 4.4845 4.5730 4.5730 6.0035 6.0035 6.9051 6.9051 7.2874 7.2874 7.3564 7.3564 7.5413 7.5413 7.7510 7.7510 7.8249 7.8249 8.0439 8.0439 8.5422 8.5422 9.0424 9.0424 10.6247 10.6247 13.8743 13.8743 16.3349 16.3349 18.9342 18.9342 k = 0.3529 0.2584-0.0717 ( 1487 PWs) bands (ev): -9.1855 -9.1855 -8.5823 -8.5823 2.9606 2.9606 3.2724 3.2724 4.1537 4.1537 4.4785 4.4785 4.5986 4.5986 5.9983 5.9983 6.8876 6.8876 7.2886 7.2886 7.3576 7.3576 7.5475 7.5475 7.7450 7.7450 7.8123 7.8123 8.0760 8.0760 8.5231 8.5231 9.0396 9.0396 10.6511 10.6511 13.8346 13.8346 16.3412 16.3412 18.9545 18.9545 k = 0.3603 0.2638-0.0732 ( 1491 PWs) bands (ev): -9.1605 -9.1605 -8.5766 -8.5766 2.9035 2.9035 3.3133 3.3133 4.1210 4.1210 4.4727 4.4727 4.6252 4.6252 5.9936 5.9936 6.8696 6.8696 7.2849 7.2849 7.3625 7.3625 7.5530 7.5530 7.7375 7.7375 7.7999 7.7999 8.1102 8.1102 8.5022 8.5022 9.0398 9.0398 10.6769 10.6769 13.7902 13.7902 16.3515 16.3515 18.9822 18.9822 k = 0.3676 0.2692-0.0747 ( 1492 PWs) bands (ev): -9.1363 -9.1363 -8.5711 -8.5711 2.8489 2.8489 3.3524 3.3524 4.0898 4.0898 4.4672 4.4672 4.6527 4.6527 5.9896 5.9896 6.8512 6.8512 7.2775 7.2775 7.3699 7.3699 7.5577 7.5577 7.7293 7.7293 7.7876 7.7876 8.1457 8.1457 8.4801 8.4801 9.0423 9.0423 10.7019 10.7019 13.7421 13.7421 16.3659 16.3659 19.0167 19.0167 k = 0.3750 0.2746-0.0762 ( 1492 PWs) bands (ev): -9.1130 -9.1130 -8.5659 -8.5659 2.7966 2.7966 3.3898 3.3898 4.0601 4.0601 4.4619 4.4619 4.6809 4.6809 5.9862 5.9862 6.8325 6.8325 7.2680 7.2680 7.3785 7.3785 7.5617 7.5617 7.7207 7.7207 7.7758 7.7758 8.1818 8.1818 8.4576 8.4576 9.0467 9.0467 10.7261 10.7261 13.6910 13.6910 16.3842 16.3842 19.0569 19.0569 k = 0.3824 0.2799-0.0777 ( 1492 PWs) bands (ev): -9.0906 -9.0906 -8.5609 -8.5609 2.7470 2.7470 3.4253 3.4253 4.0321 4.0321 4.4568 4.4568 4.7098 4.7098 5.9832 5.9832 6.8136 6.8136 7.2572 7.2572 7.3874 7.3874 7.5647 7.5647 7.7121 7.7121 7.7643 7.7643 8.2182 8.2182 8.4351 8.4351 9.0524 9.0524 10.7494 10.7494 13.6377 13.6377 16.4066 16.4066 19.1020 19.1020 k = 0.3897 0.2853-0.0792 ( 1492 PWs) bands (ev): -9.0692 -9.0692 -8.5561 -8.5561 2.7000 2.7000 3.4589 3.4589 4.0056 4.0056 4.4520 4.4520 4.7391 4.7391 5.9808 5.9808 6.7945 6.7945 7.2457 7.2457 7.3963 7.3963 7.5670 7.5670 7.7037 7.7037 7.7535 7.7535 8.2542 8.2542 8.4133 8.4133 9.0590 9.0590 10.7717 10.7717 13.5830 13.5830 16.4329 16.4329 19.1510 19.1510 k = 0.3971 0.2907-0.0807 ( 1494 PWs) bands (ev): -9.0488 -9.0488 -8.5516 -8.5516 2.6556 2.6556 3.4905 3.4905 3.9807 3.9807 4.4474 4.4474 4.7686 4.7686 5.9789 5.9789 6.7752 6.7752 7.2338 7.2338 7.4047 7.4047 7.5684 7.5684 7.6955 7.6955 7.7434 7.7434 8.2892 8.2892 8.3929 8.3929 9.0661 9.0661 10.7928 10.7928 13.5277 13.5277 16.4630 16.4630 19.2013 19.2013 k = 0.4044 0.2961-0.0822 ( 1494 PWs) bands (ev): -9.0296 -9.0296 -8.5473 -8.5473 2.6140 2.6140 3.5200 3.5200 3.9575 3.9575 4.4433 4.4433 4.7981 4.7981 5.9774 5.9774 6.7562 6.7562 7.2219 7.2219 7.4125 7.4125 7.5690 7.5690 7.6876 7.6876 7.7342 7.7342 8.3207 8.3207 8.3760 8.3760 9.0737 9.0737 10.8129 10.8129 13.4725 13.4725 16.4967 16.4967 19.1798 19.1798 k = 0.4118 0.3015-0.0836 ( 1490 PWs) bands (ev): -9.0115 -9.0115 -8.5433 -8.5433 2.5752 2.5752 3.5474 3.5474 3.9359 3.9359 4.4393 4.4393 4.8272 4.8272 5.9762 5.9762 6.7374 6.7374 7.2101 7.2101 7.4197 7.4197 7.5688 7.5688 7.6800 7.6800 7.7260 7.7260 8.3355 8.3355 8.3761 8.3761 9.0814 9.0814 10.8317 10.8317 13.4182 13.4182 16.5338 16.5338 19.0865 19.0865 k = 0.4191 0.3069-0.0851 ( 1494 PWs) bands (ev): -8.9947 -8.9947 -8.5396 -8.5396 2.5393 2.5393 3.5727 3.5727 3.9160 3.9160 4.4355 4.4355 4.8557 4.8557 5.9754 5.9754 6.7189 6.7189 7.1986 7.1986 7.4260 7.4260 7.5679 7.5679 7.6727 7.6727 7.7190 7.7190 8.3254 8.3254 8.4010 8.4010 9.0889 9.0889 10.8492 10.8492 13.3654 13.3654 16.5740 16.5740 18.9891 18.9891 k = 0.4265 0.3122-0.0866 ( 1494 PWs) bands (ev): -8.9791 -8.9791 -8.5362 -8.5362 2.5063 2.5063 3.5959 3.5959 3.8978 3.8978 4.4320 4.4320 4.8834 4.8834 5.9749 5.9749 6.7011 6.7011 7.1876 7.1876 7.4315 7.4315 7.5666 7.5666 7.6657 7.6657 7.7131 7.7131 8.3105 8.3105 8.4305 8.4305 9.0963 9.0963 10.8654 10.8654 13.3148 13.3148 16.6170 16.6170 18.8908 18.8908 k = 0.4338 0.3176-0.0881 ( 1499 PWs) bands (ev): -8.9649 -8.9649 -8.5331 -8.5331 2.4762 2.4762 3.6169 3.6169 3.8812 3.8812 4.4289 4.4289 4.9098 4.9098 5.9746 5.9746 6.6839 6.6839 7.1771 7.1771 7.4362 7.4362 7.5648 7.5648 7.6591 7.6591 7.7082 7.7082 8.2959 8.2959 8.4592 8.4592 9.1032 9.1032 10.8802 10.8802 13.2670 13.2670 16.6621 16.6621 18.7931 18.7931 k = 0.4412 0.3230-0.0896 ( 1501 PWs) bands (ev): -8.9521 -8.9521 -8.5303 -8.5303 2.4492 2.4492 3.6357 3.6357 3.8664 3.8664 4.4261 4.4261 4.9347 4.9347 5.9745 5.9745 6.6677 6.6677 7.1674 7.1674 7.4400 7.4400 7.5628 7.5628 7.6530 7.6530 7.7043 7.7043 8.2825 8.2825 8.4861 8.4861 9.1097 9.1097 10.8936 10.8936 13.2225 13.2225 16.7088 16.7088 18.6977 18.6977 k = 0.4485 0.3284-0.0911 ( 1501 PWs) bands (ev): -8.9406 -8.9406 -8.5279 -8.5279 2.4253 2.4253 3.6523 3.6523 3.8533 3.8533 4.4236 4.4236 4.9577 4.9577 5.9745 5.9745 6.6527 6.6527 7.1586 7.1586 7.4430 7.4430 7.5609 7.5609 7.6476 7.6476 7.7012 7.7012 8.2706 8.2706 8.5108 8.5108 9.1157 9.1157 10.9055 10.9055 13.1820 13.1820 16.7562 16.7562 18.6060 18.6060 k = 0.4559 0.3338-0.0926 ( 1503 PWs) bands (ev): -8.9306 -8.9306 -8.5257 -8.5257 2.4045 2.4045 3.6667 3.6667 3.8419 3.8419 4.4214 4.4214 4.9785 4.9785 5.9747 5.9747 6.6391 6.6391 7.1507 7.1507 7.4453 7.4453 7.5590 7.5590 7.6427 7.6427 7.6988 7.6988 8.2602 8.2602 8.5328 8.5328 9.1210 9.1210 10.9159 10.9159 13.1458 13.1458 16.8033 16.8033 18.5197 18.5197 k = 0.4632 0.3392-0.0941 ( 1501 PWs) bands (ev): -8.9221 -8.9221 -8.5238 -8.5238 2.3868 2.3868 3.6789 3.6789 3.8322 3.8322 4.4195 4.4195 4.9967 4.9967 5.9749 5.9749 6.6272 6.6272 7.1439 7.1439 7.4470 7.4470 7.5573 7.5573 7.6387 7.6387 7.6969 7.6969 8.2514 8.2514 8.5519 8.5519 9.1256 9.1256 10.9247 10.9247 13.1144 13.1144 16.8485 16.8485 18.4406 18.4406 k = 0.4706 0.3445-0.0956 ( 1498 PWs) bands (ev): -8.9151 -8.9151 -8.5223 -8.5223 2.3723 2.3723 3.6889 3.6889 3.8243 3.8243 4.4180 4.4180 5.0121 5.0121 5.9751 5.9751 6.6171 6.6171 7.1382 7.1382 7.4481 7.4481 7.5559 7.5559 7.6353 7.6353 7.6956 7.6956 8.2442 8.2442 8.5679 8.5679 9.1295 9.1295 10.9321 10.9321 13.0882 13.0882 16.8902 16.8902 18.3708 18.3708 k = 0.4779 0.3499-0.0971 ( 1499 PWs) bands (ev): -8.9096 -8.9096 -8.5211 -8.5211 2.3610 2.3610 3.6967 3.6967 3.8182 3.8182 4.4167 4.4167 5.0243 5.0243 5.9753 5.9753 6.6090 6.6090 7.1337 7.1337 7.4488 7.4488 7.5548 7.5548 7.6327 7.6327 7.6946 7.6946 8.2385 8.2385 8.5805 8.5805 9.1325 9.1325 10.9377 10.9377 13.0675 13.0675 16.9262 16.9262 18.3126 18.3126 k = 0.4853 0.3553-0.0986 ( 1500 PWs) bands (ev): -8.9057 -8.9057 -8.5203 -8.5203 2.3529 2.3529 3.7022 3.7022 3.8138 3.8138 4.4159 4.4159 5.0333 5.0333 5.9755 5.9755 6.6031 6.6031 7.1304 7.1304 7.4492 7.4492 7.5539 7.5539 7.6308 7.6308 7.6939 7.6939 8.2345 8.2345 8.5897 8.5897 9.1347 9.1347 10.9418 10.9418 13.0525 13.0525 16.9543 16.9543 18.2685 18.2685 k = 0.4926 0.3607-0.1001 ( 1500 PWs) bands (ev): -8.9033 -8.9033 -8.5198 -8.5198 2.3480 2.3480 3.7056 3.7056 3.8111 3.8111 4.4154 4.4154 5.0387 5.0387 5.9756 5.9756 6.5995 6.5995 7.1285 7.1285 7.4494 7.4494 7.5535 7.5535 7.6297 7.6297 7.6935 7.6935 8.2321 8.2321 8.5951 8.5951 9.1360 9.1360 10.9442 10.9442 13.0435 13.0435 16.9723 16.9723 18.2409 18.2409 k = 0.5000 0.3661-0.1016 ( 1498 PWs) bands (ev): -8.9026 -8.9026 -8.5196 -8.5196 2.3464 2.3464 3.7067 3.7067 3.8103 3.8103 4.4152 4.4152 5.0405 5.0405 5.9757 5.9757 6.5983 6.5983 7.1278 7.1278 7.4495 7.4495 7.5533 7.5533 7.6294 7.6294 7.6934 7.6934 8.2313 8.2313 8.5970 8.5970 9.1365 9.1365 10.9451 10.9451 13.0404 13.0404 16.9785 16.9785 18.2315 18.2315 k = 0.5000 0.3661-0.1016 ( 1498 PWs) bands (ev): -8.9026 -8.9026 -8.5196 -8.5196 2.3464 2.3464 3.7067 3.7067 3.8103 3.8103 4.4152 4.4152 5.0405 5.0405 5.9757 5.9757 6.5983 6.5983 7.1278 7.1278 7.4495 7.4495 7.5533 7.5533 7.6294 7.6294 7.6934 7.6934 8.2313 8.2313 8.5970 8.5970 9.1365 9.1365 10.9451 10.9451 13.0404 13.0404 16.9785 16.9785 18.2315 18.2315 k = 0.5012 0.3669-0.0928 ( 1496 PWs) bands (ev): -8.9023 -8.9023 -8.5199 -8.5199 2.3474 2.3474 3.7056 3.7056 3.8119 3.8119 4.4149 4.4149 5.0388 5.0388 5.9726 5.9726 6.5990 6.5990 7.1306 7.1306 7.4499 7.4499 7.5534 7.5534 7.6291 7.6291 7.6940 7.6940 8.2322 8.2322 8.5968 8.5968 9.1363 9.1363 10.9424 10.9424 13.0430 13.0430 16.9764 16.9764 18.2302 18.2302 k = 0.5023 0.3678-0.0839 ( 1500 PWs) bands (ev): -8.9016 -8.9016 -8.5208 -8.5208 2.3504 2.3504 3.7026 3.7026 3.8165 3.8165 4.4138 4.4138 5.0335 5.0335 5.9637 5.9637 6.6010 6.6010 7.1384 7.1384 7.4511 7.4511 7.5535 7.5535 7.6281 7.6281 7.6958 7.6958 8.2348 8.2348 8.5960 8.5960 9.1358 9.1358 10.9342 10.9342 13.0507 13.0507 16.9699 16.9699 18.2263 18.2263 k = 0.5035 0.3686-0.0751 ( 1500 PWs) bands (ev): -8.9005 -8.9005 -8.5222 -8.5222 2.3555 2.3555 3.6982 3.6982 3.8238 3.8238 4.4122 4.4122 5.0249 5.0249 5.9491 5.9491 6.6043 6.6043 7.1513 7.1513 7.4531 7.4531 7.5536 7.5536 7.6265 7.6265 7.6989 7.6989 8.2392 8.2392 8.5946 8.5946 9.1351 9.1351 10.9207 10.9207 13.0634 13.0634 16.9589 16.9589 18.2204 18.2204 k = 0.5047 0.3695-0.0663 ( 1500 PWs) bands (ev): -8.8989 -8.8989 -8.5242 -8.5242 2.3625 2.3625 3.6927 3.6927 3.8331 3.8331 4.4099 4.4099 5.0131 5.0131 5.9293 5.9293 6.6088 6.6088 7.1687 7.1687 7.4558 7.4558 7.5537 7.5537 7.6245 7.6245 7.7034 7.7034 8.2452 8.2452 8.5927 8.5927 9.1340 9.1340 10.9021 10.9021 13.0810 13.0810 16.9432 16.9432 18.2130 18.2130 k = 0.5058 0.3703-0.0575 ( 1504 PWs) bands (ev): -8.8968 -8.8968 -8.5268 -8.5268 2.3715 2.3715 3.6867 3.6867 3.8441 3.8441 4.4068 4.4068 4.9982 4.9982 5.9049 5.9049 6.6143 6.6143 7.1900 7.1900 7.4590 7.4590 7.5534 7.5534 7.6221 7.6221 7.7094 7.7094 8.2529 8.2529 8.5903 8.5903 9.1326 9.1326 10.8783 10.8783 13.1034 13.1034 16.9224 16.9224 18.2052 18.2052 k = 0.5070 0.3712-0.0487 ( 1502 PWs) bands (ev): -8.8943 -8.8943 -8.5300 -8.5300 2.3825 2.3825 3.6803 3.6803 3.8563 3.8563 4.4031 4.4031 4.9805 4.9805 5.8765 5.8765 6.6210 6.6210 7.2145 7.2145 7.4626 7.4626 7.5527 7.5527 7.6198 7.6198 7.7171 7.7171 8.2625 8.2625 8.5873 8.5873 9.1310 9.1310 10.8499 10.8499 13.1303 13.1303 16.8962 16.8962 18.1978 18.1978 k = 0.5082 0.3720-0.0399 ( 1498 PWs) bands (ev): -8.8913 -8.8913 -8.5337 -8.5337 2.3955 2.3955 3.6737 3.6737 3.8696 3.8696 4.3989 4.3989 4.9604 4.9604 5.8446 5.8446 6.6287 6.6287 7.2415 7.2415 7.4664 7.4664 7.5513 7.5513 7.6179 7.6179 7.7264 7.7264 8.2735 8.2735 8.5839 8.5839 9.1293 9.1293 10.8171 10.8171 13.1617 13.1617 16.8644 16.8644 18.1919 18.1919 k = 0.5093 0.3729-0.0311 ( 1498 PWs) bands (ev): -8.8879 -8.8879 -8.5379 -8.5379 2.4105 2.4105 3.6669 3.6669 3.8838 3.8838 4.3938 4.3938 4.9380 4.9380 5.8099 5.8099 6.6372 6.6372 7.2700 7.2700 7.4702 7.4702 7.5490 7.5490 7.6170 7.6170 7.7374 7.7374 8.2860 8.2860 8.5800 8.5800 9.1275 9.1275 10.7800 10.7800 13.1973 13.1973 16.8267 16.8267 18.1883 18.1883 k = 0.5105 0.3738-0.0223 ( 1496 PWs) bands (ev): -8.8841 -8.8841 -8.5427 -8.5427 2.4274 2.4274 3.6601 3.6601 3.8986 3.8986 4.3880 4.3880 4.9138 4.9138 5.7727 5.7727 6.6466 6.6466 7.2993 7.2993 7.4738 7.4738 7.5457 7.5457 7.6178 7.6178 7.7501 7.7501 8.3000 8.3000 8.5756 8.5756 9.1256 9.1256 10.7389 10.7389 13.2368 13.2368 16.7832 16.7832 18.1878 18.1878 k = 0.5117 0.3746-0.0134 ( 1496 PWs) bands (ev): -8.8799 -8.8799 -8.5480 -8.5480 2.4463 2.4463 3.6531 3.6531 3.9141 3.9141 4.3816 4.3816 4.8882 4.8882 5.7336 5.7336 6.6567 6.6567 7.3281 7.3281 7.4768 7.4768 7.5416 7.5416 7.6208 7.6208 7.7642 7.7642 8.3152 8.3152 8.5707 8.5707 9.1238 9.1238 10.6942 10.6942 13.2802 13.2802 16.7338 16.7338 18.1909 18.1909 k = 0.5128 0.3755-0.0046 ( 1497 PWs) bands (ev): -8.8752 -8.8752 -8.5537 -8.5537 2.4670 2.4670 3.6458 3.6458 3.9301 3.9301 4.3745 4.3745 4.8615 4.8615 5.6929 5.6929 6.6676 6.6676 7.3554 7.3554 7.4785 7.4785 7.5375 7.5375 7.6269 7.6269 7.7799 7.7799 8.3316 8.3316 8.5653 8.5653 9.1222 9.1222 10.6461 10.6461 13.3272 13.3272 16.6787 16.6787 18.1980 18.1980 k = 0.5140 0.3763 0.0042 ( 1499 PWs) bands (ev): -8.8701 -8.8701 -8.5600 -8.5600 2.4896 2.4896 3.6381 3.6381 3.9465 3.9465 4.3666 4.3666 4.8341 4.8341 5.6509 5.6509 6.6792 6.6792 7.3796 7.3796 7.4784 7.4784 7.5344 7.5344 7.6366 7.6366 7.7967 7.7967 8.3489 8.3489 8.5596 8.5596 9.1210 9.1210 10.5950 10.5950 13.3776 13.3776 16.6184 16.6184 18.2094 18.2094 k = 0.5152 0.3772 0.0130 ( 1499 PWs) bands (ev): -8.8647 -8.8647 -8.5668 -8.5668 2.5141 2.5141 3.6299 3.6299 3.9634 3.9634 4.3581 4.3581 4.8065 4.8065 5.6081 5.6081 6.6915 6.6915 7.3993 7.3993 7.4761 7.4761 7.5332 7.5332 7.6508 7.6508 7.8147 7.8147 8.3668 8.3668 8.5535 8.5535 9.1203 9.1203 10.5412 10.5412 13.4313 13.4313 16.5533 16.5533 18.2250 18.2250 k = 0.5163 0.3780 0.0218 ( 1500 PWs) bands (ev): -8.8588 -8.8588 -8.5739 -8.5739 2.5405 2.5405 3.6210 3.6210 3.9807 3.9807 4.3489 4.3489 4.7791 4.7791 5.5646 5.5646 6.7044 6.7044 7.4126 7.4126 7.4729 7.4729 7.5337 7.5337 7.6698 7.6698 7.8336 7.8336 8.3852 8.3852 8.5471 8.5471 9.1204 9.1204 10.4849 10.4849 13.4882 13.4882 16.4838 16.4838 18.2447 18.2447 k = 0.5175 0.3789 0.0306 ( 1506 PWs) bands (ev): -8.8526 -8.8526 -8.5816 -8.5816 2.5686 2.5686 3.6112 3.6112 3.9982 3.9982 4.3390 4.3390 4.7523 4.7523 5.5205 5.5205 6.7179 6.7179 7.4175 7.4175 7.4711 7.4711 7.5353 7.5353 7.6936 7.6936 7.8533 7.8533 8.4035 8.4035 8.5406 8.5406 9.1214 9.1214 10.4263 10.4263 13.5480 13.5480 16.4104 16.4104 18.2683 18.2683 k = 0.5186 0.3797 0.0394 ( 1504 PWs) bands (ev): -8.8461 -8.8461 -8.5896 -8.5896 2.5985 2.5985 3.6003 3.6003 4.0161 4.0161 4.3285 4.3285 4.7266 4.7266 5.4762 5.4762 6.7322 6.7322 7.4136 7.4136 7.4729 7.4729 7.5372 7.5372 7.7217 7.7217 7.8735 7.8735 8.4212 8.4212 8.5343 8.5343 9.1238 9.1238 10.3659 10.3659 13.6108 13.6108 16.3338 16.3338 18.2956 18.2956 k = 0.5198 0.3806 0.0482 ( 1506 PWs) bands (ev): -8.8392 -8.8392 -8.5980 -8.5980 2.6302 2.6302 3.5880 3.5880 4.0342 4.0342 4.3173 4.3173 4.7023 4.7023 5.4318 5.4318 6.7470 6.7470 7.4033 7.4033 7.4769 7.4769 7.5388 7.5388 7.7529 7.7529 7.8941 7.8941 8.4375 8.4375 8.5286 8.5286 9.1280 9.1280 10.3037 10.3037 13.6764 13.6764 16.2543 16.2543 18.3262 18.3262 k = 0.5210 0.3814 0.0571 ( 1503 PWs) bands (ev): -8.8319 -8.8319 -8.6068 -8.6068 2.6636 2.6636 3.5743 3.5743 4.0526 4.0526 4.3055 4.3055 4.6798 4.6798 5.3874 5.3874 6.7624 6.7624 7.3895 7.3895 7.4814 7.4814 7.5402 7.5402 7.7862 7.7862 7.9150 7.9150 8.4513 8.4513 8.5243 8.5243 9.1342 9.1342 10.2402 10.2402 13.7446 13.7446 16.1726 16.1726 18.3598 18.3598 k = 0.5221 0.3823 0.0659 ( 1505 PWs) bands (ev): -8.8244 -8.8244 -8.6159 -8.6159 2.6986 2.6986 3.5588 3.5588 4.0712 4.0712 4.2930 4.2930 4.6595 4.6595 5.3430 5.3430 6.7784 6.7784 7.3734 7.3734 7.4858 7.4858 7.5410 7.5410 7.8208 7.8208 7.9359 7.9359 8.4608 8.4608 8.5226 8.5226 9.1429 9.1429 10.1754 10.1754 13.8155 13.8155 16.0890 16.0890 18.3961 18.3961 k = 0.5233 0.3831 0.0747 ( 1503 PWs) bands (ev): -8.8166 -8.8166 -8.6253 -8.6253 2.7352 2.7352 3.5414 3.5414 4.0901 4.0901 4.2799 4.2799 4.6418 4.6418 5.2988 5.2988 6.7951 6.7951 7.3560 7.3560 7.4898 7.4898 7.5414 7.5414 7.8560 7.8560 7.9569 7.9569 8.4647 8.4647 8.5247 8.5247 9.1547 9.1547 10.1098 10.1098 13.8890 13.8890 16.0039 16.0039 18.4347 18.4347 k = 0.5245 0.3840 0.0835 ( 1504 PWs) bands (ev): -8.8085 -8.8085 -8.6351 -8.6351 2.7735 2.7735 3.5220 3.5220 4.1091 4.1091 4.2663 4.2663 4.6268 4.6268 5.2550 5.2550 6.8122 6.8122 7.3377 7.3377 7.4934 7.4934 7.5415 7.5415 7.8909 7.8909 7.9777 7.9777 8.4633 8.4633 8.5297 8.5297 9.1697 9.1697 10.0433 10.0433 13.9649 13.9649 15.9178 15.9178 18.4754 18.4754 k = 0.5245 0.3840 0.0835 ( 1504 PWs) bands (ev): -8.8085 -8.8085 -8.6351 -8.6351 2.7735 2.7735 3.5220 3.5220 4.1091 4.1091 4.2663 4.2663 4.6268 4.6268 5.2550 5.2550 6.8122 6.8122 7.3377 7.3377 7.4934 7.4934 7.5415 7.5415 7.8909 7.8909 7.9777 7.9777 8.4633 8.4633 8.5297 8.5297 9.1697 9.1697 10.0433 10.0433 13.9649 13.9649 15.9178 15.9178 18.4754 18.4754 k = 0.5224 0.3825 0.0920 ( 1504 PWs) bands (ev): -8.8008 -8.8008 -8.6415 -8.6415 2.8073 2.8073 3.5118 3.5118 4.1251 4.1251 4.2579 4.2579 4.6034 4.6034 5.2052 5.2052 6.8314 6.8314 7.3181 7.3181 7.4980 7.4980 7.5406 7.5406 7.9231 7.9231 8.0005 8.0005 8.4623 8.4623 8.5393 8.5393 9.1740 9.1740 9.9919 9.9919 14.0357 14.0357 15.8506 15.8506 18.4781 18.4781 k = 0.5204 0.3810 0.1004 ( 1506 PWs) bands (ev): -8.7931 -8.7931 -8.6481 -8.6481 2.8425 2.8425 3.4993 3.4993 4.1395 4.1395 4.2497 4.2497 4.5848 4.5848 5.1559 5.1559 6.8512 6.8512 7.2975 7.2975 7.5022 7.5022 7.5397 7.5397 7.9540 7.9540 8.0232 8.0232 8.4598 8.4598 8.5485 8.5485 9.1812 9.1812 9.9404 9.9404 14.1089 14.1089 15.7792 15.7792 18.4871 18.4871 k = 0.5184 0.3795 0.1089 ( 1502 PWs) bands (ev): -8.7855 -8.7855 -8.6548 -8.6548 2.8788 2.8788 3.4842 3.4842 4.1518 4.1518 4.2416 4.2416 4.5719 4.5719 5.1073 5.1073 6.8717 6.8717 7.2763 7.2763 7.5060 7.5060 7.5387 7.5387 7.9832 7.9832 8.0455 8.0455 8.4570 8.4570 8.5559 8.5559 9.1919 9.1919 9.8889 9.8889 14.1843 14.1843 15.7042 15.7042 18.5020 18.5020 k = 0.5163 0.3780 0.1174 ( 1502 PWs) bands (ev): -8.7779 -8.7779 -8.6615 -8.6615 2.9162 2.9162 3.4664 3.4664 4.1617 4.1617 4.2337 4.2337 4.5654 4.5654 5.0595 5.0595 6.8925 6.8925 7.2546 7.2546 7.5094 7.5094 7.5377 7.5377 8.0101 8.0101 8.0672 8.0672 8.4545 8.4545 8.5607 8.5607 9.2062 9.2062 9.8376 9.8376 14.2619 14.2619 15.6260 15.6260 18.5221 18.5221 k = 0.5143 0.3765 0.1258 ( 1502 PWs) bands (ev): -8.7703 -8.7703 -8.6684 -8.6684 2.9544 2.9544 3.4458 3.4458 4.1690 4.1690 4.2261 4.2261 4.5658 4.5658 5.0125 5.0125 6.9137 6.9137 7.2323 7.2323 7.5125 7.5125 7.5367 7.5367 8.0347 8.0347 8.0876 8.0876 8.4530 8.4530 8.5625 8.5625 9.2244 9.2244 9.7866 9.7866 14.3414 14.3414 15.5450 15.5450 18.5470 18.5470 k = 0.5122 0.3750 0.1343 ( 1500 PWs) bands (ev): -8.7628 -8.7628 -8.6753 -8.6753 2.9934 2.9934 3.4223 3.4223 4.1741 4.1741 4.2189 4.2189 4.5728 4.5728 4.9666 4.9666 6.9353 6.9353 7.2097 7.2097 7.5153 7.5153 7.5356 7.5356 8.0569 8.0569 8.1061 8.1061 8.4532 8.4532 8.5612 8.5612 9.2466 9.2466 9.7361 9.7361 14.4227 14.4227 15.4617 15.4617 18.5761 18.5761 k = 0.5102 0.3735 0.1428 ( 1500 PWs) bands (ev): -8.7552 -8.7552 -8.6823 -8.6823 3.0329 3.0329 3.3960 3.3960 4.1774 4.1774 4.2121 4.2121 4.5860 4.5860 4.9219 4.9219 6.9572 6.9572 7.1869 7.1869 7.5178 7.5178 7.5345 7.5345 8.0767 8.0767 8.1217 8.1217 8.4556 8.4556 8.5567 8.5567 9.2728 9.2728 9.6862 9.6862 14.5056 14.5056 15.3766 15.3766 18.6089 18.6089 k = 0.5082 0.3720 0.1512 ( 1501 PWs) bands (ev): -8.7477 -8.7477 -8.6893 -8.6893 3.0727 3.0727 3.3670 3.3670 4.1795 4.1795 4.2058 4.2058 4.6049 4.6049 4.8784 4.8784 6.9795 6.9795 7.1638 7.1638 7.5202 7.5202 7.5333 7.5333 8.0943 8.0943 8.1337 8.1337 8.4604 8.4604 8.5494 8.5494 9.3027 9.3027 9.6371 9.6371 14.5900 14.5900 15.2901 15.2901 18.6450 18.6450 k = 0.5061 0.3706 0.1597 ( 1494 PWs) bands (ev): -8.7403 -8.7403 -8.6965 -8.6965 3.1125 3.1125 3.3356 3.3356 4.1812 4.1812 4.2001 4.2001 4.6285 4.6285 4.8364 4.8364 7.0021 7.0021 7.1406 7.1406 7.5224 7.5224 7.5321 7.5321 8.1097 8.1097 8.1416 8.1416 8.4679 8.4679 8.5397 8.5397 9.3361 9.3361 9.5891 9.5891 14.6756 14.6756 15.2026 15.2026 18.6836 18.6836 k = 0.5041 0.3691 0.1681 ( 1494 PWs) bands (ev): -8.7328 -8.7328 -8.7036 -8.7036 3.1521 3.1521 3.3019 3.3019 4.1828 4.1828 4.1952 4.1952 4.6561 4.6561 4.7960 4.7960 7.0248 7.0248 7.1173 7.1173 7.5243 7.5243 7.5308 7.5308 8.1227 8.1227 8.1453 8.1453 8.4777 8.4777 8.5282 8.5282 9.3725 9.3725 9.5422 9.5422 14.7622 14.7622 15.1145 15.1145 18.7245 18.7245 k = 0.5020 0.3676 0.1766 ( 1492 PWs) bands (ev): -8.7255 -8.7255 -8.7109 -8.7109 3.1912 3.1912 3.2664 3.2664 4.1849 4.1849 4.1910 4.1910 4.6872 4.6872 4.7575 4.7575 7.0478 7.0478 7.0941 7.0941 7.5262 7.5262 7.5294 7.5294 8.1331 8.1331 8.1448 8.1448 8.4894 8.4894 8.5154 8.5154 9.4117 9.4117 9.4969 9.4969 14.8497 14.8497 15.0261 15.0261 18.7671 18.7671 k = 0.5000 0.3661 0.1851 ( 1494 PWs) bands (ev): -8.7181 -8.7181 -8.7181 -8.7181 3.2294 3.2294 3.2294 3.2294 4.1876 4.1876 4.1876 4.1876 4.7211 4.7211 4.7211 4.7211 7.0708 7.0708 7.0709 7.0709 7.5277 7.5277 7.5279 7.5279 8.1405 8.1405 8.1407 8.1407 8.5022 8.5022 8.5023 8.5023 9.4532 9.4532 9.4533 9.4533 14.9378 14.9378 14.9378 14.9378 18.8109 18.8109 k = 0.5000 0.3661 0.1851 ( 1494 PWs) bands (ev): -8.7181 -8.7181 -8.7181 -8.7181 3.2294 3.2294 3.2294 3.2294 4.1876 4.1876 4.1876 4.1876 4.7211 4.7211 4.7211 4.7211 7.0708 7.0708 7.0709 7.0709 7.5277 7.5277 7.5279 7.5279 8.1405 8.1405 8.1407 8.1407 8.5022 8.5022 8.5023 8.5023 9.4532 9.4532 9.4533 9.4533 14.9378 14.9378 14.9378 14.9378 18.8109 18.8109 k = 0.5053 0.3588 0.1851 ( 1494 PWs) bands (ev): -8.7183 -8.7183 -8.7182 -8.7182 3.2297 3.2297 3.2301 3.2301 4.1865 4.1865 4.1872 4.1872 4.7206 4.7206 4.7215 4.7215 7.0705 7.0705 7.0720 7.0720 7.5254 7.5254 7.5300 7.5300 8.1397 8.1397 8.1406 8.1406 8.5005 8.5005 8.5026 8.5026 9.4523 9.4523 9.4556 9.4556 14.9389 14.9389 14.9398 14.9398 18.8109 18.8110 k = 0.5106 0.3516 0.1851 ( 1496 PWs) bands (ev): -8.7187 -8.7187 -8.7184 -8.7184 3.2309 3.2309 3.2318 3.2318 4.1840 4.1840 4.1854 4.1854 4.7200 4.7200 4.7217 4.7217 7.0708 7.0708 7.0738 7.0738 7.5227 7.5227 7.5320 7.5320 8.1380 8.1380 8.1397 8.1397 8.4973 8.4973 8.5016 8.5016 9.4528 9.4528 9.4593 9.4593 14.9431 14.9431 14.9449 14.9449 18.8109 18.8111 k = 0.5159 0.3443 0.1851 ( 1496 PWs) bands (ev): -8.7193 -8.7193 -8.7188 -8.7188 3.2332 3.2332 3.2345 3.2345 4.1801 4.1801 4.1821 4.1821 4.7194 4.7194 4.7218 4.7218 7.0718 7.0718 7.0763 7.0763 7.5198 7.5198 7.5337 7.5337 8.1354 8.1354 8.1381 8.1381 8.4929 8.4929 8.4992 8.4992 9.4546 9.4546 9.4643 9.4643 14.9505 14.9505 14.9531 14.9531 18.8110 18.8114 k = 0.5212 0.3371 0.1851 ( 1492 PWs) bands (ev): -8.7201 -8.7201 -8.7194 -8.7194 3.2365 3.2365 3.2382 3.2382 4.1748 4.1748 4.1775 4.1775 4.7187 4.7187 4.7219 4.7219 7.0736 7.0736 7.0795 7.0795 7.5168 7.5168 7.5353 7.5353 8.1319 8.1319 8.1356 8.1356 8.4872 8.4872 8.4957 8.4957 9.4576 9.4576 9.4706 9.4706 14.9609 14.9609 14.9643 14.9643 18.8111 18.8116 k = 0.5265 0.3298 0.1851 ( 1492 PWs) bands (ev): -8.7211 -8.7211 -8.7203 -8.7203 3.2407 3.2407 3.2428 3.2428 4.1681 4.1681 4.1714 4.1714 4.7179 4.7179 4.7218 4.7218 7.0760 7.0760 7.0833 7.0833 7.5135 7.5135 7.5365 7.5365 8.1276 8.1276 8.1324 8.1324 8.4804 8.4804 8.4911 8.4911 9.4617 9.4617 9.4779 9.4779 14.9742 14.9742 14.9785 14.9785 18.8115 18.8119 k = 0.5319 0.3226 0.1851 ( 1494 PWs) bands (ev): -8.7223 -8.7223 -8.7213 -8.7213 3.2459 3.2459 3.2485 3.2485 4.1600 4.1600 4.1638 4.1638 4.7171 4.7171 4.7217 4.7217 7.0791 7.0791 7.0877 7.0877 7.5100 7.5100 7.5376 7.5376 8.1224 8.1224 8.1286 8.1286 8.4726 8.4726 8.4856 8.4856 9.4667 9.4667 9.4860 9.4860 14.9904 14.9904 14.9955 14.9955 18.8120 18.8124 k = 0.5372 0.3153 0.1851 ( 1496 PWs) bands (ev): -8.7237 -8.7237 -8.7226 -8.7226 3.2520 3.2520 3.2551 3.2551 4.1506 4.1506 4.1549 4.1549 4.7163 4.7163 4.7215 4.7215 7.0828 7.0828 7.0927 7.0927 7.5064 7.5064 7.5383 7.5383 8.1165 8.1165 8.1241 8.1241 8.4640 8.4640 8.4793 8.4793 9.4725 9.4725 9.4949 9.4949 15.0093 15.0093 15.0151 15.0151 18.8126 18.8131 k = 0.5425 0.3081 0.1851 ( 1498 PWs) bands (ev): -8.7253 -8.7253 -8.7241 -8.7241 3.2591 3.2591 3.2626 3.2626 4.1398 4.1398 4.1445 4.1445 4.7157 4.7157 4.7213 4.7213 7.0872 7.0872 7.0981 7.0981 7.5026 7.5026 7.5389 7.5389 8.1099 8.1099 8.1190 8.1190 8.4547 8.4547 8.4724 8.4724 9.4789 9.4789 9.5044 9.5044 15.0308 15.0308 15.0372 15.0372 18.8130 18.8138 k = 0.5478 0.3008 0.1851 ( 1498 PWs) bands (ev): -8.7272 -8.7272 -8.7258 -8.7258 3.2672 3.2672 3.2711 3.2711 4.1278 4.1278 4.1328 4.1328 4.7151 4.7151 4.7211 4.7211 7.0922 7.0922 7.1042 7.1042 7.4987 7.4987 7.5393 7.5393 8.1028 8.1028 8.1135 8.1135 8.4449 8.4449 8.4650 8.4650 9.4855 9.4855 9.5141 9.5141 15.0546 15.0546 15.0617 15.0617 18.8144 18.8147 k = 0.5531 0.2936 0.1851 ( 1496 PWs) bands (ev): -8.7292 -8.7292 -8.7277 -8.7277 3.2761 3.2761 3.2805 3.2805 4.1145 4.1145 4.1198 4.1198 4.7146 4.7146 4.7210 4.7210 7.0979 7.0979 7.1106 7.1106 7.4947 7.4947 7.5394 7.5394 8.0951 8.0951 8.1076 8.1076 8.4347 8.4347 8.4573 8.4573 9.4924 9.4924 9.5240 9.5240 15.0806 15.0806 15.0883 15.0883 18.8153 18.8162 k = 0.5584 0.2863 0.1851 ( 1500 PWs) bands (ev): -8.7316 -8.7316 -8.7299 -8.7299 3.2859 3.2859 3.2908 3.2908 4.1000 4.1000 4.1055 4.1055 4.7143 4.7143 4.7209 4.7209 7.1040 7.1040 7.1175 7.1175 7.4906 7.4906 7.5393 7.5393 8.0869 8.0869 8.1013 8.1013 8.4242 8.4242 8.4494 8.4494 9.4992 9.4992 9.5338 9.5338 15.1086 15.1086 15.1168 15.1168 18.8169 18.8178 k = 0.5637 0.2791 0.1851 ( 1500 PWs) bands (ev): -8.7341 -8.7341 -8.7323 -8.7323 3.2966 3.2966 3.3019 3.3019 4.0844 4.0844 4.0900 4.0900 4.7143 4.7143 4.7210 4.7210 7.1106 7.1106 7.1246 7.1246 7.4865 7.4865 7.5390 7.5390 8.0785 8.0785 8.0948 8.0948 8.4136 8.4136 8.4413 8.4413 9.5059 9.5059 9.5435 9.5435 15.1383 15.1383 15.1470 15.1470 18.8185 18.8198 k = 0.5690 0.2718 0.1851 ( 1502 PWs) bands (ev): -8.7369 -8.7369 -8.7349 -8.7349 3.3082 3.3082 3.3140 3.3140 4.0677 4.0677 4.0734 4.0734 4.7144 4.7144 4.7212 4.7212 7.1177 7.1177 7.1320 7.1320 7.4825 7.4825 7.5384 7.5384 8.0700 8.0700 8.0881 8.0881 8.4030 8.4030 8.4332 8.4332 9.5121 9.5121 9.5527 9.5527 15.1696 15.1696 15.1786 15.1786 18.8211 18.8216 k = 0.5743 0.2646 0.1851 ( 1502 PWs) bands (ev): -8.7400 -8.7400 -8.7379 -8.7379 3.3206 3.3206 3.3268 3.3268 4.0500 4.0500 4.0557 4.0557 4.7148 4.7148 4.7217 4.7217 7.1253 7.1253 7.1397 7.1397 7.4785 7.4785 7.5377 7.5377 8.0614 8.0614 8.0815 8.0815 8.3923 8.3923 8.4252 8.4252 9.5179 9.5179 9.5615 9.5615 15.2020 15.2020 15.2113 15.2113 18.8238 18.8246 k = 0.5796 0.2573 0.1851 ( 1498 PWs) bands (ev): -8.7433 -8.7433 -8.7411 -8.7411 3.3337 3.3337 3.3405 3.3405 4.0313 4.0313 4.0370 4.0370 4.7154 4.7154 4.7223 4.7223 7.1333 7.1333 7.1474 7.1474 7.4747 7.4747 7.5367 7.5367 8.0529 8.0529 8.0749 8.0749 8.3818 8.3818 8.4173 8.4173 9.5231 9.5231 9.5697 9.5697 15.2354 15.2354 15.2450 15.2450 18.8274 18.8277 k = 0.5849 0.2501 0.1851 ( 1500 PWs) bands (ev): -8.7470 -8.7470 -8.7446 -8.7446 3.3476 3.3476 3.3549 3.3549 4.0118 4.0118 4.0173 4.0173 4.7164 4.7164 4.7232 4.7232 7.1415 7.1415 7.1553 7.1553 7.4710 7.4710 7.5355 7.5355 8.0445 8.0445 8.0683 8.0683 8.3715 8.3715 8.4095 8.4095 9.5275 9.5275 9.5771 9.5771 15.2695 15.2695 15.2792 15.2792 18.8311 18.8321 k = 0.5902 0.2428 0.1851 ( 1502 PWs) bands (ev): -8.7509 -8.7509 -8.7483 -8.7483 3.3623 3.3623 3.3701 3.3701 3.9916 3.9916 3.9969 3.9969 4.7177 4.7177 4.7244 4.7244 7.1501 7.1501 7.1631 7.1631 7.4676 7.4676 7.5341 7.5341 8.0364 8.0364 8.0618 8.0618 8.3612 8.3612 8.4018 8.4018 9.5311 9.5311 9.5837 9.5837 15.3040 15.3040 15.3138 15.3138 18.8357 18.8369 k = 0.5956 0.2356 0.1851 ( 1504 PWs) bands (ev): -8.7551 -8.7551 -8.7524 -8.7524 3.3776 3.3776 3.3860 3.3860 3.9707 3.9707 3.9758 3.9758 4.7192 4.7192 4.7258 4.7258 7.1589 7.1589 7.1708 7.1708 7.4644 7.4644 7.5325 7.5325 8.0287 8.0287 8.0555 8.0555 8.3513 8.3513 8.3942 8.3942 9.5339 9.5339 9.5895 9.5895 15.3386 15.3386 15.3485 15.3485 18.8417 18.8422 k = 0.6009 0.2283 0.1851 ( 1506 PWs) bands (ev): -8.7596 -8.7596 -8.7568 -8.7568 3.3935 3.3935 3.4026 3.4026 3.9492 3.9492 3.9541 3.9541 4.7211 4.7211 4.7275 4.7275 7.1679 7.1679 7.1784 7.1784 7.4616 7.4616 7.5307 7.5307 8.0214 8.0214 8.0495 8.0495 8.3416 8.3416 8.3869 8.3869 9.5358 9.5358 9.5943 9.5943 15.3730 15.3730 15.3829 15.3829 18.8479 18.8486 k = 0.6062 0.2211 0.1851 ( 1506 PWs) bands (ev): -8.7644 -8.7644 -8.7615 -8.7615 3.4101 3.4101 3.4198 3.4198 3.9274 3.9274 3.9319 3.9319 4.7234 4.7234 4.7296 4.7296 7.1772 7.1772 7.1858 7.1858 7.4593 7.4593 7.5288 7.5288 8.0148 8.0148 8.0437 8.0437 8.3322 8.3322 8.3797 8.3797 9.5366 9.5366 9.5981 9.5981 15.4070 15.4070 15.4168 15.4168 18.8554 18.8558 k = 0.6115 0.2138 0.1851 ( 1508 PWs) bands (ev): -8.7695 -8.7695 -8.7665 -8.7665 3.4271 3.4271 3.4376 3.4376 3.9053 3.9053 3.9094 3.9094 4.7260 4.7260 4.7320 4.7320 7.1865 7.1865 7.1929 7.1929 7.4573 7.4573 7.5266 7.5266 8.0086 8.0086 8.0382 8.0382 8.3231 8.3231 8.3727 8.3727 9.5366 9.5366 9.6009 9.6009 15.4403 15.4403 15.4499 15.4499 18.8639 18.8644 k = 0.6168 0.2066 0.1851 ( 1506 PWs) bands (ev): -8.7750 -8.7750 -8.7718 -8.7718 3.4447 3.4447 3.4559 3.4559 3.8831 3.8831 3.8866 3.8866 4.7290 4.7290 4.7348 4.7348 7.1960 7.1960 7.1997 7.1997 7.4558 7.4558 7.5243 7.5243 8.0031 8.0031 8.0331 8.0331 8.3145 8.3145 8.3660 8.3660 9.5355 9.5355 9.6028 9.6028 15.4727 15.4727 15.4820 15.4820 18.8735 18.8741 k = 0.6221 0.1993 0.1851 ( 1506 PWs) bands (ev): -8.7808 -8.7808 -8.7775 -8.7775 3.4626 3.4626 3.4747 3.4747 3.8609 3.8609 3.8638 3.8638 4.7322 4.7322 4.7379 4.7379 7.2055 7.2055 7.2062 7.2062 7.4548 7.4548 7.5218 7.5218 7.9982 7.9982 8.0281 8.0281 8.3062 8.3062 8.3594 8.3594 9.5335 9.5335 9.6036 9.6036 15.5038 15.5038 15.5128 15.5128 18.8847 18.8848 k = 0.6274 0.1921 0.1851 ( 1506 PWs) bands (ev): -8.7869 -8.7869 -8.7835 -8.7835 3.4807 3.4807 3.4938 3.4938 3.8389 3.8389 3.8411 3.8411 4.7359 4.7359 4.7414 4.7414 7.2122 7.2122 7.2150 7.2150 7.4543 7.4543 7.5191 7.5191 7.9940 7.9940 8.0235 8.0235 8.2984 8.2984 8.3531 8.3531 9.5305 9.5305 9.6035 9.6035 15.5335 15.5335 15.5422 15.5422 18.8968 18.8971 k = 0.6327 0.1848 0.1851 ( 1504 PWs) bands (ev): -8.7934 -8.7934 -8.7899 -8.7899 3.4989 3.4989 3.5132 3.5132 3.8174 3.8174 3.8187 3.8187 4.7399 4.7399 4.7452 4.7452 7.2178 7.2178 7.2246 7.2246 7.4542 7.4542 7.5163 7.5163 7.9905 7.9905 8.0192 8.0192 8.2911 8.2911 8.3471 8.3471 9.5265 9.5265 9.6023 9.6023 15.5616 15.5616 15.5699 15.5699 18.9104 18.9107 k = 0.3673-0.5017 0.2866 ( 1504 PWs) bands (ev): -8.7934 -8.7934 -8.7899 -8.7899 3.4989 3.4989 3.5132 3.5132 3.8174 3.8174 3.8187 3.8187 4.7399 4.7399 4.7452 4.7452 7.2178 7.2178 7.2246 7.2246 7.4542 7.4542 7.5163 7.5163 7.9905 7.9905 8.0192 8.0192 8.2911 8.2911 8.3471 8.3471 9.5265 9.5265 9.6023 9.6023 15.5616 15.5616 15.5699 15.5699 18.9105 18.9107 k = 0.3619-0.4943 0.2866 ( 1504 PWs) bands (ev): -8.8004 -8.8004 -8.7968 -8.7968 3.5173 3.5173 3.5331 3.5331 3.7964 3.7964 3.7965 3.7965 4.7443 4.7443 4.7496 4.7496 7.2230 7.2230 7.2342 7.2342 7.4546 7.4546 7.5131 7.5131 7.9875 7.9875 8.0150 8.0150 8.2841 8.2841 8.3412 8.3412 9.5216 9.5216 9.6001 9.6001 15.5884 15.5884 15.5962 15.5962 18.9259 18.9260 k = 0.3565-0.4869 0.2866 ( 1502 PWs) bands (ev): -8.8077 -8.8077 -8.8041 -8.8041 3.5351 3.5351 3.5527 3.5527 3.7753 3.7753 3.7767 3.7767 4.7492 4.7492 4.7543 4.7543 7.2277 7.2277 7.2438 7.2438 7.4554 7.4554 7.5098 7.5098 7.9852 7.9852 8.0111 8.0111 8.2778 8.2778 8.3355 8.3355 9.5157 9.5157 9.5970 9.5970 15.6132 15.6132 15.6205 15.6205 18.9428 18.9428 k = 0.3511-0.4795 0.2866 ( 1500 PWs) bands (ev): -8.8155 -8.8155 -8.8117 -8.8117 3.5517 3.5517 3.5716 3.5716 3.7555 3.7555 3.7589 3.7589 4.7544 4.7544 4.7594 4.7594 7.2320 7.2320 7.2532 7.2532 7.4566 7.4566 7.5062 7.5062 7.9835 7.9835 8.0073 8.0073 8.2721 8.2721 8.3302 8.3302 9.5091 9.5091 9.5931 9.5931 15.6358 15.6358 15.6425 15.6425 18.9612 18.9613 k = 0.3457-0.4722 0.2866 ( 1500 PWs) bands (ev): -8.8236 -8.8236 -8.8198 -8.8198 3.5661 3.5661 3.5887 3.5887 3.7384 3.7384 3.7443 3.7443 4.7599 4.7599 4.7649 4.7649 7.2357 7.2357 7.2625 7.2625 7.4580 7.4580 7.5024 7.5024 7.9822 7.9822 8.0037 8.0037 8.2671 8.2671 8.3252 8.3252 9.5018 9.5018 9.5882 9.5882 15.6561 15.6561 15.6623 15.6623 18.9813 18.9814 k = 0.3403-0.4648 0.2866 ( 1500 PWs) bands (ev): -8.8322 -8.8322 -8.8282 -8.8282 3.5768 3.5768 3.6023 3.6023 3.7258 3.7258 3.7343 3.7343 4.7658 4.7658 4.7708 4.7708 7.2390 7.2390 7.2716 7.2716 7.4597 7.4597 7.4983 7.4983 7.9815 7.9815 8.0001 8.0001 8.2627 8.2627 8.3205 8.3205 9.4938 9.4938 9.5827 9.5827 15.6742 15.6742 15.6797 15.6797 19.0030 19.0033 k = 0.3349-0.4574 0.2866 ( 1500 PWs) bands (ev): -8.8411 -8.8411 -8.8371 -8.8371 3.5820 3.5820 3.6095 3.6095 3.7207 3.7207 3.7307 3.7307 4.7721 4.7721 4.7771 4.7771 7.2418 7.2418 7.2805 7.2805 7.4614 7.4614 7.4940 7.4940 7.9811 7.9811 7.9966 7.9966 8.2591 8.2591 8.3163 8.3163 9.4852 9.4852 9.5764 9.5764 15.6899 15.6899 15.6948 15.6948 19.0262 19.0270 k = 0.3295-0.4500 0.2866 ( 1502 PWs) bands (ev): -8.8504 -8.8504 -8.8463 -8.8463 3.5809 3.5809 3.6081 3.6081 3.7252 3.7252 3.7346 3.7346 4.7787 4.7787 4.7838 4.7838 7.2441 7.2441 7.2890 7.2890 7.4633 7.4633 7.4894 7.4894 7.9811 7.9811 7.9932 7.9932 8.2562 8.2562 8.3124 8.3124 9.4762 9.4762 9.5696 9.5696 15.7031 15.7031 15.7074 15.7074 19.0513 19.0517 k = 0.3241-0.4426 0.2866 ( 1504 PWs) bands (ev): -8.8602 -8.8602 -8.8560 -8.8560 3.5741 3.5741 3.5995 3.5995 3.7380 3.7380 3.7452 3.7452 4.7856 4.7856 4.7909 4.7909 7.2459 7.2459 7.2972 7.2972 7.4650 7.4650 7.4845 7.4845 7.9813 7.9813 7.9897 7.9897 8.2541 8.2541 8.3089 8.3089 9.4668 9.4668 9.5622 9.5622 15.7140 15.7140 15.7175 15.7175 19.0777 19.0783 k = 0.3187-0.4353 0.2866 ( 1508 PWs) bands (ev): -8.8703 -8.8703 -8.8661 -8.8661 3.5636 3.5636 3.5868 3.5868 3.7560 3.7560 3.7608 3.7608 4.7929 4.7929 4.7984 4.7984 7.2472 7.2472 7.3050 7.3050 7.4668 7.4668 7.4794 7.4794 7.9816 7.9816 7.9862 7.9862 8.2527 8.2527 8.3058 8.3058 9.4573 9.4573 9.5545 9.5545 15.7224 15.7224 15.7253 15.7253 19.1058 19.1071 k = 0.3133-0.4279 0.2866 ( 1506 PWs) bands (ev): -8.8808 -8.8808 -8.8766 -8.8766 3.5509 3.5509 3.5724 3.5724 3.7771 3.7771 3.7798 3.7798 4.8005 4.8005 4.8062 4.8062 7.2480 7.2480 7.3123 7.3123 7.4684 7.4684 7.4741 7.4741 7.9821 7.9821 7.9828 7.9828 8.2521 8.2521 8.3033 8.3033 9.4477 9.4477 9.5465 9.5465 15.7285 15.7285 15.7307 15.7307 19.1355 19.1366 k = 0.3079-0.4205 0.2866 ( 1504 PWs) bands (ev): -8.8918 -8.8918 -8.8875 -8.8875 3.5372 3.5372 3.5574 3.5574 3.8000 3.8000 3.8010 3.8010 4.8085 4.8085 4.8144 4.8144 7.2483 7.2483 7.3191 7.3191 7.4686 7.4686 7.4699 7.4699 7.9793 7.9793 7.9826 7.9826 8.2523 8.2523 8.3013 8.3013 9.4381 9.4381 9.5384 9.5384 15.7322 15.7322 15.7338 15.7338 19.1668 19.1676 k = 0.3025-0.4131 0.2866 ( 1502 PWs) bands (ev): -8.9031 -8.9031 -8.8987 -8.8987 3.5233 3.5233 3.5426 3.5426 3.8238 3.8238 3.8240 3.8240 4.8167 4.8167 4.8230 4.8230 7.2480 7.2480 7.3251 7.3251 7.4631 7.4631 7.4711 7.4711 7.9759 7.9759 7.9830 7.9830 8.2531 8.2531 8.2998 8.2998 9.4288 9.4288 9.5302 9.5302 15.7337 15.7337 15.7346 15.7346 19.1998 19.2017 k = 0.2971-0.4058 0.2866 ( 1502 PWs) bands (ev): -8.9148 -8.9148 -8.9104 -8.9104 3.5096 3.5096 3.5282 3.5282 3.8477 3.8477 3.8489 3.8489 4.8253 4.8253 4.8318 4.8318 7.2471 7.2471 7.3303 7.3303 7.4576 7.4576 7.4721 7.4721 7.9724 7.9724 7.9831 7.9831 8.2545 8.2545 8.2987 8.2987 9.4197 9.4197 9.5221 9.5221 15.7328 15.7328 15.7331 15.7331 19.2340 19.2359 k = 0.2917-0.3984 0.2866 ( 1502 PWs) bands (ev): -8.9269 -8.9269 -8.9225 -8.9225 3.4964 3.4964 3.5146 3.5146 3.8724 3.8724 3.8744 3.8744 4.8341 4.8341 4.8411 4.8411 7.2455 7.2455 7.3343 7.3343 7.4525 7.4525 7.4730 7.4730 7.9689 7.9689 7.9830 7.9830 8.2565 8.2565 8.2982 8.2982 9.4111 9.4111 9.5141 9.5141 15.7294 15.7294 15.7298 15.7298 19.2698 19.2698 k = 0.2863-0.3910 0.2866 ( 1504 PWs) bands (ev): -8.9394 -8.9394 -8.9349 -8.9349 3.4839 3.4839 3.5018 3.5018 3.8978 3.8978 3.9004 3.9004 4.8432 4.8432 4.8506 4.8506 7.2431 7.2431 7.3368 7.3368 7.4478 7.4478 7.4735 7.4735 7.9654 7.9654 7.9826 7.9826 8.2590 8.2590 8.2981 8.2981 9.4031 9.4031 9.5065 9.5065 15.7236 15.7236 15.7246 15.7246 19.3072 19.3074 k = 0.2809-0.3836 0.2866 ( 1500 PWs) bands (ev): -8.9522 -8.9522 -8.9478 -8.9478 3.4723 3.4723 3.4900 3.4900 3.9238 3.9238 3.9268 3.9268 4.8526 4.8526 4.8604 4.8604 7.2400 7.2400 7.3377 7.3377 7.4440 7.4440 7.4740 7.4740 7.9620 7.9620 7.9818 7.9818 8.2620 8.2620 8.2985 8.2985 9.3959 9.3959 9.4994 9.4994 15.7157 15.7157 15.7173 15.7173 19.3460 19.3460 k = 0.2755-0.3762 0.2866 ( 1498 PWs) bands (ev): -8.9654 -8.9654 -8.9609 -8.9609 3.4615 3.4615 3.4793 3.4793 3.9502 3.9502 3.9536 3.9536 4.8622 4.8622 4.8706 4.8706 7.2360 7.2360 7.3365 7.3365 7.4412 7.4412 7.4742 7.4742 7.9586 7.9586 7.9804 7.9804 8.2652 8.2652 8.2993 8.2993 9.3896 9.3896 9.4929 9.4929 15.7058 15.7058 15.7080 15.7080 19.3865 19.3871 k = 0.2701-0.3689 0.2866 ( 1494 PWs) bands (ev): -8.9789 -8.9789 -8.9744 -8.9744 3.4518 3.4518 3.4696 3.4696 3.9771 3.9771 3.9807 3.9807 4.8720 4.8720 4.8809 4.8809 7.2312 7.2312 7.3333 7.3333 7.4397 7.4397 7.4744 7.4744 7.9552 7.9552 7.9786 7.9786 8.2688 8.2688 8.3004 8.3004 9.3843 9.3843 9.4870 9.4870 15.6939 15.6939 15.6965 15.6965 19.4285 19.4286 k = 0.2647-0.3615 0.2866 ( 1496 PWs) bands (ev): -8.9928 -8.9928 -8.9883 -8.9883 3.4431 3.4431 3.4610 3.4610 4.0043 4.0043 4.0080 4.0080 4.8820 4.8820 4.8915 4.8915 7.2255 7.2255 7.3279 7.3279 7.4392 7.4392 7.4744 7.4744 7.9518 7.9518 7.9762 7.9762 8.2724 8.2724 8.3019 8.3019 9.3802 9.3802 9.4820 9.4820 15.6799 15.6799 15.6831 15.6831 19.4721 19.4723 k = 0.2593-0.3541 0.2866 ( 1496 PWs) bands (ev): -9.0069 -9.0069 -9.0024 -9.0024 3.4354 3.4354 3.4536 3.4536 4.0318 4.0318 4.0356 4.0356 4.8923 4.8923 4.9024 4.9024 7.2188 7.2188 7.3206 7.3206 7.4399 7.4399 7.4743 7.4743 7.9484 7.9484 7.9732 7.9732 8.2761 8.2761 8.3035 8.3035 9.3773 9.3773 9.4779 9.4779 15.6640 15.6640 15.6676 15.6676 19.5172 19.5202 k = 0.2539-0.3467 0.2866 ( 1494 PWs) bands (ev): -9.0214 -9.0214 -9.0169 -9.0169 3.4288 3.4288 3.4472 3.4472 4.0596 4.0596 4.0634 4.0634 4.9028 4.9028 4.9135 4.9135 7.2114 7.2114 7.3115 7.3115 7.4414 7.4414 7.4741 7.4741 7.9450 7.9450 7.9696 7.9696 8.2798 8.2798 8.3054 8.3054 9.3758 9.3758 9.4748 9.4748 15.6461 15.6461 15.6501 15.6501 19.5639 19.5679 k = 0.2485-0.3394 0.2866 ( 1494 PWs) bands (ev): -9.0361 -9.0361 -9.0316 -9.0316 3.4232 3.4232 3.4420 3.4420 4.0877 4.0877 4.0913 4.0913 4.9135 4.9135 4.9249 4.9249 7.2030 7.2030 7.3010 7.3010 7.4433 7.4433 7.4739 7.4739 7.9416 7.9416 7.9655 7.9655 8.2834 8.2834 8.3074 8.3074 9.3757 9.3757 9.4729 9.4729 15.6263 15.6263 15.6306 15.6306 19.6123 19.6161 k = 0.2431-0.3320 0.2866 ( 1494 PWs) bands (ev): -9.0511 -9.0511 -9.0466 -9.0466 3.4187 3.4187 3.4378 3.4378 4.1160 4.1160 4.1194 4.1194 4.9244 4.9244 4.9364 4.9364 7.1937 7.1937 7.2892 7.2892 7.4457 7.4457 7.4736 7.4736 7.9382 7.9382 7.9607 7.9607 8.2869 8.2869 8.3094 8.3094 9.3772 9.3772 9.4722 9.4722 15.6045 15.6045 15.6091 15.6091 19.6624 19.6624 k = 0.2377-0.3246 0.2866 ( 1492 PWs) bands (ev): -9.0663 -9.0663 -9.0618 -9.0618 3.4153 3.4153 3.4348 3.4348 4.1444 4.1444 4.1476 4.1476 4.9355 4.9355 4.9481 4.9481 7.1837 7.1837 7.2764 7.2764 7.4482 7.4482 7.4733 7.4733 7.9348 7.9348 7.9554 7.9554 8.2902 8.2902 8.3115 8.3115 9.3803 9.3803 9.4729 9.4729 15.5807 15.5807 15.5856 15.5856 19.7144 19.7191 k = 0.2323-0.3172 0.2866 ( 1488 PWs) bands (ev): -9.0817 -9.0817 -9.0773 -9.0773 3.4129 3.4129 3.4328 3.4328 4.1730 4.1730 4.1759 4.1759 4.9469 4.9469 4.9601 4.9601 7.1729 7.1729 7.2628 7.2628 7.4508 7.4508 7.4729 7.4729 7.9313 7.9313 7.9495 7.9495 8.2932 8.2932 8.3135 8.3135 9.3850 9.3850 9.4749 9.4749 15.5550 15.5550 15.5601 15.5601 19.7680 19.7680 k = 0.2269-0.3098 0.2866 ( 1486 PWs) bands (ev): -9.0973 -9.0973 -9.0929 -9.0929 3.4115 3.4115 3.4319 3.4319 4.2017 4.2017 4.2041 4.2041 4.9585 4.9585 4.9724 4.9724 7.1615 7.1615 7.2486 7.2486 7.4532 7.4532 7.4724 7.4724 7.9277 7.9277 7.9431 7.9431 8.2959 8.2959 8.3155 8.3155 9.3913 9.3913 9.4782 9.4782 15.5273 15.5273 15.5326 15.5326 19.8237 19.8242 k = 0.2215-0.3025 0.2866 ( 1484 PWs) bands (ev): -9.1130 -9.1130 -9.1087 -9.1087 3.4111 3.4111 3.4319 3.4319 4.2304 4.2304 4.2322 4.2322 4.9704 4.9704 4.9848 4.9848 7.1495 7.1495 7.2338 7.2338 7.4555 7.4555 7.4717 7.4717 7.9240 7.9240 7.9362 7.9362 8.2983 8.2983 8.3173 8.3173 9.3992 9.3992 9.4830 9.4830 15.4976 15.4976 15.5029 15.5029 19.8812 19.8866 k = 0.2161-0.2951 0.2866 ( 1486 PWs) bands (ev): -9.1289 -9.1289 -9.1247 -9.1247 3.4116 3.4116 3.4329 3.4329 4.2590 4.2590 4.2602 4.2602 4.9826 4.9826 4.9975 4.9975 7.1371 7.1371 7.2186 7.2186 7.4575 7.4575 7.4709 7.4709 7.9202 7.9202 7.9287 7.9287 8.3003 8.3003 8.3189 8.3189 9.4087 9.4087 9.4892 9.4892 15.4658 15.4658 15.4712 15.4712 19.9404 19.9404 k = 0.2107-0.2877 0.2866 ( 1482 PWs) bands (ev): -9.1450 -9.1450 -9.1407 -9.1407 3.4131 3.4131 3.4348 3.4348 4.2874 4.2874 4.2880 4.2880 4.9951 4.9951 5.0106 5.0106 7.1243 7.1243 7.2032 7.2032 7.4593 7.4593 7.4701 7.4701 7.9162 7.9162 7.9209 7.9209 8.3020 8.3020 8.3203 8.3203 9.4198 9.4198 9.4969 9.4969 15.4320 15.4320 15.4375 15.4375 20.0018 20.0018 k = 0.2053-0.2803 0.2866 ( 1482 PWs) bands (ev): -9.1610 -9.1610 -9.1569 -9.1569 3.4154 3.4154 3.4376 3.4376 4.3154 4.3154 4.3157 4.3157 5.0081 5.0081 5.0240 5.0240 7.1112 7.1112 7.1876 7.1876 7.4607 7.4607 7.4690 7.4690 7.9121 7.9121 7.9127 7.9127 8.3033 8.3033 8.3216 8.3216 9.4323 9.4323 9.5059 9.5059 15.3962 15.3962 15.4016 15.4016 20.0651 20.0651 k = 0.1998-0.2730 0.2866 ( 1484 PWs) bands (ev): -9.1772 -9.1772 -9.1731 -9.1731 3.4185 3.4185 3.4412 3.4412 4.3424 4.3424 4.3436 4.3436 5.0216 5.0216 5.0378 5.0378 7.0980 7.0980 7.1718 7.1718 7.4617 7.4617 7.4677 7.4677 7.9040 7.9040 7.9077 7.9077 8.3042 8.3042 8.3226 8.3226 9.4463 9.4463 9.5164 9.5164 15.3584 15.3584 15.3637 15.3637 20.1304 20.1304 k = 0.1944-0.2656 0.2866 ( 1486 PWs) bands (ev): -9.1934 -9.1934 -9.1893 -9.1893 3.4223 3.4223 3.4456 3.4456 4.3688 4.3688 4.3710 4.3710 5.0357 5.0357 5.0521 5.0521 7.0846 7.0846 7.1561 7.1561 7.4625 7.4625 7.4663 7.4663 7.8950 7.8950 7.9031 7.9031 8.3047 8.3047 8.3234 8.3234 9.4617 9.4617 9.5281 9.5281 15.3185 15.3185 15.3237 15.3237 20.1976 20.1976 k = 0.1890-0.2582 0.2866 ( 1492 PWs) bands (ev): -9.2096 -9.2096 -9.2056 -9.2056 3.4269 3.4269 3.4506 3.4506 4.3945 4.3945 4.3978 4.3978 5.0504 5.0504 5.0669 5.0669 7.0713 7.0713 7.1405 7.1405 7.4628 7.4628 7.4645 7.4645 7.8857 7.8857 7.8983 7.8983 8.3049 8.3049 8.3240 8.3240 9.4783 9.4783 9.5411 9.5411 15.2767 15.2767 15.2817 15.2817 20.2668 20.2668 k = 0.1836-0.2508 0.2866 ( 1492 PWs) bands (ev): -9.2257 -9.2257 -9.2218 -9.2218 3.4322 3.4322 3.4564 3.4564 4.4193 4.4193 4.4240 4.4240 5.0660 5.0660 5.0824 5.0824 7.0581 7.0581 7.1252 7.1252 7.4627 7.4627 7.4628 7.4628 7.8763 7.8763 7.8933 7.8933 8.3048 8.3048 8.3244 8.3244 9.4962 9.4962 9.5553 9.5553 15.2329 15.2329 15.2377 15.2377 20.3378 20.3378 k = 0.1782-0.2435 0.2866 ( 1492 PWs) bands (ev): -9.2418 -9.2418 -9.2379 -9.2379 3.4382 3.4382 3.4628 3.4628 4.4432 4.4432 4.4492 4.4492 5.0824 5.0824 5.0986 5.0986 7.0451 7.0451 7.1101 7.1101 7.4607 7.4607 7.4625 7.4625 7.8665 7.8665 7.8880 7.8880 8.3044 8.3044 8.3246 8.3246 9.5151 9.5151 9.5706 9.5706 15.1872 15.1872 15.1918 15.1918 20.4105 20.4179 k = 0.1728-0.2361 0.2866 ( 1492 PWs) bands (ev): -9.2578 -9.2578 -9.2540 -9.2540 3.4447 3.4447 3.4698 3.4698 4.4659 4.4659 4.4735 4.4735 5.0998 5.0998 5.1157 5.1157 7.0324 7.0324 7.0954 7.0954 7.4585 7.4585 7.4618 7.4618 7.8566 7.8566 7.8824 7.8824 8.3038 8.3038 8.3246 8.3246 9.5350 9.5350 9.5870 9.5870 15.1397 15.1397 15.1440 15.1440 20.4847 20.4847 k = 0.1674-0.2287 0.2866 ( 1492 PWs) bands (ev): -9.2737 -9.2737 -9.2700 -9.2700 3.4518 3.4518 3.4773 3.4773 4.4873 4.4873 4.4965 4.4965 5.1182 5.1182 5.1337 5.1337 7.0201 7.0201 7.0812 7.0812 7.4562 7.4562 7.4609 7.4609 7.8466 7.8466 7.8766 7.8766 8.3030 8.3030 8.3244 8.3244 9.5557 9.5557 9.6043 9.6043 15.0904 15.0904 15.0944 15.0944 20.5603 20.5603 k = 0.1620-0.2213 0.2866 ( 1490 PWs) bands (ev): -9.2894 -9.2894 -9.2858 -9.2858 3.4594 3.4594 3.4852 3.4852 4.5073 4.5073 4.5181 4.5181 5.1379 5.1379 5.1527 5.1527 7.0083 7.0083 7.0675 7.0675 7.4536 7.4536 7.4596 7.4596 7.8364 7.8364 7.8704 7.8704 8.3021 8.3021 8.3241 8.3241 9.5773 9.5773 9.6225 9.6225 15.0395 15.0395 15.0432 15.0432 20.6369 20.6441 k = 0.1566-0.2139 0.2866 ( 1492 PWs) bands (ev): -9.3050 -9.3050 -9.3014 -9.3014 3.4674 3.4674 3.4936 3.4936 4.5257 4.5257 4.5383 4.5383 5.1587 5.1587 5.1728 5.1728 6.9970 6.9970 7.0544 7.0544 7.4510 7.4510 7.4581 7.4581 7.8260 7.8260 7.8639 7.8639 8.3009 8.3009 8.3235 8.3235 9.5995 9.5995 9.6414 9.6414 14.9870 14.9870 14.9903 14.9903 20.7141 20.7141 k = 0.1512-0.2066 0.2866 ( 1492 PWs) bands (ev): -9.3203 -9.3203 -9.3169 -9.3169 3.4757 3.4757 3.5023 3.5023 4.5424 4.5424 4.5569 4.5569 5.1808 5.1808 5.1940 5.1940 6.9864 6.9864 7.0421 7.0421 7.4482 7.4482 7.4562 7.4562 7.8157 7.8157 7.8571 7.8571 8.2996 8.2996 8.3229 8.3229 9.6223 9.6223 9.6610 9.6610 14.9331 14.9331 14.9360 14.9360 20.7915 20.7915 k = 0.1458-0.1992 0.2866 ( 1488 PWs) bands (ev): -9.3354 -9.3354 -9.3321 -9.3321 3.4845 3.4845 3.5113 3.5113 4.5575 4.5575 4.5737 4.5737 5.2041 5.2041 5.2164 5.2164 6.9764 6.9764 7.0305 7.0305 7.4452 7.4452 7.4541 7.4541 7.8052 7.8052 7.8501 7.8501 8.2984 8.2984 8.3222 8.3222 9.6457 9.6457 9.6813 9.6813 14.8779 14.8779 14.8804 14.8804 20.8685 20.8690 k = 0.1404-0.1918 0.2866 ( 1488 PWs) bands (ev): -9.3502 -9.3502 -9.3470 -9.3470 3.4935 3.4935 3.5206 3.5206 4.5708 4.5708 4.5888 4.5888 5.2287 5.2287 5.2400 5.2400 6.9671 6.9671 7.0197 7.0197 7.4422 7.4422 7.4518 7.4518 7.7947 7.7947 7.8427 7.8427 8.2970 8.2970 8.3213 8.3213 9.6693 9.6693 9.7020 9.7020 14.8216 14.8216 14.8237 14.8237 20.9445 20.9445 k = 0.1350-0.1844 0.2866 ( 1484 PWs) bands (ev): -9.3648 -9.3648 -9.3617 -9.3617 3.5029 3.5029 3.5300 3.5300 4.5824 4.5824 4.6021 4.6021 5.2544 5.2544 5.2646 5.2646 6.9586 6.9586 7.0098 7.0098 7.4391 7.4391 7.4493 7.4493 7.7842 7.7842 7.8349 7.8349 8.2956 8.2956 8.3203 8.3203 9.6932 9.6932 9.7231 9.7231 14.7643 14.7643 14.7660 14.7660 21.0180 21.0180 k = 0.1296-0.1771 0.2866 ( 1482 PWs) bands (ev): -9.3790 -9.3790 -9.3760 -9.3760 3.5124 3.5124 3.5397 3.5397 4.5922 4.5922 4.6135 4.6135 5.2812 5.2812 5.2903 5.2903 6.9510 6.9510 7.0008 7.0008 7.4359 7.4359 7.4466 7.4466 7.7736 7.7736 7.8269 7.8269 8.2941 8.2941 8.3192 8.3192 9.7173 9.7173 9.7445 9.7445 14.7063 14.7063 14.7075 14.7075 21.0891 21.0918 k = 0.1242-0.1697 0.2866 ( 1480 PWs) bands (ev): -9.3929 -9.3929 -9.3900 -9.3900 3.5221 3.5221 3.5494 3.5494 4.6004 4.6004 4.6232 4.6232 5.3089 5.3089 5.3170 5.3170 6.9442 6.9442 6.9927 6.9927 7.4327 7.4327 7.4438 7.4438 7.7630 7.7630 7.8184 7.8184 8.2927 8.2927 8.3180 8.3180 9.7416 9.7416 9.7662 9.7662 14.6477 14.6477 14.6485 14.6485 21.1555 21.1568 k = 0.1188-0.1623 0.2866 ( 1480 PWs) bands (ev): -9.4064 -9.4064 -9.4036 -9.4036 3.5319 3.5319 3.5591 3.5591 4.6071 4.6071 4.6311 4.6311 5.3374 5.3374 5.3444 5.3444 6.9383 6.9383 6.9855 6.9855 7.4295 7.4295 7.4409 7.4409 7.7523 7.7523 7.8097 7.8097 8.2913 8.2913 8.3167 8.3167 9.7658 9.7658 9.7879 9.7879 14.5887 14.5887 14.5892 14.5892 21.2169 21.2175 k = 0.1134-0.1549 0.2866 ( 1478 PWs) bands (ev): -9.4195 -9.4195 -9.4168 -9.4168 3.5418 3.5418 3.5689 3.5689 4.6122 4.6122 4.6374 4.6374 5.3664 5.3664 5.3724 5.3724 6.9333 6.9333 6.9794 6.9794 7.4263 7.4263 7.4379 7.4379 7.7416 7.7416 7.8005 7.8005 8.2900 8.2900 8.3154 8.3154 9.7899 9.7899 9.8098 9.8098 14.5297 14.5297 14.5297 14.5297 21.2716 21.2725 k = 0.1080-0.1475 0.2866 ( 1474 PWs) bands (ev): -9.4321 -9.4321 -9.4296 -9.4296 3.5517 3.5517 3.5786 3.5786 4.6161 4.6161 4.6421 4.6421 5.3958 5.3958 5.4008 5.4008 6.9292 6.9292 6.9742 6.9742 7.4232 7.4232 7.4349 7.4349 7.7310 7.7310 7.7911 7.7911 8.2888 8.2888 8.3140 8.3140 9.8139 9.8139 9.8316 9.8316 14.4704 14.4704 14.4707 14.4707 21.3196 21.3217 k = 0.1026-0.1402 0.2866 ( 1470 PWs) bands (ev): -9.4443 -9.4443 -9.4419 -9.4419 3.5616 3.5616 3.5882 3.5882 4.6188 4.6188 4.6455 4.6455 5.4254 5.4254 5.4295 5.4295 6.9261 6.9261 6.9700 6.9700 7.4202 7.4202 7.4319 7.4319 7.7203 7.7203 7.7813 7.7813 8.2877 8.2877 8.3126 8.3126 9.8375 9.8375 9.8532 9.8532 14.4114 14.4114 14.4121 14.4121 21.3599 21.3599 k = 0.0972-0.1328 0.2866 ( 1470 PWs) bands (ev): -9.4561 -9.4561 -9.4537 -9.4537 3.5714 3.5714 3.5976 3.5976 4.6203 4.6203 4.6475 4.6475 5.4549 5.4549 5.4582 5.4582 6.9238 6.9238 6.9667 6.9667 7.4172 7.4172 7.4289 7.4289 7.7097 7.7097 7.7712 7.7712 8.2866 8.2866 8.3112 8.3112 9.8608 9.8608 9.8746 9.8746 14.3531 14.3531 14.3541 14.3541 21.3947 21.3947 k = 0.0918-0.1254 0.2866 ( 1470 PWs) bands (ev): -9.4673 -9.4673 -9.4651 -9.4651 3.5811 3.5811 3.6068 3.6068 4.6209 4.6209 4.6483 4.6483 5.4842 5.4842 5.4867 5.4867 6.9226 6.9226 6.9644 6.9644 7.4144 7.4144 7.4259 7.4259 7.6992 7.6992 7.7608 7.7608 8.2856 8.2856 8.3097 8.3097 9.8836 9.8836 9.8956 9.8956 14.2957 14.2957 14.2971 14.2971 21.4243 21.4311 k = 0.0864-0.1180 0.2866 ( 1470 PWs) bands (ev): -9.4780 -9.4780 -9.4759 -9.4759 3.5907 3.5907 3.6158 3.6158 4.6208 4.6208 4.6481 4.6481 5.5129 5.5129 5.5148 5.5148 6.9222 6.9222 6.9630 6.9630 7.4117 7.4117 7.4230 7.4230 7.6887 7.6887 7.7502 7.7502 8.2847 8.2847 8.3081 8.3081 9.9059 9.9059 9.9163 9.9163 14.2396 14.2396 14.2412 14.2412 21.4485 21.4563 k = 0.0810-0.1107 0.2866 ( 1472 PWs) bands (ev): -9.4881 -9.4881 -9.4862 -9.4862 3.6001 3.6001 3.6244 3.6244 4.6199 4.6199 4.6470 4.6470 5.5411 5.5411 5.5423 5.5423 6.9227 6.9227 6.9624 6.9624 7.4091 7.4091 7.4202 7.4202 7.6784 7.6784 7.7392 7.7392 8.2839 8.2839 8.3066 8.3066 9.9276 9.9276 9.9364 9.9364 14.1848 14.1848 14.1867 14.1867 21.4688 21.4688 k = 0.0756-0.1033 0.2866 ( 1472 PWs) bands (ev): -9.4977 -9.4977 -9.4959 -9.4959 3.6093 3.6093 3.6328 3.6328 4.6185 4.6185 4.6451 4.6451 5.5683 5.5683 5.5690 5.5690 6.9240 6.9240 6.9625 6.9625 7.4067 7.4067 7.4175 7.4175 7.6683 7.6683 7.7281 7.7281 8.2833 8.2833 8.3051 8.3051 9.9484 9.9484 9.9560 9.9560 14.1319 14.1319 14.1339 14.1339 21.4857 21.4857 k = 0.0702-0.0959 0.2866 ( 1474 PWs) bands (ev): -9.5068 -9.5068 -9.5050 -9.5050 3.6181 3.6181 3.6407 3.6407 4.6167 4.6167 4.6426 4.6426 5.5945 5.5945 5.5947 5.5947 6.9261 6.9261 6.9633 6.9633 7.4045 7.4045 7.4150 7.4150 7.6584 7.6584 7.7169 7.7169 8.2828 8.2828 8.3035 8.3035 9.9685 9.9685 9.9748 9.9748 14.0810 14.0810 14.0832 14.0832 21.4998 21.4998 k = 0.0648-0.0885 0.2866 ( 1474 PWs) bands (ev): -9.5152 -9.5152 -9.5136 -9.5136 3.6267 3.6267 3.6482 3.6482 4.6147 4.6147 4.6396 4.6396 5.6192 5.6192 5.6194 5.6194 6.9289 6.9289 6.9648 6.9648 7.4025 7.4025 7.4127 7.4127 7.6489 7.6489 7.7056 7.7056 8.2824 8.2824 8.3020 8.3020 9.9876 9.9876 9.9928 9.9928 14.0325 14.0325 14.0348 14.0348 21.5117 21.5117 k = 0.0594-0.0812 0.2866 ( 1472 PWs) bands (ev): -9.5230 -9.5230 -9.5215 -9.5215 3.6349 3.6349 3.6552 3.6552 4.6124 4.6124 4.6362 4.6362 5.6424 5.6424 5.6429 5.6429 6.9324 6.9324 6.9667 6.9667 7.4008 7.4008 7.4105 7.4105 7.6398 7.6398 7.6943 7.6943 8.2822 8.2822 8.3005 8.3005 10.0057 10.0057 10.0100 10.0100 13.9866 13.9866 13.9889 13.9889 21.5216 21.5216 k = 0.0540-0.0738 0.2866 ( 1470 PWs) bands (ev): -9.5301 -9.5301 -9.5288 -9.5288 3.6427 3.6427 3.6616 3.6616 4.6102 4.6102 4.6325 4.6325 5.6641 5.6641 5.6649 5.6649 6.9365 6.9365 6.9689 6.9689 7.3993 7.3993 7.4085 7.4085 7.6313 7.6313 7.6831 7.6831 8.2820 8.2820 8.2991 8.2991 10.0226 10.0226 10.0261 10.0261 13.9436 13.9436 13.9459 13.9459 21.5300 21.5300 k = 0.0486-0.0664 0.2866 ( 1472 PWs) bands (ev): -9.5366 -9.5366 -9.5354 -9.5354 3.6501 3.6501 3.6675 3.6675 4.6079 4.6079 4.6286 4.6286 5.6841 5.6841 5.6851 5.6851 6.9409 6.9409 6.9713 6.9713 7.3980 7.3980 7.4067 7.4067 7.6233 7.6233 7.6720 7.6720 8.2820 8.2820 8.2976 8.2976 10.0383 10.0383 10.0410 10.0410 13.9037 13.9037 13.9060 13.9060 21.5371 21.5371 k = 0.0432-0.0590 0.2866 ( 1472 PWs) bands (ev): -9.5425 -9.5425 -9.5414 -9.5414 3.6569 3.6569 3.6727 3.6727 4.6057 4.6057 4.6247 4.6247 5.7024 5.7024 5.7035 5.7035 6.9457 6.9457 6.9738 6.9738 7.3970 7.3970 7.4051 7.4051 7.6161 7.6161 7.6611 7.6611 8.2821 8.2821 8.2962 8.2962 10.0527 10.0527 10.0548 10.0548 13.8673 13.8673 13.8694 13.8694 21.5431 21.5431 k = 0.0378-0.0516 0.2866 ( 1474 PWs) bands (ev): -9.5477 -9.5477 -9.5468 -9.5468 3.6632 3.6632 3.6773 3.6773 4.6038 4.6038 4.6209 4.6209 5.7189 5.7189 5.7200 5.7200 6.9507 6.9507 6.9762 6.9762 7.3962 7.3962 7.4036 7.4036 7.6097 7.6097 7.6507 7.6507 8.2823 8.2823 8.2948 8.2948 10.0656 10.0656 10.0672 10.0672 13.8345 13.8345 13.8366 13.8366 21.5482 21.5482 k = 0.0324-0.0443 0.2866 ( 1472 PWs) bands (ev): -9.5522 -9.5522 -9.5514 -9.5514 3.6689 3.6689 3.6812 3.6812 4.6022 4.6022 4.6171 4.6171 5.7333 5.7333 5.7344 5.7344 6.9557 6.9557 6.9783 6.9783 7.3956 7.3956 7.4023 7.4023 7.6044 7.6044 7.6407 7.6407 8.2827 8.2827 8.2935 8.2935 10.0770 10.0770 10.0782 10.0782 13.8057 13.8057 13.8075 13.8075 21.5537 21.5567 k = 0.0270-0.0369 0.2866 ( 1474 PWs) bands (ev): -9.5560 -9.5560 -9.5554 -9.5554 3.6739 3.6739 3.6844 3.6844 4.6009 4.6009 4.6136 4.6136 5.7457 5.7457 5.7467 5.7467 6.9606 6.9606 6.9800 6.9800 7.3954 7.3954 7.4011 7.4011 7.6003 7.6003 7.6314 7.6314 8.2831 8.2831 8.2922 8.2922 10.0868 10.0868 10.0877 10.0877 13.7810 13.7810 13.7825 13.7825 21.5575 21.5599 k = 0.0216-0.0295 0.2866 ( 1472 PWs) bands (ev): -9.5591 -9.5591 -9.5586 -9.5586 3.6783 3.6783 3.6868 3.6868 4.6001 4.6001 4.6104 4.6104 5.7560 5.7560 5.7568 5.7568 6.9653 6.9653 6.9812 6.9812 7.3953 7.3953 7.4001 7.4001 7.5973 7.5973 7.6229 7.6229 8.2837 8.2837 8.2910 8.2910 10.0950 10.0950 10.0956 10.0956 13.7605 13.7605 13.7618 13.7618 21.5593 21.5610 k = 0.0162-0.0221 0.2866 ( 1470 PWs) bands (ev): -9.5616 -9.5616 -9.5612 -9.5612 3.6820 3.6820 3.6885 3.6885 4.5997 4.5997 4.6075 4.6075 5.7641 5.7641 5.7648 5.7648 6.9696 6.9696 6.9818 6.9818 7.3954 7.3954 7.3991 7.3991 7.5958 7.5958 7.6154 7.6154 8.2843 8.2843 8.2899 8.2899 10.1014 10.1014 10.1018 10.1018 13.7445 13.7445 13.7455 13.7455 21.5626 21.5638 k = 0.0108-0.0148 0.2866 ( 1468 PWs) bands (ev): -9.5633 -9.5633 -9.5630 -9.5630 3.6850 3.6850 3.6893 3.6893 4.5998 4.5998 4.6050 4.6050 5.7699 5.7699 5.7704 5.7704 6.9734 6.9734 6.9816 6.9816 7.3958 7.3958 7.3983 7.3983 7.5956 7.5956 7.6089 7.6089 8.2851 8.2851 8.2888 8.2888 10.1060 10.1060 10.1063 10.1063 13.7330 13.7330 13.7337 13.7337 21.5634 21.5645 k = 0.0054-0.0074 0.2866 ( 1468 PWs) bands (ev): -9.5643 -9.5643 -9.5641 -9.5641 3.6873 3.6873 3.6894 3.6894 4.6004 4.6004 4.6030 4.6030 5.7735 5.7735 5.7737 5.7737 6.9765 6.9765 6.9807 6.9807 7.3962 7.3962 7.3975 7.3975 7.5969 7.5969 7.6036 7.6036 8.2859 8.2859 8.2878 8.2878 10.1088 10.1088 10.1089 10.1089 13.7261 13.7261 13.7265 13.7265 21.5643 21.5651 k = 0.0000 0.0000 0.2866 ( 1470 PWs) bands (ev): -9.5646 -9.5646 -9.5646 -9.5646 3.6887 3.6887 3.6888 3.6888 4.6014 4.6014 4.6015 4.6015 5.7747 5.7747 5.7748 5.7748 6.9789 6.9789 6.9791 6.9791 7.3967 7.3967 7.3968 7.3968 7.5994 7.5994 7.5996 7.5996 8.2867 8.2867 8.2868 8.2868 10.1097 10.1097 10.1098 10.1098 13.7239 13.7239 13.7240 13.7240 21.5650 21.5650 k = 0.0000 0.0000 0.2866 ( 1470 PWs) bands (ev): -9.5646 -9.5646 -9.5646 -9.5646 3.6887 3.6887 3.6888 3.6888 4.6014 4.6014 4.6015 4.6015 5.7747 5.7747 5.7748 5.7748 6.9789 6.9789 6.9791 6.9791 7.3967 7.3967 7.3968 7.3968 7.5994 7.5994 7.5996 7.5996 8.2867 8.2867 8.2868 8.2868 10.1097 10.1097 10.1098 10.1098 13.7239 13.7239 13.7240 13.7240 21.5650 21.5650 k = 0.0074 0.0054 0.2866 ( 1470 PWs) bands (ev): -9.5659 -9.5659 -9.5623 -9.5623 3.6809 3.6809 3.6951 3.6951 4.5886 4.5886 4.6162 4.6162 5.7720 5.7720 5.7759 5.7759 6.9755 6.9755 6.9817 6.9817 7.3870 7.3870 7.4061 7.4061 7.5946 7.5946 7.6057 7.6057 8.2826 8.2826 8.2909 8.2909 10.0847 10.0847 10.1314 10.1314 13.7247 13.7247 13.7285 13.7285 21.5518 21.5518 k = 0.0149 0.0109 0.2866 ( 1472 PWs) bands (ev): -9.5665 -9.5665 -9.5592 -9.5592 3.6715 3.6715 3.7000 3.7000 4.5779 4.5779 4.6328 4.6328 5.7677 5.7677 5.7753 5.7753 6.9712 6.9712 6.9836 6.9836 7.3774 7.3774 7.4146 7.4146 7.5914 7.5914 7.6130 7.6130 8.2784 8.2784 8.2950 8.2950 10.0562 10.0562 10.1494 10.1494 13.7306 13.7306 13.7384 13.7384 21.5389 21.5389 k = 0.0223 0.0163 0.2866 ( 1474 PWs) bands (ev): -9.5661 -9.5661 -9.5553 -9.5553 3.6606 3.6606 3.7035 3.7035 4.5692 4.5692 4.6513 4.6513 5.7619 5.7619 5.7731 5.7731 6.9664 6.9664 6.9847 6.9847 7.3680 7.3680 7.4218 7.4218 7.5901 7.5901 7.6212 7.6212 8.2743 8.2743 8.2990 8.2990 10.0246 10.0246 10.1637 10.1637 13.7417 13.7417 13.7536 13.7536 21.5266 21.5266 k = 0.0297 0.0218 0.2866 ( 1477 PWs) bands (ev): -9.5649 -9.5649 -9.5505 -9.5505 3.6484 3.6484 3.7055 3.7055 4.5625 4.5625 4.6713 4.6713 5.7547 5.7547 5.7691 5.7691 6.9611 6.9611 6.9851 6.9851 7.3591 7.3591 7.4272 7.4272 7.5909 7.5909 7.6303 7.6303 8.2702 8.2702 8.3028 8.3028 9.9901 9.9901 10.1744 10.1744 13.7576 13.7576 13.7741 13.7741 21.5147 21.5147 k = 0.0372 0.0272 0.2866 ( 1473 PWs) bands (ev): -9.5628 -9.5628 -9.5449 -9.5449 3.6348 3.6348 3.7064 3.7064 4.5579 4.5579 4.6928 4.6928 5.7462 5.7462 5.7633 5.7633 6.9556 6.9556 6.9849 6.9849 7.3508 7.3508 7.4305 7.4305 7.5940 7.5940 7.6402 7.6402 8.2661 8.2661 8.3066 8.3066 9.9530 9.9530 10.1817 10.1817 13.7782 13.7782 13.7995 13.7995 21.5036 21.5036 k = 0.0446 0.0326 0.2866 ( 1473 PWs) bands (ev): -9.5599 -9.5599 -9.5385 -9.5385 3.6201 3.6201 3.7060 3.7060 4.5552 4.5552 4.7154 4.7154 5.7363 5.7363 5.7558 5.7558 6.9501 6.9501 6.9843 6.9843 7.3430 7.3430 7.4314 7.4314 7.5992 7.5992 7.6508 7.6508 8.2621 8.2621 8.3101 8.3101 9.9136 9.9136 10.1855 10.1855 13.8032 13.8032 13.8299 13.8299 21.4933 21.4933 k = 0.0520 0.0381 0.2866 ( 1475 PWs) bands (ev): -9.5562 -9.5562 -9.5313 -9.5313 3.6042 3.6042 3.7045 3.7045 4.5543 4.5543 4.7388 4.7388 5.7251 5.7251 5.7465 5.7465 6.9447 6.9447 6.9835 6.9835 7.3358 7.3358 7.4301 7.4301 7.6063 7.6063 7.6620 7.6620 8.2580 8.2580 8.3133 8.3133 9.8723 9.8723 10.1860 10.1860 13.8323 13.8323 13.8647 13.8647 21.4838 21.4838 k = 0.0594 0.0435 0.2866 ( 1475 PWs) bands (ev): -9.5516 -9.5516 -9.5232 -9.5232 3.5874 3.5874 3.7020 3.7020 4.5550 4.5550 4.7628 4.7628 5.7127 5.7127 5.7356 5.7356 6.9397 6.9397 6.9828 6.9828 7.3292 7.3292 7.4269 7.4269 7.6146 7.6146 7.6738 7.6738 8.2540 8.2540 8.3162 8.3162 9.8293 9.8293 10.1835 10.1835 13.8651 13.8651 13.9039 13.9039 21.4754 21.4754 k = 0.0669 0.0490 0.2866 ( 1473 PWs) bands (ev): -9.5461 -9.5461 -9.5144 -9.5144 3.5698 3.5698 3.6986 3.6986 4.5572 4.5572 4.7870 4.7870 5.6991 5.6991 5.7235 5.7235 6.9352 6.9352 6.9824 6.9824 7.3229 7.3229 7.4222 7.4222 7.6238 7.6238 7.6862 7.6862 8.2500 8.2500 8.3187 8.3187 9.7851 9.7851 10.1783 10.1783 13.9014 13.9014 13.9469 13.9469 21.4681 21.4681 k = 0.0743 0.0544 0.2866 ( 1473 PWs) bands (ev): -9.5398 -9.5398 -9.5048 -9.5048 3.5514 3.5514 3.6944 3.6944 4.5609 4.5609 4.8110 4.8110 5.6840 5.6840 5.7103 5.7103 6.9313 6.9313 6.9824 6.9824 7.3170 7.3170 7.4162 7.4162 7.6334 7.6334 7.6990 7.6990 8.2458 8.2458 8.3207 8.3207 9.7401 9.7401 10.1705 10.1705 13.9408 13.9408 13.9935 13.9935 21.4621 21.4621 k = 0.0817 0.0598 0.2866 ( 1478 PWs) bands (ev): -9.5328 -9.5328 -9.4944 -9.4944 3.5326 3.5326 3.6895 3.6895 4.5657 4.5657 4.8344 4.8344 5.6672 5.6672 5.6967 5.6967 6.9282 6.9282 6.9831 6.9831 7.3113 7.3113 7.4091 7.4091 7.6431 7.6431 7.7120 7.7120 8.2416 8.2416 8.3222 8.3222 9.6946 9.6946 10.1604 10.1604 13.9830 13.9830 14.0432 14.0432 21.4575 21.4575 k = 0.0892 0.0653 0.2866 ( 1476 PWs) bands (ev): -9.5249 -9.5249 -9.4833 -9.4833 3.5133 3.5133 3.6839 3.6839 4.5716 4.5716 4.8568 4.8568 5.6486 5.6486 5.6833 5.6833 6.9259 6.9259 6.9848 6.9848 7.3060 7.3060 7.4015 7.4015 7.6527 7.6527 7.7250 7.7250 8.2372 8.2372 8.3232 8.3232 9.6492 9.6492 10.1484 10.1484 14.0275 14.0275 14.0956 14.0956 21.4545 21.4545 k = 0.0966 0.0707 0.2866 ( 1474 PWs) bands (ev): -9.5162 -9.5162 -9.4715 -9.4715 3.4938 3.4938 3.6778 3.6778 4.5784 4.5784 4.8775 4.8775 5.6281 5.6281 5.6708 5.6708 6.9244 6.9244 6.9875 6.9875 7.3008 7.3008 7.3934 7.3934 7.6621 7.6621 7.7380 7.7380 8.2326 8.2326 8.3234 8.3234 9.6041 9.6041 10.1348 10.1348 14.0740 14.0740 14.1503 14.1503 21.4533 21.4533 k = 0.1040 0.0762 0.2866 ( 1474 PWs) bands (ev): -9.5068 -9.5068 -9.4590 -9.4590 3.4742 3.4742 3.6711 3.6711 4.5859 4.5859 4.8960 4.8960 5.6058 5.6058 5.6596 5.6596 6.9238 6.9238 6.9913 6.9913 7.2959 7.2959 7.3849 7.3849 7.6713 7.6713 7.7506 7.7506 8.2277 8.2277 8.3230 8.3230 9.5598 9.5598 10.1197 10.1197 14.1222 14.1222 14.2069 14.2069 21.4540 21.4540 k = 0.1115 0.0816 0.2866 ( 1474 PWs) bands (ev): -9.4966 -9.4966 -9.4459 -9.4459 3.4545 3.4545 3.6641 3.6641 4.5940 4.5940 4.9116 4.9116 5.5815 5.5815 5.6503 5.6503 6.9240 6.9240 6.9964 6.9964 7.2910 7.2910 7.3763 7.3763 7.6801 7.6801 7.7627 7.7627 8.2224 8.2224 8.3217 8.3217 9.5165 9.5165 10.1035 10.1035 14.1718 14.1718 14.2649 14.2649 21.4568 21.4568 k = 0.1189 0.0870 0.2866 ( 1476 PWs) bands (ev): -9.4856 -9.4856 -9.4321 -9.4321 3.4349 3.4349 3.6566 3.6566 4.6024 4.6024 4.9239 4.9239 5.5557 5.5557 5.6433 5.6433 6.9251 6.9251 7.0028 7.0028 7.2862 7.2862 7.3676 7.3676 7.6888 7.6888 7.7742 7.7742 8.2167 8.2167 8.3196 8.3196 9.4748 9.4748 10.0864 10.0864 14.2223 14.2223 14.3239 14.3239 21.4617 21.4617 k = 0.1263 0.0925 0.2866 ( 1478 PWs) bands (ev): -9.4740 -9.4740 -9.4176 -9.4176 3.4155 3.4155 3.6486 3.6486 4.6112 4.6112 4.9321 4.9321 5.5286 5.5286 5.6391 5.6391 6.9268 6.9268 7.0104 7.0104 7.2814 7.2814 7.3593 7.3593 7.6971 7.6971 7.7850 7.7850 8.2105 8.2105 8.3165 8.3165 9.4350 9.4350 10.0686 10.0686 14.2734 14.2734 14.3836 14.3836 21.4690 21.4690 k = 0.1337 0.0979 0.2866 ( 1478 PWs) bands (ev): -9.4616 -9.4616 -9.4026 -9.4026 3.3964 3.3964 3.6404 3.6404 4.6199 4.6199 4.9358 4.9358 5.5004 5.5004 5.6380 5.6380 6.9293 6.9293 7.0192 7.0192 7.2769 7.2769 7.3512 7.3512 7.7054 7.7054 7.7949 7.7949 8.2037 8.2037 8.3124 8.3124 9.3974 9.3974 10.0505 10.0505 14.3248 14.3248 14.4435 14.4435 21.4786 21.4786 k = 0.1412 0.1034 0.2866 ( 1479 PWs) bands (ev): -9.4486 -9.4486 -9.3870 -9.3870 3.3776 3.3776 3.6319 3.6319 4.6287 4.6287 4.9347 4.9347 5.4714 5.4714 5.6401 5.6401 6.9323 6.9323 7.0292 7.0292 7.2725 7.2725 7.3437 7.3437 7.7135 7.7135 7.8039 7.8039 8.1961 8.1961 8.3073 8.3073 9.3622 9.3622 10.0322 10.0322 14.3762 14.3762 14.5032 14.5032 21.4898 21.4898 k = 0.1486 0.1088 0.2866 ( 1483 PWs) bands (ev): -9.4350 -9.4350 -9.3708 -9.3708 3.3592 3.3592 3.6230 3.6230 4.6371 4.6371 4.9288 4.9288 5.4417 5.4417 5.6456 5.6456 6.9358 6.9358 7.0403 7.0403 7.2681 7.2681 7.3368 7.3368 7.7216 7.7216 7.8119 7.8119 8.1879 8.1879 8.3011 8.3011 9.3298 9.3298 10.0137 10.0137 14.4271 14.4271 14.5624 14.5624 21.4858 21.4859 k = 0.1560 0.1142 0.2866 ( 1483 PWs) bands (ev): -9.4207 -9.4207 -9.3541 -9.3541 3.3414 3.3414 3.6139 3.6139 4.6450 4.6450 4.9182 4.9182 5.4117 5.4117 5.6541 5.6541 6.9397 6.9397 7.0523 7.0523 7.2639 7.2639 7.3309 7.3309 7.7299 7.7299 7.8190 7.8190 8.1789 8.1789 8.2940 8.2940 9.3004 9.3004 9.9954 9.9954 14.4773 14.4773 14.6208 14.6208 21.4077 21.4077 k = 0.1635 0.1197 0.2866 ( 1484 PWs) bands (ev): -9.4059 -9.4059 -9.3370 -9.3370 3.3242 3.3242 3.6044 3.6044 4.6522 4.6522 4.9030 4.9030 5.3816 5.3816 5.6653 5.6653 6.9438 6.9438 7.0650 7.0650 7.2598 7.2598 7.3261 7.3261 7.7383 7.7383 7.8250 7.8250 8.1692 8.1692 8.2858 8.2858 9.2742 9.2742 9.9774 9.9774 14.5263 14.5263 14.6779 14.6779 21.3062 21.3062 k = 0.1709 0.1251 0.2866 ( 1484 PWs) bands (ev): -9.3905 -9.3905 -9.3194 -9.3194 3.3076 3.3076 3.5946 3.5946 4.6585 4.6585 4.8838 4.8838 5.3517 5.3517 5.6787 5.6787 6.9481 6.9481 7.0782 7.0782 7.2561 7.2561 7.3225 7.3225 7.7470 7.7470 7.8299 7.8299 8.1586 8.1586 8.2768 8.2768 9.2513 9.2513 9.9596 9.9596 14.5739 14.5739 14.7336 14.7336 21.1926 21.1926 k = 0.1783 0.1306 0.2866 ( 1483 PWs) bands (ev): -9.3745 -9.3745 -9.3014 -9.3014 3.2918 3.2918 3.5844 3.5844 4.6638 4.6638 4.8610 4.8610 5.3224 5.3224 5.6938 5.6938 6.9524 6.9524 7.0917 7.0917 7.2528 7.2528 7.3203 7.3203 7.7562 7.7562 7.8338 7.8338 8.1474 8.1474 8.2669 8.2669 9.2318 9.2318 9.9423 9.9423 14.6197 14.6197 14.7876 14.7876 21.0708 21.0708 k = 0.1858 0.1360 0.2866 ( 1488 PWs) bands (ev): -9.3581 -9.3581 -9.2830 -9.2830 3.2766 3.2766 3.5738 3.5738 4.6677 4.6677 4.8351 4.8351 5.2937 5.2937 5.7098 5.7098 6.9565 6.9565 7.1051 7.1051 7.2500 7.2500 7.3196 7.3196 7.7661 7.7661 7.8365 7.8365 8.1355 8.1355 8.2562 8.2562 9.2156 9.2156 9.9254 9.9254 14.6633 14.6633 14.8396 14.8396 20.9438 20.9438 k = 0.1932 0.1414 0.2866 ( 1488 PWs) bands (ev): -9.3412 -9.3412 -9.2642 -9.2642 3.2624 3.2624 3.5628 3.5628 4.6700 4.6700 4.8067 4.8067 5.2662 5.2662 5.7262 5.7262 6.9604 6.9604 7.1182 7.1182 7.2480 7.2480 7.3208 7.3208 7.7765 7.7765 7.8383 7.8383 8.1231 8.1231 8.2451 8.2451 9.2028 9.2028 9.9091 9.9091 14.7045 14.7045 14.8895 14.8895 20.8141 20.8141 k = 0.2006 0.1469 0.2866 ( 1486 PWs) bands (ev): -9.3239 -9.3239 -9.2451 -9.2451 3.2490 3.2490 3.5514 3.5514 4.6704 4.6704 4.7762 4.7762 5.2401 5.2401 5.7424 5.7424 6.9640 6.9640 7.1305 7.1305 7.2471 7.2471 7.3238 7.3238 7.7879 7.7879 7.8390 7.8390 8.1104 8.1104 8.2334 8.2334 9.1932 9.1932 9.8932 9.8932 14.7428 14.7428 14.9370 14.9370 20.6836 20.6836 k = 0.2080 0.1523 0.2866 ( 1485 PWs) bands (ev): -9.3062 -9.3062 -9.2257 -9.2257 3.2365 3.2365 3.5394 3.5394 4.6687 4.6687 4.7443 4.7443 5.2156 5.2156 5.7580 5.7580 6.9672 6.9672 7.1415 7.1415 7.2475 7.2475 7.3289 7.3289 7.8001 7.8001 7.8387 7.8387 8.0977 8.0977 8.2215 8.2215 9.1868 9.1868 9.8780 9.8780 14.7779 14.7779 14.9820 14.9820 20.5538 20.5538 k = 0.2155 0.1578 0.2866 ( 1487 PWs) bands (ev): -9.2882 -9.2882 -9.2061 -9.2061 3.2249 3.2249 3.5269 3.5269 4.6645 4.6645 4.7115 4.7115 5.1930 5.1930 5.7723 5.7723 6.9697 6.9697 7.1510 7.1510 7.2495 7.2495 7.3360 7.3360 7.8133 7.8133 7.8373 7.8373 8.0851 8.0851 8.2094 8.2094 9.1833 9.1833 9.8632 9.8632 14.8095 14.8095 15.0244 15.0244 20.4261 20.4261 k = 0.2229 0.1632 0.2866 ( 1480 PWs) bands (ev): -9.2698 -9.2698 -9.1862 -9.1862 3.2143 3.2143 3.5138 3.5138 4.6568 4.6568 4.6789 4.6789 5.1725 5.1725 5.7851 5.7851 6.9718 6.9718 7.1588 7.1588 7.2532 7.2532 7.3452 7.3452 7.8276 7.8276 7.8350 7.8350 8.0730 8.0730 8.1975 8.1975 9.1827 9.1827 9.8489 9.8489 14.8373 14.8373 15.0643 15.0643 20.3016 20.3016 k = 0.2303 0.1686 0.2866 ( 1478 PWs) bands (ev): -9.2512 -9.2512 -9.1662 -9.1662 3.2047 3.2047 3.4999 3.4999 4.6381 4.6381 4.6545 4.6545 5.1542 5.1542 5.7960 5.7960 6.9731 6.9731 7.1651 7.1651 7.2584 7.2584 7.3564 7.3564 7.8318 7.8318 7.8428 7.8428 8.0616 8.0616 8.1856 8.1856 9.1846 9.1846 9.8351 9.8351 14.8610 14.8610 15.1014 15.1014 20.1810 20.1810 k = 0.2378 0.1741 0.2866 ( 1480 PWs) bands (ev): -9.2324 -9.2324 -9.1461 -9.1461 3.1962 3.1962 3.4853 3.4853 4.6060 4.6060 4.6407 4.6407 5.1380 5.1380 5.8046 5.8046 6.9734 6.9734 7.1703 7.1703 7.2650 7.2650 7.3693 7.3693 7.8277 7.8277 7.8590 7.8590 8.0511 8.0511 8.1742 8.1742 9.1891 9.1891 9.8216 9.8216 14.8803 14.8803 15.1359 15.1359 20.0652 20.0652 k = 0.2452 0.1795 0.2866 ( 1482 PWs) bands (ev): -9.2134 -9.2134 -9.1258 -9.1258 3.1887 3.1887 3.4698 3.4698 4.5724 4.5724 4.6265 4.6265 5.1239 5.1239 5.8108 5.8108 6.9728 6.9728 7.1750 7.1750 7.2726 7.2726 7.3837 7.3837 7.8229 7.8229 7.8761 7.8761 8.0415 8.0415 8.1632 8.1632 9.1959 9.1959 9.8085 9.8085 14.8949 14.8949 15.1677 15.1677 19.9548 19.9548 k = 0.2526 0.1850 0.2866 ( 1484 PWs) bands (ev): -9.1942 -9.1942 -9.1055 -9.1055 3.1823 3.1823 3.4535 3.4535 4.5389 4.5389 4.6103 4.6103 5.1118 5.1118 5.8144 5.8144 6.9711 6.9711 7.1796 7.1796 7.2810 7.2810 7.3992 7.3992 7.8176 7.8176 7.8940 7.8940 8.0332 8.0332 8.1533 8.1533 9.2048 9.2048 9.7956 9.7956 14.9047 14.9047 15.1970 15.1970 19.8502 19.8502 k = 0.2601 0.1904 0.2866 ( 1483 PWs) bands (ev): -9.1750 -9.1750 -9.0851 -9.0851 3.1771 3.1771 3.4362 3.4362 4.5061 4.5061 4.5922 4.5922 5.1013 5.1013 5.8154 5.8154 6.9681 6.9681 7.1848 7.1848 7.2900 7.2900 7.4154 7.4154 7.8122 7.8122 7.9124 7.9124 8.0260 8.0260 8.1447 8.1447 9.2158 9.2158 9.7828 9.7828 14.9095 14.9095 15.2239 15.2239 19.7519 19.7519 k = 0.2675 0.1958 0.2866 ( 1481 PWs) bands (ev): -9.1557 -9.1557 -9.0648 -9.0648 3.1730 3.1730 3.4180 3.4180 4.4744 4.4744 4.5725 4.5725 5.0922 5.0922 5.8137 5.8137 6.9637 6.9637 7.1908 7.1908 7.2996 7.2996 7.4318 7.4318 7.8068 7.8068 7.9311 7.9311 8.0199 8.0199 8.1379 8.1379 9.2287 9.2287 9.7700 9.7700 14.9091 14.9091 15.2486 15.2486 19.6604 19.6604 k = 0.2749 0.2013 0.2866 ( 1480 PWs) bands (ev): -9.1365 -9.1365 -9.0445 -9.0445 3.1701 3.1701 3.3986 3.3986 4.4438 4.4438 4.5514 4.5514 5.0842 5.0842 5.8092 5.8092 6.9581 6.9581 7.1977 7.1977 7.3096 7.3096 7.4479 7.4479 7.8018 7.8018 7.9494 7.9494 8.0149 8.0149 8.1334 8.1334 9.2434 9.2434 9.7573 9.7573 14.9035 14.9035 15.2711 15.2711 19.5757 19.5757 k = 0.2823 0.2067 0.2866 ( 1476 PWs) bands (ev): -9.1173 -9.1173 -9.0243 -9.0243 3.1684 3.1684 3.3782 3.3782 4.4147 4.4147 4.5293 4.5293 5.0769 5.0769 5.8022 5.8022 6.9512 6.9512 7.2056 7.2056 7.3201 7.3201 7.4635 7.4635 7.7974 7.7974 7.9663 7.9663 8.0114 8.0114 8.1319 8.1319 9.2598 9.2598 9.7445 9.7445 14.8928 14.8928 15.2918 15.2918 19.4983 19.4983 k = 0.2898 0.2122 0.2866 ( 1479 PWs) bands (ev): -9.0982 -9.0982 -9.0043 -9.0043 3.1679 3.1679 3.3568 3.3568 4.3872 4.3872 4.5064 4.5064 5.0700 5.0700 5.7927 5.7927 6.9431 6.9431 7.2143 7.2143 7.3308 7.3308 7.4780 7.4780 7.7939 7.7939 7.9785 7.9785 8.0121 8.0121 8.1339 8.1339 9.2779 9.2779 9.7315 9.7315 14.8770 14.8770 15.3107 15.3107 19.4280 19.4280 k = 0.2972 0.2176 0.2866 ( 1481 PWs) bands (ev): -9.0793 -9.0793 -8.9843 -8.9843 3.1686 3.1686 3.3342 3.3342 4.3614 4.3614 4.4830 4.4830 5.0632 5.0632 5.7809 5.7809 6.9341 6.9341 7.2238 7.2238 7.3419 7.3419 7.4913 7.4913 7.7916 7.7916 7.9817 7.9817 8.0209 8.0209 8.1396 8.1396 9.2975 9.2975 9.7182 9.7182 14.8563 14.8563 15.3282 15.3282 19.3649 19.3649 k = 0.3046 0.2230 0.2866 ( 1479 PWs) bands (ev): -9.0606 -9.0606 -8.9646 -8.9646 3.1705 3.1705 3.3106 3.3106 4.3374 4.3374 4.4594 4.4594 5.0564 5.0564 5.7670 5.7670 6.9243 6.9243 7.2337 7.2337 7.3532 7.3532 7.5031 7.5031 7.7906 7.7906 7.9783 7.9783 8.0355 8.0355 8.1493 8.1493 9.3185 9.3185 9.7047 9.7047 14.8309 14.8309 15.3446 15.3446 19.3091 19.3091 k = 0.3121 0.2285 0.2866 ( 1481 PWs) bands (ev): -9.0421 -9.0421 -8.9452 -8.9452 3.1737 3.1737 3.2861 3.2861 4.3154 4.3154 4.4357 4.4357 5.0491 5.0491 5.7512 5.7512 6.9139 6.9139 7.2439 7.2439 7.3646 7.3646 7.5132 7.5132 7.7910 7.7910 7.9724 7.9724 8.0519 8.0519 8.1625 8.1625 9.3410 9.3410 9.6907 9.6907 14.8010 14.8010 15.3600 15.3600 19.2603 19.2603 k = 0.3195 0.2339 0.2866 ( 1481 PWs) bands (ev): -9.0240 -9.0240 -8.9259 -8.9259 3.1781 3.1781 3.2606 3.2606 4.2953 4.2953 4.4122 4.4122 5.0414 5.0414 5.7336 5.7336 6.9031 6.9031 7.2542 7.2542 7.3759 7.3759 7.5218 7.5218 7.7928 7.7928 7.9655 7.9655 8.0692 8.0692 8.1786 8.1786 9.3647 9.3647 9.6763 9.6763 14.7671 14.7671 15.3748 15.3748 19.2184 19.2184 k = 0.3269 0.2394 0.2866 ( 1483 PWs) bands (ev): -9.0063 -9.0063 -8.9070 -8.9070 3.1837 3.1837 3.2344 3.2344 4.2772 4.2772 4.3891 4.3891 5.0329 5.0329 5.7145 5.7145 6.8922 6.8922 7.2643 7.2643 7.3871 7.3871 7.5288 7.5288 7.7958 7.7958 7.9582 7.9582 8.0872 8.0872 8.1968 8.1968 9.3896 9.3896 9.6614 9.6614 14.7296 14.7296 15.3893 15.3893 19.1831 19.1831 k = 0.3344 0.2448 0.2866 ( 1487 PWs) bands (ev): -8.9890 -8.9890 -8.8885 -8.8885 3.1905 3.1905 3.2076 3.2076 4.2611 4.2611 4.3664 4.3664 5.0236 5.0236 5.6940 5.6940 6.8813 6.8813 7.2741 7.2741 7.3979 7.3979 7.5344 7.5344 7.7999 7.7999 7.9511 7.9511 8.1061 8.1061 8.2165 8.2165 9.4155 9.4155 9.6461 9.6461 14.6889 14.6889 15.4037 15.4037 19.1542 19.1542 k = 0.3418 0.2502 0.2866 ( 1490 PWs) bands (ev): -8.9722 -8.9722 -8.8703 -8.8703 3.1798 3.1798 3.1989 3.1989 4.2470 4.2470 4.3443 4.3443 5.0132 5.0132 5.6724 5.6724 6.8705 6.8705 7.2836 7.2836 7.4082 7.4082 7.5391 7.5391 7.8049 7.8049 7.9442 7.9442 8.1259 8.1259 8.2372 8.2372 9.4421 9.4421 9.6305 9.6305 14.6455 14.6455 15.4182 15.4182 19.1312 19.1312 k = 0.3492 0.2557 0.2866 ( 1492 PWs) bands (ev): -8.9559 -8.9559 -8.8525 -8.8525 3.1520 3.1520 3.2082 3.2082 4.2348 4.2348 4.3229 4.3229 5.0018 5.0018 5.6499 5.6499 6.8600 6.8600 7.2925 7.2925 7.4178 7.4178 7.5430 7.5430 7.8105 7.8105 7.9380 7.9380 8.1467 8.1467 8.2583 8.2583 9.4688 9.4688 9.6152 9.6152 14.6000 14.6000 15.4332 15.4332 19.1139 19.1139 k = 0.3566 0.2611 0.2866 ( 1494 PWs) bands (ev): -8.9402 -8.9402 -8.8351 -8.8351 3.1240 3.1240 3.2187 3.2187 4.2244 4.2244 4.3023 4.3023 4.9892 4.9892 5.6266 5.6266 6.8501 6.8501 7.3009 7.3009 7.4266 7.4266 7.5463 7.5463 7.8165 7.8165 7.9325 7.9325 8.1683 8.1683 8.2796 8.2796 9.4942 9.4942 9.6013 9.6013 14.5528 14.5528 15.4489 15.4489 19.1018 19.1018 k = 0.3641 0.2666 0.2866 ( 1496 PWs) bands (ev): -8.9251 -8.9251 -8.8182 -8.8182 3.0959 3.0959 3.2304 3.2304 4.2158 4.2158 4.2826 4.2826 4.9754 4.9754 5.6027 5.6027 6.8408 6.8408 7.3085 7.3085 7.4344 7.4344 7.5492 7.5492 7.8228 7.8228 7.9280 7.9280 8.1906 8.1906 8.3007 8.3007 9.5142 9.5142 9.5930 9.5930 14.5045 14.5045 15.4655 15.4655 19.0946 19.0946 k = 0.3715 0.2720 0.2866 ( 1500 PWs) bands (ev): -8.9108 -8.9108 -8.8018 -8.8018 3.0678 3.0678 3.2433 3.2433 4.2089 4.2089 4.2640 4.2640 4.9604 4.9604 5.5783 5.5783 6.8322 6.8322 7.3155 7.3155 7.4412 7.4412 7.5517 7.5517 7.8293 7.8293 7.9244 7.9244 8.2134 8.2134 8.3215 8.3215 9.5199 9.5199 9.5988 9.5988 14.4557 14.4557 15.4833 15.4833 19.0919 19.0919 k = 0.3789 0.2774 0.2866 ( 1500 PWs) bands (ev): -8.8972 -8.8972 -8.7859 -8.7859 3.0401 3.0401 3.2573 3.2573 4.2034 4.2034 4.2466 4.2466 4.9441 4.9441 5.5536 5.5536 6.8244 6.8244 7.3217 7.3217 7.4472 7.4472 7.5540 7.5540 7.8360 7.8360 7.9221 7.9221 8.2365 8.2365 8.3417 8.3417 9.5102 9.5102 9.6199 9.6199 14.4069 14.4069 15.5025 15.5025 19.0933 19.0933 k = 0.3864 0.2829 0.2866 ( 1503 PWs) bands (ev): -8.8843 -8.8843 -8.7705 -8.7705 3.0128 3.0128 3.2724 3.2724 4.1990 4.1990 4.2307 4.2307 4.9264 4.9264 5.5288 5.5288 6.8175 6.8175 7.3272 7.3272 7.4521 7.4521 7.5559 7.5559 7.8428 7.8428 7.9208 7.9208 8.2595 8.2595 8.3613 8.3613 9.4929 9.4929 9.6483 9.6483 14.3585 14.3585 15.5232 15.5232 19.0984 19.0984 k = 0.3938 0.2883 0.2866 ( 1502 PWs) bands (ev): -8.8724 -8.8724 -8.7557 -8.7557 2.9861 2.9861 3.2886 3.2886 4.1948 4.1948 4.2173 4.2173 4.9075 4.9075 5.5039 5.5039 6.8115 6.8115 7.3319 7.3319 7.4564 7.4564 7.5575 7.5575 7.8497 7.8497 7.9205 7.9205 8.2824 8.2824 8.3802 8.3802 9.4721 9.4721 9.6798 9.6798 14.3111 14.3111 15.5456 15.5456 19.1068 19.1068 k = 0.4012 0.2938 0.2866 ( 1502 PWs) bands (ev): -8.8613 -8.8613 -8.7415 -8.7415 2.9603 2.9603 3.3058 3.3058 4.1883 4.1883 4.2087 4.2087 4.8873 4.8873 5.4791 5.4791 6.8065 6.8065 7.3359 7.3359 7.4600 7.4600 7.5585 7.5585 7.8567 7.8567 7.9212 7.9212 8.3048 8.3048 8.3983 8.3983 9.4493 9.4493 9.7127 9.7127 14.2652 14.2652 15.5698 15.5698 19.1181 19.1181 k = 0.4087 0.2992 0.2866 ( 1500 PWs) bands (ev): -8.8512 -8.8512 -8.7279 -8.7279 2.9353 2.9353 3.3240 3.3240 4.1785 4.1785 4.2059 4.2059 4.8658 4.8658 5.4545 5.4545 6.8026 6.8026 7.3391 7.3391 7.4633 7.4633 7.5589 7.5589 7.8637 7.8637 7.9229 7.9229 8.3265 8.3265 8.4155 8.4155 9.4252 9.4252 9.7464 9.7464 14.2211 14.2211 15.5959 15.5959 19.1320 19.1320 k = 0.4161 0.3046 0.2866 ( 1497 PWs) bands (ev): -8.8420 -8.8420 -8.7149 -8.7149 2.9114 2.9114 3.3431 3.3431 4.1676 4.1676 4.2069 4.2069 4.8432 4.8432 5.4301 5.4301 6.7997 6.7997 7.3416 7.3416 7.4664 7.4664 7.5587 7.5587 7.8706 7.8706 7.9255 7.9255 8.3473 8.3473 8.4319 8.4319 9.3998 9.3998 9.7804 9.7804 14.1793 14.1793 15.6241 15.6241 19.1480 19.1480 k = 0.4235 0.3101 0.2866 ( 1497 PWs) bands (ev): -8.8339 -8.8339 -8.7026 -8.7026 2.8887 2.8887 3.3631 3.3631 4.1570 4.1570 4.2099 4.2099 4.8193 4.8193 5.4062 5.4062 6.7977 6.7977 7.3433 7.3433 7.4693 7.4693 7.5578 7.5578 7.8770 7.8770 7.9291 7.9291 8.3670 8.3670 8.4473 8.4473 9.3735 9.3735 9.8147 9.8147 14.1401 14.1401 15.6542 15.6542 19.1656 19.1656 k = 0.4309 0.3155 0.2866 ( 1497 PWs) bands (ev): -8.8268 -8.8268 -8.6909 -8.6909 2.8673 2.8673 3.3839 3.3839 4.1472 4.1472 4.2144 4.2144 4.7943 4.7943 5.3826 5.3826 6.7968 6.7968 7.3443 7.3443 7.4723 7.4723 7.5564 7.5564 7.8825 7.8825 7.9339 7.9339 8.3854 8.3854 8.4618 8.4618 9.3462 9.3462 9.8488 9.8488 14.1040 14.1040 15.6864 15.6864 19.1376 19.1376 k = 0.4384 0.3210 0.2866 ( 1501 PWs) bands (ev): -8.8208 -8.8208 -8.6799 -8.6799 2.8475 2.8475 3.4054 3.4054 4.1383 4.1383 4.2203 4.2203 4.7684 4.7684 5.3596 5.3596 6.7969 6.7969 7.3445 7.3445 7.4754 7.4754 7.5544 7.5544 7.8869 7.8869 7.9398 7.9398 8.4023 8.4023 8.4754 8.4754 9.3181 9.3181 9.8828 9.8828 14.0711 14.0711 15.7206 15.7206 19.0169 19.0169 k = 0.4458 0.3264 0.2866 ( 1500 PWs) bands (ev): -8.8160 -8.8160 -8.6695 -8.6695 2.8291 2.8291 3.4277 3.4277 4.1305 4.1305 4.2274 4.2274 4.7414 4.7414 5.3372 5.3372 6.7981 6.7981 7.3442 7.3442 7.4787 7.4787 7.5521 7.5521 7.8900 7.8900 7.9467 7.9467 8.4178 8.4178 8.4881 8.4881 9.2894 9.2894 9.9163 9.9163 14.0419 14.0419 15.7568 15.7568 18.8992 18.8992 k = 0.4532 0.3318 0.2866 ( 1500 PWs) bands (ev): -8.8123 -8.8123 -8.6599 -8.6599 2.8125 2.8125 3.4505 3.4505 4.1238 4.1238 4.2356 4.2356 4.7137 4.7137 5.3155 5.3155 6.8002 6.8002 7.3433 7.3433 7.4822 7.4822 7.5495 7.5495 7.8917 7.8917 7.9544 7.9544 8.4316 8.4316 8.4998 8.4998 9.2602 9.2602 9.9493 9.9493 14.0165 14.0165 15.7948 15.7948 18.7858 18.7858 k = 0.4607 0.3373 0.2866 ( 1507 PWs) bands (ev): -8.8098 -8.8098 -8.6509 -8.6509 2.7976 2.7976 3.4739 3.4739 4.1179 4.1179 4.2448 4.2448 4.6852 4.6852 5.2945 5.2945 6.8033 6.8033 7.3418 7.3418 7.4858 7.4858 7.5467 7.5467 7.8923 7.8923 7.9624 7.9624 8.4438 8.4438 8.5106 8.5106 9.2304 9.2304 9.9815 9.9815 13.9951 13.9951 15.8344 15.8344 18.6770 18.6770 k = 0.4681 0.3427 0.2866 ( 1507 PWs) bands (ev): -8.8085 -8.8085 -8.6426 -8.6426 2.7846 2.7846 3.4978 3.4978 4.1131 4.1131 4.2551 4.2551 4.6562 4.6562 5.2743 5.2743 6.8073 6.8073 7.3399 7.3399 7.4896 7.4896 7.5440 7.5440 7.8920 7.8920 7.9703 7.9703 8.4543 8.4543 8.5206 8.5206 9.2001 9.2001 10.0129 10.0129 13.9778 13.9778 15.8755 15.8755 18.5734 18.5734 k = 0.4755 0.3482 0.2866 ( 1504 PWs) bands (ev): -8.8085 -8.8085 -8.6351 -8.6351 2.7735 2.7735 3.5220 3.5220 4.1091 4.1091 4.2663 4.2663 4.6268 4.6268 5.2550 5.2550 6.8122 6.8122 7.3377 7.3377 7.4934 7.4934 7.5415 7.5415 7.8909 7.8909 7.9777 7.9777 8.4633 8.4633 8.5297 8.5297 9.1697 9.1697 10.0433 10.0433 13.9649 13.9649 15.9178 15.9178 18.4754 18.4754 k = 0.5000 0.3661-0.1016 ( 1498 PWs) bands (ev): -8.9026 -8.9026 -8.5196 -8.5196 2.3464 2.3464 3.7067 3.7067 3.8103 3.8103 4.4152 4.4152 5.0405 5.0405 5.9757 5.9757 6.5983 6.5983 7.1278 7.1278 7.4495 7.4495 7.5533 7.5533 7.6294 7.6294 7.6934 7.6934 8.2313 8.2313 8.5970 8.5970 9.1365 9.1365 10.9451 10.9451 13.0404 13.0404 16.9785 16.9785 18.2315 18.2315 k = 0.5054 0.3588-0.1016 ( 1496 PWs) bands (ev): -8.9028 -8.9028 -8.5196 -8.5196 2.3473 2.3473 3.7060 3.7060 3.8098 3.8098 4.4154 4.4154 5.0404 5.0404 5.9704 5.9704 6.6026 6.6026 7.1288 7.1288 7.4498 7.4498 7.5534 7.5534 7.6295 7.6295 7.6936 7.6936 8.2318 8.2318 8.5968 8.5968 9.1339 9.1339 10.9447 10.9447 13.0453 13.0453 16.9799 16.9799 18.2267 18.2267 k = 0.5107 0.3515-0.1016 ( 1494 PWs) bands (ev): -8.9034 -8.9034 -8.5196 -8.5196 2.3501 2.3501 3.7042 3.7042 3.8085 3.8085 4.4159 4.4159 5.0401 5.0401 5.9549 5.9549 6.6149 6.6149 7.1316 7.1316 7.4506 7.4506 7.5538 7.5538 7.6297 7.6297 7.6941 7.6941 8.2334 8.2334 8.5961 8.5961 9.1264 9.1264 10.9434 10.9434 13.0598 13.0598 16.9839 16.9839 18.2125 18.2125 k = 0.5161 0.3441-0.1016 ( 1498 PWs) bands (ev): -8.9044 -8.9044 -8.5195 -8.5195 2.3547 2.3547 3.7011 3.7011 3.8062 3.8062 4.4167 4.4167 5.0397 5.0397 5.9305 5.9305 6.6340 6.6340 7.1360 7.1360 7.4518 7.4518 7.5543 7.5543 7.6301 7.6301 7.6948 7.6948 8.2361 8.2361 8.5949 8.5949 9.1138 9.1138 10.9413 10.9413 13.0838 13.0838 16.9907 16.9907 18.1890 18.1890 k = 0.5214 0.3368-0.1016 ( 1496 PWs) bands (ev): -8.9058 -8.9058 -8.5195 -8.5195 2.3611 2.3611 3.6968 3.6968 3.8031 3.8031 4.4177 4.4177 5.0393 5.0393 5.8988 5.8988 6.6586 6.6586 7.1424 7.1424 7.4536 7.4536 7.5552 7.5552 7.6307 7.6307 7.6959 7.6959 8.2399 8.2399 8.5933 8.5933 9.0967 9.0967 10.9383 10.9383 13.1170 13.1170 17.0001 17.0001 18.1566 18.1566 k = 0.5268 0.3295-0.1016 ( 1494 PWs) bands (ev): -8.9076 -8.9076 -8.5194 -8.5194 2.3693 2.3693 3.6913 3.6913 3.7992 3.7992 4.4187 4.4187 5.0390 5.0390 5.8612 5.8612 6.6869 6.6869 7.1502 7.1502 7.4557 7.4557 7.5564 7.5564 7.6315 7.6315 7.6973 7.6973 8.2449 8.2449 8.5912 8.5912 9.0753 9.0753 10.9346 10.9346 13.1590 13.1590 17.0122 17.0122 18.1159 18.1159 k = 0.5321 0.3222-0.1016 ( 1496 PWs) bands (ev): -8.9099 -8.9099 -8.5193 -8.5193 2.3794 2.3794 3.6848 3.6848 3.7943 3.7943 4.4195 4.4195 5.0390 5.0390 5.8192 5.8192 6.7177 6.7177 7.1594 7.1594 7.4581 7.4581 7.5581 7.5581 7.6325 7.6325 7.6990 7.6990 8.2509 8.2509 8.5886 8.5886 9.0499 9.0499 10.9301 10.9301 13.2094 13.2094 17.0269 17.0269 18.0674 18.0674 k = 0.5375 0.3149-0.1016 ( 1501 PWs) bands (ev): -8.9125 -8.9125 -8.5193 -8.5193 2.3912 2.3912 3.6773 3.6773 3.7886 3.7886 4.4201 4.4201 5.0396 5.0396 5.7738 5.7738 6.7499 6.7499 7.1699 7.1699 7.4605 7.4605 7.5602 7.5602 7.6336 7.6336 7.7009 7.7009 8.2579 8.2579 8.5854 8.5854 9.0211 9.0211 10.9247 10.9247 13.2676 13.2676 17.0443 17.0443 18.0119 18.0119 k = 0.5428 0.3076-0.1016 ( 1501 PWs) bands (ev): -8.9156 -8.9156 -8.5192 -8.5192 2.4049 2.4049 3.6688 3.6688 3.7821 3.7821 4.4201 4.4201 5.0408 5.0408 5.7260 5.7260 6.7827 6.7827 7.1815 7.1815 7.4630 7.4630 7.5631 7.5631 7.6350 7.6350 7.7032 7.7032 8.2663 8.2663 8.5819 8.5819 8.9893 8.9893 10.9187 10.9187 13.3330 13.3330 17.0643 17.0643 17.9499 17.9499 k = 0.5482 0.3003-0.1016 ( 1503 PWs) bands (ev): -8.9191 -8.9191 -8.5191 -8.5191 2.4203 2.4203 3.6594 3.6594 3.7747 3.7747 4.4194 4.4194 5.0429 5.0429 5.6764 5.6764 6.8155 6.8155 7.1941 7.1941 7.4652 7.4652 7.5668 7.5668 7.6368 7.6368 7.7057 7.7057 8.2757 8.2757 8.5778 8.5778 8.9549 8.9549 10.9119 10.9119 13.4052 13.4052 17.0869 17.0869 17.8824 17.8824 k = 0.5535 0.2930-0.1016 ( 1505 PWs) bands (ev): -8.9231 -8.9231 -8.5191 -8.5191 2.4375 2.4375 3.6492 3.6492 3.7667 3.7667 4.4179 4.4179 5.0462 5.0462 5.6256 5.6256 6.8479 6.8479 7.2072 7.2072 7.4670 7.4670 7.5714 7.5714 7.6389 7.6389 7.7086 7.7086 8.2862 8.2862 8.5732 8.5732 8.9185 8.9185 10.9044 10.9044 13.4833 13.4833 17.1120 17.1120 17.8101 17.8101 k = 0.5589 0.2857-0.1016 ( 1505 PWs) bands (ev): -8.9275 -8.9275 -8.5190 -8.5190 2.4565 2.4565 3.6381 3.6381 3.7579 3.7579 4.4152 4.4152 5.0509 5.0509 5.5740 5.5740 6.8795 6.8795 7.2208 7.2208 7.4683 7.4683 7.5770 7.5770 7.6414 7.6414 7.7118 7.7118 8.2978 8.2978 8.5682 8.5682 8.8807 8.8807 10.8963 10.8963 13.5669 13.5669 17.1396 17.1396 17.7336 17.7336 k = 0.5642 0.2784-0.1016 ( 1507 PWs) bands (ev): -8.9323 -8.9323 -8.5190 -8.5190 2.4772 2.4772 3.6264 3.6264 3.7485 3.7485 4.4113 4.4113 5.0571 5.0571 5.5220 5.5220 6.9101 6.9101 7.2347 7.2347 7.4689 7.4689 7.5833 7.5833 7.6444 7.6444 7.7154 7.7154 8.3104 8.3104 8.5626 8.5626 8.8418 8.8418 10.8876 10.8876 13.6553 13.6553 17.1697 17.1697 17.6538 17.6538 k = 0.5696 0.2710-0.1016 ( 1507 PWs) bands (ev): -8.9376 -8.9376 -8.5190 -8.5190 2.4996 2.4996 3.6140 3.6140 3.7384 3.7384 4.4061 4.4061 5.0649 5.0649 5.4699 5.4699 6.9395 6.9395 7.2485 7.2485 7.4688 7.4688 7.5901 7.5901 7.6483 7.6483 7.7195 7.7195 8.3239 8.3239 8.5566 8.5566 8.8023 8.8023 10.8783 10.8783 13.7479 13.7479 17.2023 17.2023 17.5713 17.5713 k = 0.5749 0.2637-0.1016 ( 1509 PWs) bands (ev): -8.9434 -8.9434 -8.5191 -8.5191 2.5238 2.5238 3.6010 3.6010 3.7277 3.7277 4.3995 4.3995 5.0745 5.0745 5.4179 5.4179 6.9677 6.9677 7.2620 7.2620 7.4682 7.4682 7.5970 7.5970 7.6531 7.6531 7.7242 7.7242 8.3381 8.3381 8.5500 8.5500 8.7630 8.7630 10.8686 10.8686 13.8440 13.8440 17.2373 17.2373 17.4869 17.4869 k = 0.5803 0.2564-0.1016 ( 1507 PWs) bands (ev): -8.9496 -8.9496 -8.5192 -8.5192 2.5495 2.5495 3.5874 3.5874 3.7165 3.7165 4.3915 4.3915 5.0860 5.0860 5.3662 5.3662 6.9946 6.9946 7.2752 7.2752 7.4670 7.4670 7.6033 7.6033 7.6593 7.6593 7.7299 7.7299 8.3527 8.3527 8.5428 8.5428 8.7244 8.7244 10.8584 10.8584 13.9430 13.9430 17.2745 17.2745 17.4012 17.4012 k = 0.5856 0.2491-0.1016 ( 1505 PWs) bands (ev): -8.9563 -8.9563 -8.5193 -8.5193 2.5770 2.5770 3.5732 3.5732 3.7049 3.7049 4.3822 4.3822 5.0992 5.0992 5.3152 5.3152 7.0201 7.0201 7.2877 7.2877 7.4655 7.4655 7.6085 7.6085 7.6669 7.6669 7.7366 7.7366 8.3671 8.3671 8.5349 8.5349 8.6871 8.6871 10.8478 10.8478 14.0444 14.0444 17.3073 17.3073 17.3215 17.3215 k = 0.5910 0.2418-0.1016 ( 1509 PWs) bands (ev): -8.9635 -8.9635 -8.5196 -8.5196 2.6060 2.6060 3.5585 3.5585 3.6929 3.6929 4.3716 4.3716 5.1141 5.1141 5.2649 5.2649 7.0440 7.0440 7.2993 7.2993 7.4637 7.4637 7.6123 7.6123 7.6756 7.6756 7.7448 7.7448 8.3805 8.3805 8.5265 8.5265 8.6521 8.6521 10.8368 10.8368 14.1475 14.1475 17.2268 17.2268 17.3572 17.3572 k = 0.5963 0.2345-0.1016 ( 1511 PWs) bands (ev): -8.9712 -8.9712 -8.5199 -8.5199 2.6367 2.6367 3.5433 3.5433 3.6805 3.6805 4.3598 4.3598 5.1305 5.1305 5.2158 5.2158 7.0667 7.0667 7.3099 7.3099 7.4620 7.4620 7.6148 7.6148 7.6848 7.6848 7.7547 7.7547 8.3915 8.3915 8.5179 8.5179 8.6209 8.6209 10.8256 10.8256 14.2518 14.2518 17.1403 17.1403 17.4013 17.4013 k = 0.6017 0.2272-0.1016 ( 1513 PWs) bands (ev): -8.9794 -8.9794 -8.5202 -8.5202 2.6689 2.6689 3.5275 3.5275 3.6680 3.6680 4.3469 4.3469 5.1452 5.1452 5.1709 5.1709 7.0881 7.0881 7.3192 7.3192 7.4604 7.4604 7.6161 7.6161 7.6938 7.6938 7.7668 7.7668 8.3974 8.3974 8.5101 8.5101 8.5951 8.5951 10.8142 10.8142 14.3565 14.3565 17.0544 17.0544 17.4478 17.4478 k = 0.6070 0.2199-0.1016 ( 1513 PWs) bands (ev): -8.9882 -8.9882 -8.5207 -8.5207 2.7027 2.7027 3.5112 3.5112 3.6554 3.6554 4.3331 4.3331 5.1162 5.1162 5.1724 5.1724 7.1082 7.1082 7.3272 7.3272 7.4593 7.4593 7.6164 7.6164 7.7023 7.7023 7.7809 7.7809 8.3949 8.3949 8.5045 8.5045 8.5768 8.5768 10.8026 10.8026 14.4610 14.4610 16.9697 16.9697 17.4966 17.4966 k = 0.6124 0.2126-0.1016 ( 1513 PWs) bands (ev): -8.9974 -8.9974 -8.5213 -8.5213 2.7379 2.7379 3.4944 3.4944 3.6427 3.6427 4.3186 4.3186 5.0708 5.0708 5.1930 5.1930 7.1270 7.1270 7.3335 7.3335 7.4588 7.4588 7.6158 7.6158 7.7101 7.7101 7.7969 7.7969 8.3823 8.3823 8.5006 8.5006 8.5682 8.5682 10.7910 10.7910 14.5648 14.5648 16.8864 16.8864 17.5475 17.5475 k = 0.3876-0.5294 0.0000 ( 1513 PWs) bands (ev): -8.9974 -8.9974 -8.5213 -8.5213 2.7379 2.7379 3.4944 3.4944 3.6427 3.6427 4.3186 4.3186 5.0708 5.0708 5.1930 5.1930 7.1270 7.1270 7.3335 7.3335 7.4588 7.4588 7.6158 7.6158 7.7101 7.7101 7.7969 7.7969 8.3823 8.3823 8.5006 8.5006 8.5682 8.5682 10.7910 10.7910 14.5648 14.5648 16.8864 16.8864 17.5475 17.5475 k = 0.3822-0.5221-0.0000 ( 1515 PWs) bands (ev): -9.0072 -9.0072 -8.5220 -8.5220 2.7748 2.7748 3.4770 3.4770 3.6301 3.6301 4.3035 4.3035 5.0256 5.0256 5.2159 5.2159 7.1447 7.1447 7.3380 7.3380 7.4592 7.4592 7.6145 7.6145 7.7172 7.7172 7.8145 7.8145 8.3615 8.3615 8.4954 8.4954 8.5701 8.5701 10.7793 10.7793 14.6677 14.6677 16.8047 16.8047 17.6009 17.6009 k = 0.3768-0.5147-0.0000 ( 1513 PWs) bands (ev): -9.0176 -9.0176 -8.5228 -8.5228 2.8131 2.8131 3.4591 3.4591 3.6176 3.6176 4.2878 4.2878 4.9816 4.9816 5.2401 5.2401 7.1613 7.1613 7.3408 7.3408 7.4606 7.4606 7.6126 7.6126 7.7238 7.7238 7.8332 7.8332 8.3358 8.3358 8.4878 8.4878 8.5809 8.5809 10.7678 10.7678 14.7685 14.7685 16.7252 16.7252 17.6563 17.6563 k = 0.3715-0.5074-0.0000 ( 1511 PWs) bands (ev): -9.0285 -9.0285 -8.5237 -8.5237 2.8527 2.8527 3.4406 3.4406 3.6055 3.6055 4.2719 4.2719 4.9389 4.9389 5.2656 5.2656 7.1767 7.1767 7.3419 7.3419 7.4631 7.4631 7.6102 7.6102 7.7299 7.7299 7.8525 7.8525 8.3078 8.3078 8.4783 8.4783 8.5971 8.5971 10.7564 10.7564 14.8663 14.8663 16.6482 16.6482 17.7139 17.7139 k = 0.3661-0.5000-0.0000 ( 1511 PWs) bands (ev): -9.0400 -9.0400 -8.5248 -8.5248 2.8936 2.8936 3.4216 3.4216 3.5938 3.5938 4.2559 4.2559 4.8976 4.8976 5.2922 5.2922 7.1908 7.1908 7.3413 7.3413 7.4663 7.4663 7.6074 7.6074 7.7356 7.7356 7.8720 7.8720 8.2790 8.2790 8.4679 8.4679 8.6164 8.6164 10.7452 10.7452 14.9606 14.9606 16.5741 16.5741 17.7734 17.7734 k = 0.3607-0.4927 0.0000 ( 1513 PWs) bands (ev): -9.0521 -9.0521 -8.5260 -8.5260 2.9357 2.9357 3.4022 3.4022 3.5826 3.5826 4.2399 4.2399 4.8578 4.8578 5.3197 5.3197 7.2037 7.2037 7.3395 7.3395 7.4703 7.4703 7.6042 7.6042 7.7410 7.7410 7.8915 7.8915 8.2502 8.2502 8.4570 8.4570 8.6374 8.6374 10.7344 10.7344 15.0504 15.0504 16.5032 16.5032 17.8350 17.8350 k = 0.3553-0.4853 0.0000 ( 1511 PWs) bands (ev): -9.0647 -9.0647 -8.5274 -8.5274 2.9788 2.9788 3.3823 3.3823 3.5721 3.5721 4.2241 4.2241 4.8194 4.8194 5.3480 5.3480 7.2155 7.2155 7.3367 7.3367 7.4747 7.4747 7.6008 7.6008 7.7461 7.7461 7.9106 7.9106 8.2224 8.2224 8.4456 8.4456 8.6597 8.6597 10.7239 10.7239 15.1351 15.1351 16.4355 16.4355 17.8984 17.8984 k = 0.3499-0.4779 0.0000 ( 1511 PWs) bands (ev): -9.0778 -9.0778 -8.5289 -8.5289 3.0227 3.0227 3.3622 3.3622 3.5624 3.5624 4.2086 4.2086 4.7827 4.7827 5.3771 5.3771 7.2260 7.2260 7.3333 7.3333 7.4793 7.4793 7.5973 7.5973 7.7508 7.7508 7.9290 7.9290 8.1956 8.1956 8.4338 8.4338 8.6825 8.6825 10.7138 10.7138 15.2139 15.2139 16.3714 16.3714 17.9638 17.9638 k = 0.3445-0.4706 0.0000 ( 1511 PWs) bands (ev): -9.0915 -9.0915 -8.5306 -8.5306 3.0670 3.0670 3.3421 3.3421 3.5536 3.5536 4.1934 4.1934 4.7475 4.7475 5.4068 5.4068 7.2351 7.2351 7.3296 7.3296 7.4838 7.4838 7.5938 7.5938 7.7553 7.7553 7.9462 7.9462 8.1705 8.1705 8.4217 8.4217 8.7058 8.7058 10.7043 10.7043 15.2860 15.2860 16.3110 16.3110 18.0309 18.0309 k = 0.3392-0.4632-0.0000 ( 1513 PWs) bands (ev): -9.1058 -9.1058 -8.5325 -8.5325 3.1108 3.1108 3.3230 3.3230 3.5458 3.5458 4.1788 4.1788 4.7139 4.7139 5.4370 5.4370 7.2426 7.2426 7.3259 7.3259 7.4880 7.4880 7.5904 7.5904 7.7595 7.7595 7.9620 7.9620 8.1473 8.1473 8.4093 8.4093 8.7293 8.7293 10.6952 10.6952 15.3506 15.3506 16.2545 16.2545 18.0998 18.0998 k = 0.3338-0.4559-0.0000 ( 1511 PWs) bands (ev): -9.1207 -9.1207 -8.5346 -8.5346 3.1517 3.1517 3.3071 3.3071 3.5392 3.5392 4.1648 4.1648 4.6820 4.6820 5.4678 5.4678 7.2484 7.2484 7.3228 7.3228 7.4917 7.4917 7.5874 7.5874 7.7633 7.7633 7.9755 7.9755 8.1269 8.1269 8.3966 8.3966 8.7530 8.7530 10.6868 10.6868 15.4072 15.4072 16.2020 16.2020 18.1704 18.1704 k = 0.3284-0.4485-0.0000 ( 1509 PWs) bands (ev): -9.1361 -9.1361 -8.5369 -8.5369 3.1833 3.1833 3.3008 3.3008 3.5339 3.5339 4.1515 4.1515 4.6516 4.6516 5.4988 5.4988 7.2522 7.2522 7.3204 7.3204 7.4948 7.4948 7.5849 7.5849 7.7667 7.7667 7.9855 7.9855 8.1103 8.1103 8.3836 8.3836 8.7767 8.7767 10.6789 10.6789 15.4552 15.4552 16.1537 16.1537 18.2426 18.2426 k = 0.3230-0.4412-0.0000 ( 1511 PWs) bands (ev): -9.1520 -9.1520 -8.5393 -8.5393 3.1937 3.1937 3.3157 3.3157 3.5300 3.5300 4.1389 4.1389 4.6229 4.6229 5.5302 5.5302 7.2538 7.2538 7.3191 7.3191 7.4969 7.4969 7.5830 7.5830 7.7697 7.7697 7.9905 7.9905 8.0990 8.0990 8.3703 8.3703 8.8003 8.8003 10.6716 10.6716 15.4939 15.4939 16.1096 16.1096 18.3162 18.3162 k = 0.3176-0.4338 0.0000 ( 1509 PWs) bands (ev): -9.1685 -9.1685 -8.5420 -8.5420 3.1834 3.1834 3.3515 3.3515 3.5276 3.5276 4.1273 4.1273 4.5958 4.5958 5.5618 5.5618 7.2533 7.2533 7.3190 7.3190 7.4981 7.4981 7.5821 7.5821 7.7722 7.7722 7.9891 7.9891 8.0944 8.0944 8.3568 8.3568 8.8238 8.8238 10.6649 10.6649 15.5231 15.5231 16.0699 16.0699 18.3912 18.3912 k = 0.3122-0.4265 0.0000 ( 1507 PWs) bands (ev): -9.1855 -9.1855 -8.5449 -8.5449 3.1633 3.1633 3.3971 3.3971 3.5267 3.5267 4.1166 4.1166 4.5704 4.5704 5.5936 5.5936 7.2508 7.2508 7.3198 7.3198 7.4983 7.4983 7.5819 7.5819 7.7741 7.7741 7.9819 7.9819 8.0959 8.0959 8.3431 8.3431 8.8472 8.8472 10.6589 10.6589 15.5426 15.5426 16.0345 16.0345 18.4674 18.4674 k = 0.3069-0.4191-0.0000 ( 1503 PWs) bands (ev): -9.2031 -9.2031 -8.5479 -8.5479 3.1389 3.1389 3.4469 3.4469 3.5276 3.5276 4.1068 4.1068 4.5465 4.5465 5.6256 5.6256 7.2469 7.2469 7.3213 7.3213 7.4976 7.4976 7.5826 7.5826 7.7755 7.7755 7.9708 7.9708 8.1014 8.1014 8.3292 8.3292 8.8704 8.8704 10.6534 10.6534 15.5521 15.5521 16.0036 16.0036 18.5445 18.5445 k = 0.3015-0.4118 0.0000 ( 1505 PWs) bands (ev): -9.2212 -9.2212 -8.5512 -8.5512 3.1121 3.1121 3.4990 3.4990 3.5304 3.5304 4.0982 4.0982 4.5243 4.5243 5.6575 5.6575 7.2418 7.2418 7.3230 7.3230 7.4959 7.4959 7.5839 7.5839 7.7762 7.7762 7.9578 7.9578 8.1089 8.1089 8.3153 8.3153 8.8934 8.8934 10.6485 10.6485 15.5519 15.5519 15.9772 15.9772 18.6223 18.6223 k = 0.2961-0.4044-0.0000 ( 1507 PWs) bands (ev): -9.2398 -9.2398 -8.5548 -8.5548 3.0837 3.0837 3.5346 3.5346 3.5527 3.5527 4.0907 4.0907 4.5037 4.5037 5.6894 5.6894 7.2357 7.2357 7.3246 7.3246 7.4937 7.4937 7.5857 7.5857 7.7763 7.7763 7.9441 7.9441 8.1170 8.1170 8.3015 8.3015 8.9163 8.9163 10.6442 10.6442 15.5421 15.5421 15.9552 15.9552 18.7003 18.7003 k = 0.2907-0.3971-0.0000 ( 1505 PWs) bands (ev): -9.2588 -9.2588 -8.5585 -8.5585 3.0540 3.0540 3.5413 3.5413 3.6068 3.6068 4.0845 4.0845 4.4847 4.4847 5.7213 5.7213 7.2291 7.2291 7.3262 7.3262 7.4910 7.4910 7.5880 7.5880 7.7757 7.7757 7.9304 7.9304 8.1251 8.1251 8.2879 8.2879 8.9390 8.9390 10.6405 10.6405 15.5230 15.5230 15.9378 15.9378 18.7781 18.7781 k = 0.2853-0.3897-0.0000 ( 1505 PWs) bands (ev): -9.2783 -9.2783 -8.5624 -8.5624 3.0233 3.0233 3.5499 3.5499 3.6615 3.6615 4.0797 4.0797 4.4673 4.4673 5.7530 5.7530 7.2219 7.2219 7.3274 7.3274 7.4880 7.4880 7.5906 7.5906 7.7744 7.7744 7.9171 7.9171 8.1324 8.1324 8.2746 8.2746 8.9614 8.9614 10.6372 10.6372 15.4951 15.4951 15.9248 15.9248 18.8551 18.8551 k = 0.2799-0.3824 0.0000 ( 1503 PWs) bands (ev): -9.2983 -9.2983 -8.5665 -8.5665 2.9916 2.9916 3.5605 3.5605 3.7162 3.7162 4.0767 4.0767 4.4515 4.4515 5.7845 5.7845 7.2144 7.2144 7.3283 7.3283 7.4849 7.4849 7.5933 7.5933 7.7724 7.7724 7.9044 7.9044 8.1384 8.1384 8.2620 8.2620 8.9836 8.9836 10.6344 10.6344 15.4588 15.4588 15.9162 15.9162 18.9302 18.9302 k = 0.2746-0.3750 0.0000 ( 1505 PWs) bands (ev): -9.3187 -9.3187 -8.5709 -8.5709 2.9591 2.9591 3.5734 3.5734 3.7703 3.7703 4.0759 4.0759 4.4372 4.4372 5.8158 5.8158 7.2064 7.2064 7.3288 7.3288 7.4818 7.4818 7.5960 7.5960 7.7696 7.7696 7.8922 7.8922 8.1428 8.1428 8.2506 8.2506 9.0057 9.0057 10.6319 10.6319 15.4148 15.4148 15.9120 15.9120 19.0026 19.0026 k = 0.2692-0.3676-0.0000 ( 1507 PWs) bands (ev): -9.3395 -9.3395 -8.5755 -8.5755 2.9259 2.9259 3.5884 3.5884 3.8229 3.8229 4.0782 4.0782 4.4244 4.4244 5.8468 5.8468 7.1981 7.1981 7.3290 7.3290 7.4787 7.4787 7.5986 7.5986 7.7661 7.7661 7.8808 7.8808 8.1448 8.1448 8.2410 8.2410 9.0276 9.0276 10.6299 10.6299 15.3635 15.3635 15.9121 15.9121 19.0706 19.0707 k = 0.2638-0.3603-0.0000 ( 1511 PWs) bands (ev): -9.3606 -9.3606 -8.5803 -8.5803 2.8919 2.8919 3.6057 3.6057 3.8722 3.8722 4.0852 4.0852 4.4131 4.4131 5.8775 5.8775 7.1895 7.1895 7.3287 7.3287 7.4758 7.4758 7.6010 7.6010 7.7619 7.7619 7.8698 7.8698 8.1439 8.1439 8.2338 8.2338 9.0494 9.0494 10.6282 10.6282 15.3055 15.3055 15.9165 15.9165 19.1327 19.1327 k = 0.2584-0.3529 0.0000 ( 1511 PWs) bands (ev): -9.3822 -9.3822 -8.5852 -8.5852 2.8573 2.8573 3.6252 3.6252 3.9157 3.9157 4.0994 4.0994 4.4033 4.4033 5.9079 5.9079 7.1805 7.1805 7.3283 7.3283 7.4730 7.4730 7.6032 7.6032 7.7570 7.7570 7.8596 7.8596 8.1395 8.1395 8.2294 8.2294 9.0711 9.0711 10.6269 10.6269 15.2415 15.2415 15.9251 15.9251 19.1868 19.1868 k = 0.2530-0.3456-0.0000 ( 1507 PWs) bands (ev): -9.4040 -9.4040 -8.5904 -8.5904 2.8221 2.8221 3.6472 3.6472 3.9501 3.9501 4.1241 4.1241 4.3949 4.3949 5.9379 5.9379 7.1713 7.1713 7.3277 7.3277 7.4704 7.4704 7.6051 7.6051 7.7517 7.7517 7.8499 7.8499 8.1321 8.1321 8.2277 8.2277 9.0927 9.0927 10.6258 10.6258 15.1720 15.1720 15.9378 15.9378 19.2307 19.2307 k = 0.2476-0.3382-0.0000 ( 1503 PWs) bands (ev): -9.4262 -9.4262 -8.5958 -8.5958 2.7864 2.7864 3.6714 3.6714 3.9738 3.9738 4.1605 4.1605 4.3880 4.3880 5.9674 5.9674 7.1618 7.1618 7.3270 7.3270 7.4681 7.4681 7.6069 7.6069 7.7458 7.7458 7.8407 7.8407 8.1222 8.1222 8.2280 8.2280 9.1142 9.1142 10.6250 10.6250 15.0975 15.0975 15.9545 15.9545 19.2624 19.2624 k = 0.2423-0.3309-0.0000 ( 1501 PWs) bands (ev): -9.4486 -9.4486 -8.6013 -8.6013 2.7502 2.7502 3.6980 3.6980 3.9891 3.9891 4.2064 4.2064 4.3824 4.3824 5.9966 5.9966 7.1519 7.1519 7.3261 7.3261 7.4660 7.4660 7.6081 7.6081 7.7395 7.7395 7.8319 7.8319 8.1105 8.1105 8.2294 8.2294 9.1356 9.1356 10.6245 10.6245 15.0185 15.0185 15.9750 15.9750 19.2802 19.2802 k = 0.2369-0.3235 0.0000 ( 1499 PWs) bands (ev): -9.4712 -9.4712 -8.6070 -8.6070 2.7136 2.7136 3.7270 3.7270 3.9991 3.9991 4.2586 4.2586 4.3782 4.3782 6.0253 6.0253 7.1418 7.1418 7.3251 7.3251 7.4640 7.4640 7.6089 7.6089 7.7329 7.7329 7.8233 7.8233 8.0976 8.0976 8.2316 8.2316 9.1571 9.1571 10.6242 10.6242 14.9356 14.9356 15.9993 15.9993 19.2831 19.2831 k = 0.2315-0.3162 0.0000 ( 1497 PWs) bands (ev): -9.4940 -9.4940 -8.6129 -8.6129 2.6767 2.6767 3.7583 3.7583 4.0063 4.0063 4.3144 4.3144 4.3754 4.3754 6.0535 6.0535 7.1315 7.1315 7.3241 7.3241 7.4621 7.4621 7.6093 7.6093 7.7259 7.7259 7.8149 7.8149 8.0841 8.0841 8.2340 8.2340 9.1785 9.1785 10.6242 10.6242 14.8491 14.8491 16.0272 16.0272 19.2708 19.2708 k = 0.2261-0.3088-0.0000 ( 1495 PWs) bands (ev): -9.5170 -9.5170 -8.6189 -8.6189 2.6395 2.6395 3.7920 3.7920 4.0121 4.0121 4.3675 4.3675 4.3788 4.3788 6.0812 6.0812 7.1208 7.1208 7.3232 7.3232 7.4605 7.4605 7.6093 7.6093 7.7188 7.7188 7.8067 7.8067 8.0700 8.0700 8.2365 8.2365 9.1999 9.1999 10.6243 10.6243 14.7594 14.7594 16.0585 16.0585 19.2439 19.2439 k = 0.2207-0.3015 0.0000 ( 1493 PWs) bands (ev): -9.5402 -9.5402 -8.6251 -8.6251 2.6020 2.6020 3.8281 3.8281 4.0172 4.0172 4.3720 4.3720 4.4334 4.4334 6.1085 6.1085 7.1099 7.1099 7.3221 7.3221 7.4590 7.4590 7.6087 7.6087 7.7115 7.7115 7.7987 7.7987 8.0556 8.0556 8.2388 8.2388 9.2214 9.2214 10.6248 10.6248 14.6670 14.6670 16.0930 16.0930 19.2035 19.2035 k = 0.2153-0.2941 0.0000 ( 1495 PWs) bands (ev): -9.5634 -9.5634 -8.6314 -8.6314 2.5644 2.5644 3.8664 3.8664 4.0222 4.0222 4.3729 4.3729 4.4937 4.4937 6.1352 6.1352 7.0988 7.0988 7.3211 7.3211 7.4576 7.4576 7.6074 7.6074 7.7041 7.7041 7.7907 7.7907 8.0410 8.0410 8.2409 8.2409 9.2430 9.2430 10.6254 10.6254 14.5722 14.5722 16.1307 16.1307 19.1508 19.1508 k = 0.2100-0.2868 0.0000 ( 1497 PWs) bands (ev): -9.5867 -9.5867 -8.6378 -8.6378 2.5267 2.5267 3.9070 3.9070 4.0272 4.0272 4.3746 4.3746 4.5547 4.5547 6.1615 6.1615 7.0875 7.0875 7.3200 7.3200 7.4564 7.4564 7.6056 7.6056 7.6967 7.6967 7.7828 7.7828 8.0262 8.0262 8.2427 8.2427 9.2648 9.2648 10.6264 10.6264 14.4752 14.4752 16.1712 16.1712 19.0874 19.0874 k = 0.2046-0.2794-0.0000 ( 1497 PWs) bands (ev): -9.6100 -9.6100 -8.6443 -8.6443 2.4889 2.4889 3.9496 3.9496 4.0325 4.0325 4.3774 4.3774 4.6163 4.6163 6.1874 6.1874 7.0760 7.0760 7.3189 7.3189 7.4554 7.4554 7.6032 7.6032 7.6892 7.6892 7.7749 7.7749 8.0113 8.0113 8.2441 8.2441 9.2866 9.2866 10.6276 10.6276 14.3765 14.3765 16.2146 16.2146 19.0146 19.0146 k = 0.1992-0.2721 0.0000 ( 1495 PWs) bands (ev): -9.6333 -9.6333 -8.6509 -8.6509 2.4512 2.4512 3.9936 3.9936 4.0389 4.0389 4.3811 4.3811 4.6781 4.6781 6.2128 6.2128 7.0644 7.0644 7.3178 7.3178 7.4545 7.4545 7.6002 7.6002 7.6817 7.6817 7.7672 7.7672 7.9962 7.9962 8.2452 8.2452 9.3087 9.3087 10.6291 10.6291 14.2762 14.2762 16.2604 16.2604 18.9337 18.9337 k = 0.1938-0.2647-0.0000 ( 1495 PWs) bands (ev): -9.6565 -9.6565 -8.6576 -8.6576 2.4135 2.4135 4.0318 4.0318 4.0535 4.0535 4.3858 4.3858 4.7399 4.7399 6.2377 6.2377 7.0528 7.0528 7.3166 7.3166 7.4537 7.4537 7.5966 7.5966 7.6742 7.6742 7.7594 7.7594 7.9810 7.9810 8.2458 8.2458 9.3310 9.3310 10.6310 10.6310 14.1746 14.1746 16.3086 16.3086 18.8460 18.8460 k = 0.1884-0.2574-0.0000 ( 1493 PWs) bands (ev): -9.6797 -9.6797 -8.6644 -8.6644 2.3760 2.3760 4.0445 4.0445 4.0959 4.0959 4.3914 4.3914 4.8019 4.8019 6.2623 6.2623 7.0410 7.0410 7.3152 7.3152 7.4531 7.4531 7.5925 7.5925 7.6667 7.6667 7.7518 7.7518 7.9655 7.9655 8.2461 8.2461 9.3535 9.3535 10.6332 10.6332 14.0721 14.0721 16.3590 16.3590 18.7525 18.7525 k = 0.1830-0.2500-0.0000 ( 1495 PWs) bands (ev): -9.7027 -9.7027 -8.6712 -8.6712 2.3387 2.3387 4.0514 4.0514 4.1464 4.1464 4.3980 4.3980 4.8638 4.8638 6.2864 6.2864 7.0293 7.0293 7.3136 7.3136 7.4526 7.4526 7.5877 7.5877 7.6591 7.6591 7.7441 7.7441 7.9499 7.9499 8.2460 8.2460 9.3763 9.3763 10.6358 10.6358 13.9687 13.9687 16.4113 16.4113 18.6542 18.6542 k = 0.1777-0.2426 0.0000 ( 1493 PWs) bands (ev): -9.7255 -9.7255 -8.6781 -8.6781 2.3017 2.3017 4.0578 4.0578 4.1994 4.1994 4.4055 4.4055 4.9255 4.9255 6.3102 6.3102 7.0176 7.0176 7.3118 7.3118 7.4522 7.4522 7.5824 7.5824 7.6514 7.6514 7.7366 7.7366 7.9341 7.9341 8.2454 8.2454 9.3994 9.3994 10.6387 10.6387 13.8648 13.8648 16.4654 16.4654 18.5518 18.5518 k = 0.1723-0.2353-0.0000 ( 1493 PWs) bands (ev): -9.7481 -9.7481 -8.6850 -8.6850 2.2650 2.2650 4.0641 4.0641 4.2543 4.2543 4.4141 4.4141 4.9871 4.9871 6.3337 6.3337 7.0058 7.0058 7.3098 7.3098 7.4519 7.4519 7.5767 7.5767 7.6437 7.6437 7.7290 7.7290 7.9180 7.9180 8.2444 8.2444 9.4227 9.4227 10.6420 10.6420 13.7605 13.7605 16.5210 16.5210 18.4462 18.4462 k = 0.1669-0.2279-0.0000 ( 1495 PWs) bands (ev): -9.7705 -9.7705 -8.6918 -8.6918 2.2288 2.2288 4.0705 4.0705 4.3100 4.3100 4.4246 4.4246 5.0485 5.0485 6.3568 6.3568 6.9942 6.9942 7.3073 7.3073 7.4515 7.4515 7.5704 7.5704 7.6358 7.6358 7.7214 7.7214 7.9017 7.9017 8.2431 8.2431 9.4464 9.4464 10.6458 10.6458 13.6561 13.6561 16.5779 16.5779 18.3379 18.3379 k = 0.1615-0.2206 0.0000 ( 1497 PWs) bands (ev): -9.7926 -9.7926 -8.6987 -8.6987 2.1929 2.1929 4.0771 4.0771 4.3641 4.3641 4.4390 4.4390 5.1096 5.1096 6.3797 6.3797 6.9826 6.9826 7.3044 7.3044 7.4511 7.4511 7.5636 7.5636 7.6279 7.6279 7.7138 7.7138 7.8851 7.8851 8.2413 8.2413 9.4704 9.4704 10.6500 10.6500 13.5517 13.5517 16.6360 16.6360 18.2276 18.2276 k = 0.1561-0.2132 0.0000 ( 1495 PWs) bands (ev): -9.8144 -9.8144 -8.7056 -8.7056 2.1577 2.1577 4.0838 4.0838 4.4076 4.4076 4.4665 4.4665 5.1704 5.1704 6.4023 6.4023 6.9712 6.9712 7.3012 7.3012 7.4507 7.4507 7.5565 7.5565 7.6200 7.6200 7.7060 7.7060 7.8685 7.8685 8.2393 8.2393 9.4948 9.4948 10.6546 10.6546 13.4477 13.4477 16.6950 16.6950 18.1159 18.1159 k = 0.1507-0.2059 0.0000 ( 1493 PWs) bands (ev): -9.8359 -9.8359 -8.7124 -8.7124 2.1229 2.1229 4.0906 4.0906 4.4313 4.4313 4.5159 4.5159 5.2308 5.2308 6.4247 6.4247 6.9599 6.9599 7.2975 7.2975 7.4499 7.4499 7.5489 7.5489 7.6122 7.6122 7.6981 7.6981 7.8516 7.8516 8.2368 8.2368 9.5195 9.5195 10.6596 10.6596 13.3441 13.3441 16.7547 16.7547 18.0032 18.0032 k = 0.1454-0.1985-0.0000 ( 1495 PWs) bands (ev): -9.8569 -9.8569 -8.7191 -8.7191 2.0889 2.0889 4.0973 4.0973 4.4457 4.4457 4.5767 4.5767 5.2909 5.2909 6.4469 6.4469 6.9487 6.9487 7.2934 7.2934 7.4488 7.4488 7.5408 7.5408 7.6043 7.6043 7.6899 7.6899 7.8347 7.8347 8.2341 8.2341 9.5445 9.5445 10.6651 10.6651 13.2411 13.2411 16.8149 16.8149 17.8899 17.8899 k = 0.1400-0.1912 0.0000 ( 1491 PWs) bands (ev): -9.8775 -9.8775 -8.7258 -8.7258 2.0555 2.0555 4.1042 4.1042 4.4576 4.4576 4.6418 4.6418 5.3505 5.3505 6.4688 6.4688 6.9377 6.9377 7.2887 7.2887 7.4473 7.4473 7.5323 7.5323 7.5968 7.5968 7.6815 7.6815 7.8178 7.8178 8.2310 8.2310 9.5698 9.5698 10.6709 10.6709 13.1391 13.1391 16.8754 16.8754 17.7766 17.7766 k = 0.1346-0.1838-0.0000 ( 1491 PWs) bands (ev): -9.8976 -9.8976 -8.7323 -8.7323 2.0229 2.0229 4.1111 4.1111 4.4687 4.4687 4.7093 4.7093 5.4098 5.4098 6.4906 6.4906 6.9270 6.9270 7.2834 7.2834 7.4449 7.4449 7.5231 7.5231 7.5895 7.5895 7.6726 7.6726 7.8012 7.8012 8.2277 8.2277 9.5954 9.5954 10.6771 10.6771 13.0382 13.0382 16.9359 16.9359 17.6635 17.6635 k = 0.1292-0.1765 0.0000 ( 1489 PWs) bands (ev): -9.9173 -9.9173 -8.7388 -8.7388 1.9911 1.9911 4.1179 4.1179 4.4795 4.4795 4.7788 4.7788 5.4685 5.4685 6.5122 6.5122 6.9165 6.9165 7.2775 7.2775 7.4417 7.4417 7.5135 7.5135 7.5824 7.5824 7.6634 7.6634 7.7848 7.7848 8.2242 8.2242 9.6213 9.6213 10.6836 10.6836 12.9385 12.9385 16.9963 16.9963 17.5512 17.5512 k = 0.1238-0.1691-0.0000 ( 1491 PWs) bands (ev): -9.9364 -9.9364 -8.7451 -8.7451 1.9602 1.9602 4.1247 4.1247 4.4901 4.4901 4.8498 4.8498 5.5268 5.5268 6.5336 6.5336 6.9063 6.9063 7.2709 7.2709 7.4374 7.4374 7.5032 7.5032 7.5754 7.5754 7.6538 7.6538 7.7689 7.7689 8.2204 8.2204 9.6474 9.6474 10.6904 10.6904 12.8404 12.8404 17.0564 17.0564 17.4398 17.4398 k = 0.1184-0.1618-0.0000 ( 1491 PWs) bands (ev): -9.9550 -9.9550 -8.7513 -8.7513 1.9302 1.9302 4.1315 4.1315 4.5005 4.5005 4.9222 4.9222 5.5845 5.5845 6.5549 6.5549 6.8964 6.8964 7.2635 7.2635 7.4317 7.4317 7.4924 7.4924 7.5685 7.5685 7.6440 7.6440 7.7538 7.7538 8.2165 8.2165 9.6737 9.6737 10.6976 10.6976 12.7440 12.7440 17.1158 17.1158 17.3299 17.3299 k = 0.1131-0.1544-0.0000 ( 1487 PWs) bands (ev): -9.9729 -9.9729 -8.7574 -8.7574 1.9012 1.9012 4.1382 4.1382 4.5108 4.5108 4.9957 4.9957 5.6417 5.6417 6.5759 6.5759 6.8868 6.8868 7.2554 7.2554 7.4245 7.4245 7.4812 7.4812 7.5614 7.5614 7.6343 7.6343 7.7396 7.7396 8.2124 8.2124 9.7002 9.7002 10.7050 10.7050 12.6496 12.6496 17.1744 17.1744 17.2218 17.2218 k = 0.1077-0.1471 0.0000 ( 1487 PWs) bands (ev): -9.9902 -9.9902 -8.7633 -8.7633 1.8731 1.8731 4.1447 4.1447 4.5210 4.5210 5.0703 5.0703 5.6983 5.6983 6.5967 6.5967 6.8776 6.8776 7.2463 7.2463 7.4156 7.4156 7.4695 7.4695 7.5535 7.5535 7.6251 7.6251 7.7264 7.7264 8.2082 8.2082 9.7266 9.7266 10.7125 10.7125 12.5574 12.5574 17.1153 17.1153 17.2324 17.2324 k = 0.1023-0.1397-0.0000 ( 1487 PWs) bands (ev): -10.0069 -10.0069 -8.7690 -8.7690 1.8462 1.8462 4.1512 4.1512 4.5309 4.5309 5.1458 5.1458 5.7544 5.7544 6.6172 6.6172 6.8687 6.8687 7.2361 7.2361 7.4048 7.4048 7.4573 7.4573 7.5447 7.5447 7.6168 7.6168 7.7143 7.7143 8.2040 8.2040 9.7530 9.7530 10.7202 10.7202 12.4677 12.4677 17.0116 17.0116 17.2889 17.2889 k = 0.0969-0.1324 0.0000 ( 1483 PWs) bands (ev): -10.0229 -10.0229 -8.7745 -8.7745 1.8203 1.8203 4.1574 4.1574 4.5405 4.5405 5.2220 5.2220 5.8099 5.8099 6.6373 6.6373 6.8602 6.8602 7.2248 7.2248 7.3921 7.3921 7.4447 7.4447 7.5347 7.5347 7.6099 7.6099 7.7034 7.7034 8.1998 8.1998 9.7793 9.7793 10.7279 10.7279 12.3806 12.3806 16.9104 16.9104 17.3440 17.3440 k = 0.0915-0.1250-0.0000 ( 1479 PWs) bands (ev): -10.0382 -10.0382 -8.7797 -8.7797 1.7956 1.7956 4.1635 4.1635 4.5499 4.5499 5.2988 5.2988 5.8648 5.8648 6.6570 6.6570 6.8521 6.8521 7.2121 7.2121 7.3777 7.3777 7.4313 7.4313 7.5240 7.5240 7.6042 7.6042 7.6937 7.6937 8.1956 8.1956 9.8053 9.8053 10.7357 10.7357 12.2964 12.2964 16.8123 16.8123 17.3976 17.3976 k = 0.0861-0.1176 0.0000 ( 1479 PWs) bands (ev): -10.0527 -10.0527 -8.7848 -8.7848 1.7721 1.7721 4.1693 4.1693 4.5590 4.5590 5.3761 5.3761 5.9190 5.9190 6.6761 6.6761 6.8445 6.8445 7.1977 7.1977 7.3617 7.3617 7.4169 7.4169 7.5129 7.5129 7.5995 7.5995 7.6850 7.6850 8.1915 8.1915 9.8310 9.8310 10.7433 10.7433 12.2154 12.2154 16.7176 16.7176 17.4493 17.4493 k = 0.0808-0.1103 0.0000 ( 1479 PWs) bands (ev): -10.0665 -10.0665 -8.7896 -8.7896 1.7498 1.7498 4.1749 4.1749 4.5677 4.5677 5.4537 5.4537 5.9725 5.9725 6.6944 6.6944 6.8374 6.8374 7.1813 7.1813 7.3442 7.3442 7.4016 7.4016 7.5021 7.5021 7.5954 7.5954 7.6776 7.6776 8.1874 8.1874 9.8562 9.8562 10.7510 10.7510 12.1379 12.1379 16.6264 16.6264 17.4991 17.4991 k = 0.0754-0.1029-0.0000 ( 1477 PWs) bands (ev): -10.0795 -10.0795 -8.7942 -8.7942 1.7288 1.7288 4.1802 4.1802 4.5759 4.5759 5.5314 5.5314 6.0255 6.0255 6.7118 6.7118 6.8309 6.8309 7.1629 7.1629 7.3255 7.3255 7.3853 7.3853 7.4919 7.4919 7.5915 7.5915 7.6713 7.6713 8.1834 8.1834 9.8807 9.8807 10.7584 10.7584 12.0640 12.0640 16.5393 16.5393 17.5467 17.5467 k = 0.0700-0.0956 0.0000 ( 1477 PWs) bands (ev): -10.0917 -10.0917 -8.7985 -8.7985 1.7091 1.7091 4.1852 4.1852 4.5838 4.5838 5.6090 5.6090 6.0777 6.0777 6.7278 6.7278 6.8251 6.8251 7.1420 7.1420 7.3057 7.3057 7.3684 7.3684 7.4825 7.4825 7.5877 7.5877 7.6663 7.6663 8.1796 8.1796 9.9044 9.9044 10.7656 10.7656 11.9940 11.9940 16.4564 16.4564 17.5919 17.5919 k = 0.0646-0.0882 0.0000 ( 1475 PWs) bands (ev): -10.1031 -10.1031 -8.8025 -8.8025 1.6907 1.6907 4.1899 4.1899 4.5911 4.5911 5.6864 5.6864 6.1292 6.1292 6.7421 6.7421 6.8203 6.8203 7.1187 7.1187 7.2852 7.2852 7.3513 7.3513 7.4740 7.4740 7.5837 7.5837 7.6624 7.6624 8.1760 8.1760 9.9272 9.9272 10.7726 10.7726 11.9282 11.9282 16.3781 16.3781 17.6346 17.6346 k = 0.0592-0.0809-0.0000 ( 1475 PWs) bands (ev): -10.1137 -10.1137 -8.8062 -8.8062 1.6737 1.6737 4.1943 4.1943 4.5980 4.5980 5.7633 5.7633 6.1799 6.1799 6.7537 6.7537 6.8166 6.8166 7.0926 7.0926 7.2642 7.2642 7.3343 7.3343 7.4663 7.4663 7.5794 7.5794 7.6596 7.6596 8.1725 8.1725 9.9489 9.9489 10.7791 10.7791 11.8668 11.8668 16.3046 16.3046 17.6745 17.6745 k = 0.0538-0.0735 0.0000 ( 1475 PWs) bands (ev): -10.1233 -10.1233 -8.8097 -8.8097 1.6581 1.6581 4.1984 4.1984 4.6043 4.6043 5.8395 5.8395 6.2298 6.2298 6.7619 6.7619 6.8144 6.8144 7.0639 7.0639 7.2432 7.2432 7.3177 7.3177 7.4594 7.4594 7.5750 7.5750 7.6578 7.6578 8.1693 8.1693 9.9693 9.9693 10.7854 10.7854 11.8100 11.8100 16.2364 16.2364 17.7116 17.7116 k = 0.0485-0.0662-0.0000 ( 1475 PWs) bands (ev): -10.1321 -10.1321 -8.8128 -8.8128 1.6439 1.6439 4.2022 4.2022 4.6102 4.6102 5.9149 5.9149 6.2789 6.2789 6.7661 6.7661 6.8138 6.8138 7.0326 7.0326 7.2229 7.2229 7.3016 7.3016 7.4533 7.4533 7.5705 7.5705 7.6566 7.6566 8.1663 8.1663 9.9883 9.9883 10.7911 10.7911 11.7580 11.7580 16.1736 16.1736 17.7457 17.7457 k = 0.0431-0.0588 0.0000 ( 1477 PWs) bands (ev): -10.1401 -10.1401 -8.8157 -8.8157 1.6311 1.6311 4.2055 4.2055 4.6154 4.6154 5.9890 5.9890 6.3271 6.3271 6.7664 6.7664 6.8136 6.8136 6.9990 6.9990 7.2040 7.2040 7.2860 7.2860 7.4479 7.4479 7.5661 7.5661 7.6560 7.6560 8.1636 8.1636 10.0057 10.0057 10.7964 10.7964 11.7109 11.7109 16.1166 16.1166 17.7766 17.7766 k = 0.0377-0.0515-0.0000 ( 1473 PWs) bands (ev): -10.1471 -10.1471 -8.8182 -8.8182 1.6197 1.6197 4.2085 4.2085 4.6201 4.6201 6.0618 6.0618 6.3743 6.3743 6.7635 6.7635 6.8121 6.8121 6.9637 6.9637 7.1874 7.1874 7.2712 7.2712 7.4431 7.4431 7.5619 7.5619 7.6558 7.6558 8.1611 8.1611 10.0215 10.0215 10.8012 10.8012 11.6691 11.6691 16.0656 16.0656 17.8042 17.8042 k = 0.0323-0.0441 0.0000 ( 1473 PWs) bands (ev): -10.1532 -10.1532 -8.8204 -8.8204 1.6099 1.6099 4.2111 4.2111 4.6242 4.6242 6.1326 6.1326 6.4205 6.4205 6.7576 6.7576 6.8074 6.8074 6.9275 6.9275 7.1739 7.1739 7.2568 7.2568 7.4390 7.4390 7.5579 7.5579 7.6559 7.6559 8.1590 8.1590 10.0354 10.0354 10.8054 10.8054 11.6326 11.6326 16.0209 16.0209 17.8284 17.8284 k = 0.0269-0.0368 0.0000 ( 1475 PWs) bands (ev): -10.1584 -10.1584 -8.8223 -8.8223 1.6015 1.6015 4.2133 4.2133 4.6277 4.6277 6.2011 6.2011 6.4655 6.4655 6.7483 6.7483 6.7981 6.7981 6.8923 6.8923 7.1643 7.1643 7.2429 7.2429 7.4355 7.4355 7.5544 7.5544 7.6560 7.6560 8.1572 8.1572 10.0473 10.0473 10.8091 10.8091 11.6014 11.6014 15.9826 15.9826 17.8490 17.8490 k = 0.0215-0.0294 0.0000 ( 1473 PWs) bands (ev): -10.1626 -10.1626 -8.8238 -8.8238 1.5947 1.5947 4.2152 4.2152 4.6306 4.6306 6.2664 6.2664 6.5091 6.5091 6.7339 6.7339 6.7830 6.7830 6.8614 6.8614 7.1587 7.1587 7.2298 7.2298 7.4326 7.4326 7.5515 7.5515 7.6563 7.6563 8.1557 8.1557 10.0572 10.0572 10.8121 10.8121 11.5759 11.5759 15.9511 15.9511 17.8660 17.8660 k = 0.0162-0.0221-0.0000 ( 1473 PWs) bands (ev): -10.1660 -10.1660 -8.8250 -8.8250 1.5893 1.5893 4.2166 4.2166 4.6328 4.6328 6.3273 6.3273 6.5512 6.5512 6.7130 6.7130 6.7611 6.7611 6.8385 6.8385 7.1569 7.1569 7.2176 7.2176 7.4303 7.4303 7.5492 7.5492 7.6566 7.6566 8.1545 8.1545 10.0650 10.0650 10.8144 10.8144 11.5559 11.5559 15.9263 15.9263 17.8793 17.8793 k = 0.0108-0.0147 0.0000 ( 1475 PWs) bands (ev): -10.1683 -10.1683 -8.8259 -8.8259 1.5855 1.5855 4.2176 4.2176 4.6344 4.6344 6.3809 6.3809 6.5913 6.5913 6.6866 6.6866 6.7340 6.7340 6.8245 6.8245 7.1580 7.1580 7.2069 7.2069 7.4287 7.4287 7.5474 7.5474 7.6568 7.6568 8.1537 8.1537 10.0706 10.0706 10.8162 10.8162 11.5416 11.5416 15.9085 15.9085 17.8888 17.8888 k = 0.0054-0.0074-0.0000 ( 1473 PWs) bands (ev): -10.1697 -10.1697 -8.8264 -8.8264 1.5832 1.5832 4.2182 4.2182 4.6354 4.6354 6.4214 6.4214 6.6285 6.6285 6.6616 6.6616 6.7039 6.7039 6.8175 6.8175 7.1606 7.1606 7.1989 7.1989 7.4278 7.4278 7.5464 7.5464 7.6570 7.6570 8.1532 8.1532 10.0740 10.0740 10.8172 10.8172 11.5330 11.5330 15.8978 15.8978 17.8946 17.8946 k = 0.0000 0.0000 0.0000 ( 1475 PWs) bands (ev): -10.1702 -10.1702 -8.8265 -8.8265 1.5824 1.5824 4.2185 4.2185 4.6357 4.6357 6.4375 6.4375 6.6462 6.6462 6.6589 6.6589 6.6799 6.6799 6.8154 6.8154 7.1620 7.1620 7.1957 7.1957 7.4273 7.4273 7.5460 7.5460 7.6570 7.6570 8.1530 8.1530 10.0752 10.0752 10.8175 10.8175 11.5301 11.5301 15.8943 15.8943 17.8965 17.8965 k = 0.0000 0.0000 0.0000 ( 1475 PWs) bands (ev): -10.1702 -10.1702 -8.8265 -8.8265 1.5824 1.5824 4.2185 4.2185 4.6357 4.6357 6.4375 6.4375 6.6462 6.6462 6.6589 6.6589 6.6799 6.6799 6.8154 6.8154 7.1620 7.1620 7.1957 7.1957 7.4273 7.4273 7.5460 7.5460 7.6570 7.6570 8.1530 8.1530 10.0752 10.0752 10.8175 10.8175 11.5301 11.5301 15.8943 15.8943 17.8965 17.8965 k = 0.0086-0.0027-0.0009 ( 1475 PWs) bands (ev): -10.1697 -10.1697 -8.8264 -8.8264 1.5833 1.5833 4.2183 4.2183 4.6354 4.6354 6.4254 6.4254 6.6323 6.6323 6.6534 6.6534 6.7030 6.7030 6.8175 6.8175 7.1601 7.1601 7.1991 7.1991 7.4288 7.4288 7.5464 7.5464 7.6572 7.6572 8.1530 8.1530 10.0744 10.0744 10.8166 10.8166 11.5331 11.5331 15.8978 15.8978 17.8947 17.8947 k = 0.0172-0.0055-0.0018 ( 1476 PWs) bands (ev): -10.1682 -10.1682 -8.8259 -8.8259 1.5858 1.5858 4.2180 4.2180 4.6347 4.6347 6.3920 6.3920 6.6044 6.6044 6.6585 6.6585 6.7337 6.7337 6.8236 6.8236 7.1561 7.1561 7.2079 7.2079 7.4331 7.4331 7.5477 7.5477 7.6577 7.6577 8.1532 8.1532 10.0722 10.0722 10.8139 10.8139 11.5421 11.5421 15.9083 15.9083 17.8891 17.8891 k = 0.0259-0.0082-0.0026 ( 1475 PWs) bands (ev): -10.1657 -10.1657 -8.8251 -8.8251 1.5899 1.5899 4.2174 4.2174 4.6335 4.6335 6.3430 6.3430 6.5765 6.5765 6.6654 6.6654 6.7613 6.7613 6.8337 6.8337 7.1527 7.1527 7.2197 7.2197 7.4400 7.4400 7.5498 7.5498 7.6587 7.6587 8.1534 8.1534 10.0685 10.0685 10.8095 10.8095 11.5571 11.5571 15.9257 15.9257 17.8799 17.8799 k = 0.0345-0.0109-0.0035 ( 1474 PWs) bands (ev): -10.1621 -10.1621 -8.8239 -8.8239 1.5958 1.5958 4.2165 4.2165 4.6318 4.6318 6.2833 6.2833 6.5488 6.5488 6.6721 6.6721 6.7832 6.7832 6.8470 6.8470 7.1511 7.1511 7.2338 7.2338 7.4493 7.4493 7.5528 7.5528 7.6600 7.6600 8.1536 8.1536 10.0634 10.0634 10.8035 10.8035 11.5779 11.5779 15.9499 15.9499 17.8669 17.8669 k = 0.0431-0.0137-0.0044 ( 1473 PWs) bands (ev): -10.1576 -10.1576 -8.8224 -8.8224 1.6032 1.6032 4.2154 4.2154 4.6297 4.6297 6.2161 6.2161 6.5209 6.5209 6.6780 6.6780 6.7988 6.7988 6.8622 6.8622 7.1518 7.1518 7.2497 7.2497 7.4605 7.4605 7.5568 7.5568 7.6619 7.6619 8.1540 8.1540 10.0568 10.0568 10.7960 10.7960 11.6045 11.6045 15.9808 15.9808 17.8503 17.8503 k = 0.0517-0.0164-0.0053 ( 1474 PWs) bands (ev): -10.1521 -10.1521 -8.8207 -8.8207 1.6123 1.6123 4.2140 4.2140 4.6271 4.6271 6.1431 6.1431 6.4926 6.4926 6.6830 6.6830 6.8087 6.8087 6.8775 6.8775 7.1549 7.1549 7.2673 7.2673 7.4732 7.4732 7.5619 7.5619 7.6645 7.6645 8.1544 8.1544 10.0487 10.0487 10.7871 10.7871 11.6368 11.6368 16.0181 16.0181 17.8300 17.8300 k = 0.0603-0.0191-0.0061 ( 1474 PWs) bands (ev): -10.1456 -10.1456 -8.8186 -8.8186 1.6230 1.6230 4.2123 4.2123 4.6242 4.6242 6.0657 6.0657 6.4639 6.4639 6.6871 6.6871 6.8135 6.8135 6.8920 6.8920 7.1602 7.1602 7.2861 7.2861 7.4869 7.4869 7.5684 7.5684 7.6679 7.6679 8.1548 8.1548 10.0392 10.0392 10.7770 10.7770 11.6746 11.6746 16.0617 16.0617 17.8061 17.8061 k = 0.0690-0.0219-0.0070 ( 1473 PWs) bands (ev): -10.1381 -10.1381 -8.8161 -8.8161 1.6353 1.6353 4.2104 4.2104 4.6209 4.6209 5.9847 5.9847 6.4347 6.4347 6.6903 6.6903 6.8139 6.8139 6.9057 6.9057 7.1671 7.1671 7.3059 7.3059 7.5007 7.5007 7.5765 7.5765 7.6724 7.6724 8.1552 8.1552 10.0285 10.0285 10.7658 10.7658 11.7176 11.7176 16.1112 16.1112 17.7785 17.7785 k = 0.0776-0.0246-0.0079 ( 1478 PWs) bands (ev): -10.1297 -10.1297 -8.8134 -8.8134 1.6491 1.6491 4.2081 4.2081 4.6172 4.6172 5.9006 5.9006 6.4051 6.4051 6.6923 6.6923 6.8108 6.8108 6.9187 6.9187 7.1750 7.1750 7.3260 7.3260 7.5141 7.5141 7.5865 7.5865 7.6782 7.6782 8.1556 8.1556 10.0164 10.0164 10.7538 10.7538 11.7658 11.7658 16.1665 16.1665 17.7473 17.7473 k = 0.0862-0.0273-0.0088 ( 1479 PWs) bands (ev): -10.1203 -10.1203 -8.8104 -8.8104 1.6644 1.6644 4.2055 4.2055 4.6132 4.6132 5.8140 5.8140 6.3752 6.3752 6.6930 6.6930 6.8052 6.8052 6.9313 6.9313 7.1836 7.1836 7.3458 7.3458 7.5262 7.5262 7.5986 7.5986 7.6856 7.6856 8.1560 8.1560 10.0033 10.0033 10.7411 10.7411 11.8188 11.8188 16.2271 16.2271 17.7126 17.7126 k = 0.0948-0.0300-0.0096 ( 1481 PWs) bands (ev): -10.1101 -10.1101 -8.8071 -8.8071 1.6812 1.6812 4.2025 4.2025 4.6089 4.6089 5.7253 5.7253 6.3451 6.3451 6.6915 6.6915 6.7984 6.7984 6.9434 6.9434 7.1924 7.1924 7.3650 7.3650 7.5367 7.5367 7.6129 7.6129 7.6949 7.6949 8.1564 8.1564 9.9893 9.9893 10.7279 10.7279 11.8764 11.8764 16.2929 16.2929 17.6742 17.6742 k = 0.1034-0.0328-0.0105 ( 1479 PWs) bands (ev): -10.0989 -10.0989 -8.8036 -8.8036 1.6995 1.6995 4.1992 4.1992 4.6044 4.6044 5.6349 5.6349 6.3148 6.3148 6.6871 6.6871 6.7921 6.7921 6.9551 6.9551 7.2015 7.2015 7.3832 7.3832 7.5453 7.5453 7.6292 7.6292 7.7064 7.7064 8.1568 8.1568 9.9745 9.9745 10.7143 10.7143 11.9384 11.9384 16.3634 16.3634 17.6324 17.6324 k = 0.1121-0.0355-0.0114 ( 1479 PWs) bands (ev): -10.0869 -10.0869 -8.7997 -8.7997 1.7191 1.7191 4.1955 4.1955 4.5996 4.5996 5.5430 5.5430 6.2845 6.2845 6.6787 6.6787 6.7875 6.7875 6.9664 6.9664 7.2104 7.2104 7.4001 7.4001 7.5521 7.5521 7.6469 7.6469 7.7199 7.7199 8.1571 8.1571 9.9592 9.9592 10.7004 10.7004 12.0044 12.0044 16.4385 16.4385 17.5871 17.5871 k = 0.1207-0.0382-0.0123 ( 1479 PWs) bands (ev): -10.0741 -10.0741 -8.7956 -8.7956 1.7401 1.7401 4.1914 4.1914 4.5946 4.5946 5.4500 5.4500 6.2541 6.2541 6.6659 6.6659 6.7855 6.7855 6.9773 6.9773 7.2194 7.2194 7.4156 7.4156 7.5575 7.5575 7.6656 7.6656 7.7356 7.7356 8.1574 8.1574 9.9435 9.9435 10.6862 10.6862 12.0741 12.0741 16.5177 16.5177 17.5383 17.5383 k = 0.1293-0.0410-0.0131 ( 1480 PWs) bands (ev): -10.0605 -10.0605 -8.7912 -8.7912 1.7624 1.7624 4.1869 4.1869 4.5892 4.5892 5.3564 5.3564 6.2238 6.2238 6.6490 6.6490 6.7861 6.7861 6.9878 6.9878 7.2282 7.2282 7.4297 7.4297 7.5617 7.5617 7.6849 7.6849 7.7530 7.7530 8.1576 8.1576 9.9277 9.9277 10.6720 10.6720 12.1474 12.1474 16.6008 16.6008 17.4863 17.4863 k = 0.1379-0.0437-0.0140 ( 1482 PWs) bands (ev): -10.0460 -10.0460 -8.7867 -8.7867 1.7860 1.7860 4.1820 4.1820 4.5833 4.5833 5.2625 5.2625 6.1936 6.1936 6.6284 6.6284 6.7889 6.7889 6.9980 6.9980 7.2370 7.2370 7.4425 7.4425 7.5648 7.5648 7.7048 7.7048 7.7717 7.7717 8.1578 8.1578 9.9120 9.9120 10.6576 10.6576 12.2237 12.2237 16.6875 16.6875 17.4309 17.4309 k = 0.1466-0.0464-0.0149 ( 1484 PWs) bands (ev): -10.0309 -10.0309 -8.7818 -8.7818 1.8107 1.8107 4.1768 4.1768 4.5768 4.5768 5.1687 5.1687 6.1636 6.1636 6.6049 6.6049 6.7935 6.7935 7.0077 7.0077 7.2458 7.2458 7.4542 7.4542 7.5673 7.5673 7.7250 7.7250 7.7914 7.7914 8.1580 8.1580 9.8967 9.8967 10.6433 10.6433 12.3030 12.3030 16.7775 16.7775 17.3724 17.3724 k = 0.1552-0.0492-0.0158 ( 1484 PWs) bands (ev): -10.0150 -10.0150 -8.7768 -8.7768 1.8366 1.8366 4.1711 4.1711 4.5692 4.5692 5.0757 5.0757 6.1338 6.1338 6.5790 6.5790 6.7993 6.7993 7.0172 7.0172 7.2545 7.2545 7.4647 7.4647 7.5692 7.5692 7.7455 7.7455 7.8116 7.8116 8.1582 8.1582 9.8820 9.8820 10.6290 10.6290 12.3849 12.3849 16.8703 16.8703 17.3110 17.3110 k = 0.1638-0.0519-0.0166 ( 1485 PWs) bands (ev): -9.9984 -9.9984 -8.7716 -8.7716 1.8634 1.8634 4.1651 4.1651 4.5599 4.5599 4.9845 4.9845 6.1042 6.1042 6.5508 6.5508 6.8062 6.8062 7.0264 7.0264 7.2633 7.2633 7.4742 7.4742 7.5708 7.5708 7.7662 7.7662 7.8320 7.8320 8.1585 8.1585 9.8681 9.8681 10.6147 10.6147 12.4691 12.4691 16.9656 16.9656 17.2469 17.2469 k = 0.1724-0.0546-0.0175 ( 1486 PWs) bands (ev): -9.9813 -9.9813 -8.7662 -8.7662 1.8913 1.8913 4.1588 4.1588 4.5475 4.5475 4.8967 4.8967 6.0749 6.0749 6.5208 6.5208 6.8139 6.8139 7.0353 7.0353 7.2721 7.2721 7.4829 7.4829 7.5724 7.5724 7.7870 7.7870 7.8523 7.8523 8.1588 8.1588 9.8551 9.8551 10.6004 10.6004 12.5554 12.5554 17.0611 17.0611 17.1822 17.1822 k = 0.1810-0.0574-0.0184 ( 1485 PWs) bands (ev): -9.9635 -9.9635 -8.7606 -8.7606 1.9201 1.9201 4.1522 4.1522 4.5292 4.5292 4.8152 4.8152 6.0460 6.0460 6.4891 6.4891 6.8223 6.8223 7.0440 7.0440 7.2811 7.2811 7.4906 7.4906 7.5740 7.5740 7.8077 7.8077 7.8723 7.8723 8.1593 8.1593 9.8433 9.8433 10.5863 10.5863 12.6436 12.6436 17.0978 17.0978 17.1759 17.1759 k = 0.1897-0.0601-0.0193 ( 1482 PWs) bands (ev): -9.9452 -9.9452 -8.7549 -8.7549 1.9497 1.9497 4.1453 4.1453 4.5003 4.5003 4.7449 4.7449 6.0175 6.0175 6.4559 6.4559 6.8312 6.8312 7.0524 7.0524 7.2902 7.2902 7.4975 7.4975 7.5760 7.5760 7.8282 7.8282 7.8917 7.8917 8.1601 8.1601 9.8327 9.8327 10.5722 10.5722 12.7334 12.7334 17.0309 17.0309 17.2727 17.2727 k = 0.1983-0.0628-0.0201 ( 1480 PWs) bands (ev): -9.9263 -9.9263 -8.7490 -8.7490 1.9800 1.9800 4.1382 4.1382 4.4551 4.4551 4.6918 4.6918 5.9894 5.9894 6.4212 6.4212 6.8407 6.8407 7.0606 7.0606 7.2994 7.2994 7.5035 7.5035 7.5784 7.5784 7.8485 7.8485 7.9106 7.9106 8.1611 8.1611 9.8234 9.8234 10.5582 10.5582 12.8245 12.8245 16.9564 16.9564 17.3765 17.3765 k = 0.2069-0.0656-0.0210 ( 1479 PWs) bands (ev): -9.9070 -9.9070 -8.7430 -8.7430 2.0110 2.0110 4.1309 4.1309 4.3923 4.3923 4.6573 4.6573 5.9617 5.9617 6.3851 6.3851 6.8507 6.8507 7.0686 7.0686 7.3088 7.3088 7.5086 7.5086 7.5815 7.5815 7.8683 7.8683 7.9286 7.9286 8.1624 8.1624 9.8156 9.8156 10.5442 10.5442 12.9168 12.9168 16.8790 16.8790 17.4825 17.4825 k = 0.2155-0.0683-0.0219 ( 1480 PWs) bands (ev): -9.8874 -9.8874 -8.7369 -8.7369 2.0425 2.0425 4.1234 4.1234 4.3170 4.3170 4.6366 4.6366 5.9345 5.9345 6.3479 6.3479 6.8610 6.8610 7.0763 7.0763 7.3183 7.3183 7.5129 7.5129 7.5853 7.5853 7.8875 7.8875 7.9460 7.9460 8.1643 8.1643 9.8091 9.8091 10.5302 10.5302 13.0100 13.0100 16.7994 16.7994 17.5902 17.5902 k = 0.2241-0.0710-0.0228 ( 1482 PWs) bands (ev): -9.8673 -9.8673 -8.7308 -8.7308 2.0745 2.0745 4.1155 4.1155 4.2352 4.2352 4.6239 4.6239 5.9078 5.9078 6.3095 6.3095 6.8716 6.8716 7.0837 7.0837 7.3279 7.3279 7.5162 7.5162 7.5898 7.5898 7.9060 7.9060 7.9625 7.9625 8.1667 8.1667 9.8041 9.8041 10.5163 10.5163 13.1040 13.1040 16.7178 16.7178 17.6992 17.6992 k = 0.2328-0.0737-0.0236 ( 1484 PWs) bands (ev): -9.8470 -9.8470 -8.7245 -8.7245 2.1068 2.1068 4.1060 4.1060 4.1518 4.1518 4.6158 4.6158 5.8816 5.8816 6.2702 6.2702 6.8826 6.8826 7.0910 7.0910 7.3376 7.3376 7.5188 7.5188 7.5952 7.5952 7.9238 7.9238 7.9782 7.9782 8.1699 8.1699 9.8005 9.8005 10.5025 10.5025 13.1986 13.1986 16.6347 16.6347 17.8094 17.8094 k = 0.2414-0.0765-0.0245 ( 1485 PWs) bands (ev): -9.8264 -9.8264 -8.7182 -8.7182 2.1394 2.1394 4.0589 4.0589 4.1050 4.1050 4.6104 4.6104 5.8560 5.8560 6.2300 6.2300 6.8939 6.8939 7.0981 7.0981 7.3473 7.3473 7.5207 7.5207 7.6013 7.6013 7.9405 7.9405 7.9932 7.9932 8.1739 8.1739 9.7983 9.7983 10.4887 10.4887 13.2935 13.2935 16.5502 16.5502 17.9204 17.9204 k = 0.2500-0.0792-0.0254 ( 1484 PWs) bands (ev): -9.8056 -9.8056 -8.7119 -8.7119 2.1722 2.1722 3.9743 3.9743 4.0957 4.0957 4.6067 4.6067 5.8310 5.8310 6.1891 6.1891 6.9055 6.9055 7.1049 7.1049 7.3570 7.3570 7.5221 7.5221 7.6081 7.6081 7.9563 7.9563 8.0076 8.0076 8.1788 8.1788 9.7973 9.7973 10.4749 10.4749 13.3887 13.3887 16.4647 16.4647 18.0322 18.0322 k = 0.2586-0.0819-0.0263 ( 1482 PWs) bands (ev): -9.7847 -9.7847 -8.7056 -8.7056 2.2050 2.2050 3.8888 3.8888 4.0882 4.0882 4.6043 4.6043 5.8065 5.8065 6.1477 6.1477 6.9173 6.9173 7.1115 7.1115 7.3666 7.3666 7.5233 7.5233 7.6154 7.6154 7.9709 7.9709 8.0213 8.0213 8.1848 8.1848 9.7976 9.7976 10.4612 10.4612 13.4839 13.4839 16.3784 16.3784 18.1444 18.1444 k = 0.2672-0.0847-0.0271 ( 1481 PWs) bands (ev): -9.7637 -9.7637 -8.6992 -8.6992 2.2378 2.2378 3.8042 3.8042 4.0812 4.0812 4.6027 4.6027 5.7827 5.7827 6.1058 6.1058 6.9294 6.9294 7.1179 7.1179 7.3760 7.3760 7.5242 7.5242 7.6231 7.6231 7.9844 7.9844 8.0344 8.0344 8.1917 8.1917 9.7990 9.7990 10.4475 10.4475 13.5790 13.5790 16.2918 16.2918 18.2569 18.2569 k = 0.2759-0.0874-0.0280 ( 1484 PWs) bands (ev): -9.7427 -9.7427 -8.6929 -8.6929 2.2704 2.2704 3.7209 3.7209 4.0744 4.0744 4.6018 4.6018 5.7595 5.7595 6.0637 6.0637 6.9417 6.9417 7.1239 7.1239 7.3851 7.3851 7.5249 7.5249 7.6311 7.6311 7.9967 7.9967 8.0470 8.0470 8.1996 8.1996 9.8013 9.8013 10.4338 10.4338 13.6737 13.6737 16.2053 16.2053 18.3695 18.3695 k = 0.2845-0.0901-0.0289 ( 1484 PWs) bands (ev): -9.7218 -9.7218 -8.6867 -8.6867 2.3027 2.3027 3.6392 3.6392 4.0681 4.0681 4.6014 4.6014 5.7370 5.7370 6.0214 6.0214 6.9543 6.9543 7.1298 7.1298 7.3939 7.3939 7.5255 7.5255 7.6394 7.6394 8.0082 8.0082 8.0592 8.0592 8.2084 8.2084 9.8045 9.8045 10.4201 10.4201 13.7678 13.7678 16.1191 16.1191 18.4816 18.4816 k = 0.2931-0.0929-0.0298 ( 1487 PWs) bands (ev): -9.7010 -9.7010 -8.6805 -8.6805 2.3346 2.3346 3.5593 3.5593 4.0622 4.0622 4.6014 4.6014 5.7152 5.7152 5.9792 5.9792 6.9670 6.9670 7.1354 7.1354 7.4022 7.4022 7.5261 7.5261 7.6476 7.6476 8.0188 8.0188 8.0710 8.0710 8.2181 8.2181 9.8085 9.8085 10.4064 10.4064 13.8612 13.8612 16.0338 16.0338 18.5924 18.5924 k = 0.3017-0.0956-0.0306 ( 1486 PWs) bands (ev): -9.6803 -9.6803 -8.6744 -8.6744 2.3660 2.3660 3.4816 3.4816 4.0567 4.0567 4.6017 4.6017 5.6940 5.6940 5.9372 5.9372 6.9799 6.9799 7.1408 7.1408 7.4101 7.4101 7.5267 7.5267 7.6560 7.6560 8.0289 8.0289 8.0824 8.0824 8.2284 8.2284 9.8131 9.8131 10.3928 10.3928 13.9535 13.9535 15.9499 15.9499 18.6990 18.6990 k = 0.3103-0.0983-0.0315 ( 1485 PWs) bands (ev): -9.6599 -9.6599 -8.6684 -8.6684 2.3969 2.3969 3.4061 3.4061 4.0516 4.0516 4.6023 4.6023 5.6735 5.6735 5.8955 5.8955 6.9930 6.9930 7.1460 7.1460 7.4174 7.4174 7.5273 7.5273 7.6642 7.6642 8.0388 8.0388 8.0935 8.0935 8.2393 8.2393 9.8183 9.8183 10.3792 10.3792 14.0445 14.0445 15.8680 15.8680 18.7800 18.7800 k = 0.3190-0.1011-0.0324 ( 1483 PWs) bands (ev): -9.6398 -9.6398 -8.6625 -8.6625 2.4269 2.4269 3.3329 3.3329 4.0471 4.0471 4.6031 4.6031 5.6538 5.6538 5.8545 5.8545 7.0062 7.0062 7.1509 7.1509 7.4240 7.4240 7.5279 7.5279 7.6722 7.6722 8.0485 8.0485 8.1042 8.1042 8.2506 8.2506 9.8239 9.8239 10.3656 10.3656 14.1337 14.1337 15.7887 15.7887 18.7330 18.7330 k = 0.3276-0.1038-0.0333 ( 1483 PWs) bands (ev): -9.6201 -9.6201 -8.6567 -8.6567 2.4562 2.4562 3.2624 3.2624 4.0430 4.0430 4.6041 4.6041 5.6347 5.6347 5.8141 5.8141 7.0195 7.0195 7.1556 7.1556 7.4300 7.4300 7.5284 7.5284 7.6800 7.6800 8.0584 8.0584 8.1145 8.1145 8.2621 8.2621 9.8298 9.8298 10.3520 10.3520 14.2205 14.2205 15.7129 15.7129 18.6197 18.6197 k = 0.3362-0.1065-0.0341 ( 1483 PWs) bands (ev): -9.6008 -9.6008 -8.6511 -8.6511 2.4845 2.4845 3.1945 3.1945 4.0394 4.0394 4.6053 4.6053 5.6163 5.6163 5.7747 5.7747 7.0329 7.0329 7.1601 7.1601 7.4354 7.4354 7.5287 7.5287 7.6874 7.6874 8.0685 8.0685 8.1246 8.1246 8.2738 8.2738 9.8359 9.8359 10.3384 10.3384 14.3042 14.3042 15.6415 15.6415 18.4996 18.4996 k = 0.3448-0.1093-0.0350 ( 1482 PWs) bands (ev): -9.5820 -9.5820 -8.6457 -8.6457 2.5117 2.5117 3.1295 3.1295 4.0363 4.0363 4.6065 4.6065 5.5986 5.5986 5.7363 5.7363 7.0464 7.0464 7.1645 7.1645 7.4401 7.4401 7.5288 7.5288 7.6944 7.6944 8.0788 8.0788 8.1346 8.1346 8.2854 8.2854 9.8421 9.8421 10.3248 10.3248 14.3839 14.3839 15.5759 15.5759 18.3794 18.3794 k = 0.3534-0.1120-0.0359 ( 1486 PWs) bands (ev): -9.5638 -9.5638 -8.6405 -8.6405 2.5377 2.5377 3.0674 3.0674 4.0337 4.0337 4.6078 4.6078 5.5815 5.5815 5.6992 5.6992 7.0599 7.0599 7.1686 7.1686 7.4442 7.4442 7.5285 7.5285 7.7009 7.7009 8.0893 8.0893 8.1445 8.1445 8.2969 8.2969 9.8484 9.8484 10.3112 10.3112 14.4580 14.4580 15.5177 15.5177 18.2603 18.2603 k = 0.3621-0.1147-0.0368 ( 1489 PWs) bands (ev): -9.5462 -9.5462 -8.6355 -8.6355 2.5623 2.5623 3.0085 3.0085 4.0315 4.0315 4.6092 4.6092 5.5649 5.5649 5.6637 5.6637 7.0733 7.0733 7.1725 7.1725 7.4478 7.4478 7.5277 7.5277 7.7071 7.7071 8.0999 8.0999 8.1545 8.1545 8.3081 8.3081 9.8546 9.8546 10.2978 10.2978 14.5247 14.5247 15.4692 15.4692 18.1428 18.1428 k = 0.3707-0.1175-0.0377 ( 1491 PWs) bands (ev): -9.5293 -9.5293 -8.6307 -8.6307 2.5855 2.5855 2.9530 2.9530 4.0299 4.0299 4.6106 4.6106 5.5486 5.5486 5.6301 5.6301 7.0867 7.0867 7.1763 7.1763 7.4508 7.4508 7.5265 7.5265 7.7128 7.7128 8.1103 8.1103 8.1647 8.1647 8.3192 8.3192 9.8608 9.8608 10.2843 10.2843 14.5815 14.5815 15.4331 15.4331 18.0271 18.0271 k = 0.3793-0.1202-0.0385 ( 1491 PWs) bands (ev): -9.5132 -9.5132 -8.6261 -8.6261 2.6068 2.6068 2.9012 2.9012 4.0287 4.0287 4.6120 4.6120 5.5324 5.5324 5.5988 5.5988 7.1000 7.1000 7.1801 7.1801 7.4535 7.4535 7.5247 7.5247 7.7182 7.7182 8.1204 8.1204 8.1753 8.1753 8.3298 8.3298 9.8669 9.8669 10.2710 10.2710 14.6255 14.6255 15.4124 15.4124 17.9133 17.9133 k = 0.3879-0.1229-0.0394 ( 1491 PWs) bands (ev): -9.4979 -9.4979 -8.6218 -8.6218 2.6259 2.6259 2.8535 2.8535 4.0279 4.0279 4.6134 4.6134 5.5157 5.5157 5.5706 5.5706 7.1130 7.1130 7.1839 7.1839 7.4557 7.4557 7.5222 7.5222 7.7231 7.7231 8.1299 8.1299 8.1864 8.1864 8.3401 8.3401 9.8729 9.8729 10.2578 10.2578 14.6546 14.6546 15.4097 15.4097 17.8014 17.8014 k = 0.3966-0.1256-0.0403 ( 1494 PWs) bands (ev): -9.4835 -9.4835 -8.6177 -8.6177 2.6418 2.6418 2.8109 2.8109 4.0274 4.0274 4.6148 4.6148 5.4977 5.4977 5.5464 5.5464 7.1254 7.1254 7.1877 7.1877 7.4575 7.4575 7.5191 7.5191 7.7277 7.7277 8.1386 8.1386 8.1979 8.1979 8.3499 8.3499 9.8786 9.8786 10.2449 10.2449 14.6680 14.6680 15.4257 15.4257 17.6916 17.6916 k = 0.4052-0.1284-0.0412 ( 1496 PWs) bands (ev): -9.4700 -9.4700 -8.6140 -8.6140 2.6526 2.6526 2.7754 2.7754 4.0273 4.0273 4.6162 4.6162 5.4780 5.4780 5.5267 5.5267 7.1372 7.1372 7.1918 7.1918 7.4591 7.4591 7.5153 7.5153 7.7319 7.7319 8.1463 8.1463 8.2099 8.2099 8.3592 8.3592 9.8841 9.8841 10.2322 10.2322 14.6675 14.6675 15.4590 15.4590 17.5840 17.5840 k = 0.4138-0.1311-0.0420 ( 1498 PWs) bands (ev): -9.4575 -9.4575 -8.6105 -8.6105 2.6541 2.6541 2.7513 2.7513 4.0274 4.0274 4.6175 4.6175 5.4571 5.4571 5.5110 5.5110 7.1480 7.1480 7.1964 7.1964 7.4605 7.4605 7.5110 7.5110 7.7358 7.7358 8.1532 8.1532 8.2219 8.2219 8.3679 8.3679 9.8894 9.8894 10.2200 10.2200 14.6563 14.6563 15.5065 15.5065 17.4786 17.4786 k = 0.4224-0.1338-0.0429 ( 1497 PWs) bands (ev): -9.4460 -9.4460 -8.6073 -8.6073 2.6423 2.6423 2.7424 2.7424 4.0278 4.0278 4.6187 4.6187 5.4363 5.4363 5.4985 5.4985 7.1575 7.1575 7.2017 7.2017 7.4616 7.4616 7.5063 7.5063 7.7394 7.7394 8.1592 8.1592 8.2339 8.2339 8.3762 8.3762 9.8944 9.8944 10.2082 10.2082 14.6381 14.6381 15.5644 15.5644 17.3756 17.3756 k = 0.4310-0.1366-0.0438 ( 1499 PWs) bands (ev): -9.4356 -9.4356 -8.6044 -8.6044 2.6215 2.6215 2.7446 2.7446 4.0282 4.0282 4.6198 4.6198 5.4165 5.4165 5.4881 5.4881 7.1654 7.1654 7.2078 7.2078 7.4626 7.4626 7.5011 7.5011 7.7426 7.7426 8.1643 8.1643 8.2455 8.2455 8.3838 8.3838 9.8991 9.8991 10.1970 10.1970 14.6161 14.6161 15.6294 15.6294 17.2754 17.2754 k = 0.4397-0.1393-0.0447 ( 1495 PWs) bands (ev): -9.4263 -9.4263 -8.6019 -8.6019 2.5984 2.5984 2.7512 2.7512 4.0289 4.0289 4.6209 4.6209 5.3983 5.3983 5.4794 5.4794 7.1716 7.1716 7.2150 7.2150 7.4633 7.4633 7.4959 7.4959 7.7456 7.7456 8.1688 8.1688 8.2564 8.2564 8.3908 8.3908 9.9035 9.9035 10.1866 10.1866 14.5930 14.5930 15.6988 15.6988 17.1783 17.1783 k = 0.4483-0.1420-0.0455 ( 1492 PWs) bands (ev): -9.4182 -9.4182 -8.5996 -8.5996 2.5765 2.5765 2.7589 2.7589 4.0295 4.0295 4.6218 4.6218 5.3821 5.3821 5.4720 5.4720 7.1762 7.1762 7.2225 7.2225 7.4639 7.4639 7.4906 7.4906 7.7482 7.7482 8.1726 8.1726 8.2663 8.2663 8.3971 8.3971 9.9075 9.9075 10.1771 10.1771 14.5705 14.5705 15.7704 15.7704 17.0849 17.0849 k = 0.4569-0.1448-0.0464 ( 1488 PWs) bands (ev): -9.4112 -9.4112 -8.5977 -8.5977 2.5570 2.5570 2.7661 2.7661 4.0302 4.0302 4.6226 4.6226 5.3681 5.3681 5.4660 5.4660 7.1796 7.1796 7.2301 7.2301 7.4643 7.4643 7.4857 7.4857 7.7504 7.7504 8.1757 8.1757 8.2750 8.2750 8.4026 8.4026 9.9111 9.9111 10.1686 10.1686 14.5498 14.5498 15.8418 15.8418 16.9963 16.9963 k = 0.4655-0.1475-0.0473 ( 1486 PWs) bands (ev): -9.4055 -9.4055 -8.5962 -8.5962 2.5406 2.5406 2.7725 2.7725 4.0308 4.0308 4.6233 4.6233 5.3565 5.3565 5.4611 5.4611 7.1821 7.1821 7.2370 7.2370 7.4644 7.4644 7.4812 7.4812 7.7522 7.7522 8.1783 8.1783 8.2823 8.2823 8.4072 8.4072 9.9142 9.9142 10.1614 10.1614 14.5320 14.5320 15.9108 15.9108 16.9140 16.9140 k = 0.4741-0.1502-0.0482 ( 1486 PWs) bands (ev): -9.4010 -9.4010 -8.5949 -8.5949 2.5277 2.5277 2.7775 2.7775 4.0313 4.0313 4.6239 4.6239 5.3473 5.3473 5.4573 5.4573 7.1838 7.1838 7.2430 7.2430 7.4643 7.4643 7.4775 7.4775 7.7537 7.7537 8.1802 8.1802 8.2882 8.2882 8.4109 8.4109 9.9166 9.9166 10.1555 10.1555 14.5175 14.5175 15.9742 15.9742 16.8408 16.8408 k = 0.4828-0.1530-0.0490 ( 1488 PWs) bands (ev): -9.3978 -9.3978 -8.5941 -8.5941 2.5184 2.5184 2.7812 2.7812 4.0317 4.0317 4.6242 4.6242 5.3407 5.3407 5.4546 5.4546 7.1849 7.1849 7.2476 7.2476 7.4638 7.4638 7.4750 7.4750 7.7547 7.7547 8.1816 8.1816 8.2924 8.2924 8.4136 8.4136 9.9185 9.9185 10.1512 10.1512 14.5070 14.5070 16.0273 16.0273 16.7809 16.7809 k = 0.4914-0.1557-0.0499 ( 1489 PWs) bands (ev): -9.3959 -9.3959 -8.5935 -8.5935 2.5128 2.5128 2.7835 2.7835 4.0320 4.0320 4.6245 4.6245 5.3367 5.3367 5.4530 5.4530 7.1856 7.1856 7.2504 7.2504 7.4634 7.4634 7.4735 7.4735 7.7553 7.7553 8.1824 8.1824 8.2949 8.2949 8.4152 8.4152 9.9196 9.9196 10.1486 10.1486 14.5005 14.5005 16.0638 16.0638 16.7404 16.7404 k = 0.5000-0.1584-0.0508 ( 1488 PWs) bands (ev): -9.3953 -9.3953 -8.5934 -8.5934 2.5109 2.5109 2.7842 2.7842 4.0320 4.0320 4.6245 4.6245 5.3354 5.3354 5.4525 5.4525 7.1858 7.1858 7.2514 7.2514 7.4632 7.4632 7.4731 7.4731 7.7555 7.7555 8.1827 8.1827 8.2958 8.2958 8.4158 8.4158 9.9199 9.9199 10.1477 10.1477 14.4983 14.4983 16.0770 16.0770 16.7259 16.7259 k = 0.5000-0.1584 0.2359 ( 1496 PWs) bands (ev): -9.1456 -9.1456 -8.8865 -8.8865 2.5309 2.5309 3.6010 3.6010 3.6309 3.6309 4.2678 4.2678 5.2749 5.2749 6.6098 6.6098 6.6765 6.6765 7.0926 7.0926 7.3839 7.3839 7.4344 7.4344 7.5772 7.5772 7.6785 7.6785 8.0933 8.0933 8.2159 8.2159 9.7715 9.7715 10.5955 10.5955 14.8775 14.8775 16.3721 16.3721 17.7751 17.7751 k = 0.4921-0.1559 0.2321 ( 1494 PWs) bands (ev): -9.1464 -9.1464 -8.8865 -8.8865 2.5325 2.5325 3.5890 3.5890 3.6437 3.6437 4.2682 4.2682 5.2727 5.2727 6.5950 6.5950 6.6907 6.6907 7.0939 7.0939 7.3840 7.3840 7.4346 7.4346 7.5775 7.5775 7.6787 7.6787 8.0933 8.0933 8.2160 8.2160 9.7707 9.7707 10.5948 10.5948 14.8772 14.8772 16.3705 16.3705 17.7766 17.7766 k = 0.4841-0.1534 0.2284 ( 1495 PWs) bands (ev): -9.1486 -9.1486 -8.8864 -8.8864 2.5371 2.5371 3.5694 3.5694 3.6658 3.6658 4.2694 4.2694 5.2662 5.2662 6.5658 6.5658 6.7180 6.7180 7.0977 7.0977 7.3841 7.3841 7.4349 7.4349 7.5783 7.5783 7.6793 7.6793 8.0935 8.0935 8.2165 8.2165 9.7682 9.7682 10.5929 10.5929 14.8761 14.8761 16.3656 16.3656 17.7813 17.7813 k = 0.4762-0.1509 0.2246 ( 1497 PWs) bands (ev): -9.1523 -9.1523 -8.8863 -8.8863 2.5448 2.5448 3.5495 3.5495 3.6900 3.6900 4.2713 4.2713 5.2557 5.2557 6.5327 6.5327 6.7479 6.7479 7.1038 7.1038 7.3844 7.3844 7.4355 7.4355 7.5797 7.5797 7.6802 7.6802 8.0938 8.0938 8.2173 8.2173 9.7641 9.7641 10.5897 10.5897 14.8743 14.8743 16.3574 16.3574 17.7896 17.7896 k = 0.4683-0.1484 0.2209 ( 1496 PWs) bands (ev): -9.1574 -9.1574 -8.8862 -8.8862 2.5554 2.5554 3.5302 3.5302 3.7152 3.7152 4.2740 4.2740 5.2413 5.2413 6.4982 6.4982 6.7778 6.7778 7.1122 7.1122 7.3848 7.3848 7.4364 7.4364 7.5817 7.5817 7.6816 7.6816 8.0941 8.0941 8.2185 8.2185 9.7585 9.7585 10.5852 10.5852 14.8717 14.8717 16.3460 16.3460 17.8023 17.8023 k = 0.4603-0.1459 0.2171 ( 1496 PWs) bands (ev): -9.1639 -9.1639 -8.8860 -8.8860 2.5691 2.5691 3.5117 3.5117 3.7411 3.7411 4.2775 4.2775 5.2234 5.2234 6.4631 6.4631 6.8071 6.8071 7.1225 7.1225 7.3853 7.3853 7.4375 7.4375 7.5841 7.5841 7.6833 7.6833 8.0942 8.0942 8.2202 8.2202 9.7514 9.7514 10.5795 10.5795 14.8683 14.8683 16.3311 16.3311 17.8199 17.8199 k = 0.4524-0.1433 0.2134 ( 1493 PWs) bands (ev): -9.1718 -9.1718 -8.8858 -8.8858 2.5855 2.5855 3.4941 3.4941 3.7676 3.7676 4.2817 4.2817 5.2026 5.2026 6.4277 6.4277 6.8354 6.8354 7.1345 7.1345 7.3860 7.3860 7.4390 7.4390 7.5870 7.5870 7.6856 7.6856 8.0941 8.0941 8.2225 8.2225 9.7430 9.7430 10.5727 10.5727 14.8640 14.8640 16.3131 16.3131 17.8433 17.8433 k = 0.4444-0.1408 0.2097 ( 1493 PWs) bands (ev): -9.1811 -9.1811 -8.8855 -8.8855 2.6046 2.6046 3.4775 3.4775 3.7944 3.7944 4.2866 4.2866 5.1793 5.1793 6.3922 6.3922 6.8623 6.8623 7.1478 7.1478 7.3869 7.3869 7.4407 7.4407 7.5902 7.5902 7.6882 7.6882 8.0936 8.0936 8.2254 8.2254 9.7335 9.7335 10.5648 10.5648 14.8585 14.8585 16.2919 16.2919 17.8728 17.8728 k = 0.4365-0.1383 0.2059 ( 1492 PWs) bands (ev): -9.1918 -9.1918 -8.8852 -8.8852 2.6263 2.6263 3.4619 3.4619 3.8215 3.8215 4.2923 4.2923 5.1541 5.1541 6.3568 6.3568 6.8878 6.8878 7.1619 7.1619 7.3880 7.3880 7.4429 7.4429 7.5937 7.5937 7.6914 7.6914 8.0925 8.0925 8.2290 8.2290 9.7231 9.7231 10.5559 10.5559 14.8519 14.8519 16.2678 16.2678 17.9088 17.9088 k = 0.4286-0.1358 0.2022 ( 1491 PWs) bands (ev): -9.2037 -9.2037 -8.8848 -8.8848 2.6503 2.6503 3.4475 3.4475 3.8485 3.8485 4.2986 4.2986 5.1276 5.1276 6.3216 6.3216 6.9117 6.9117 7.1765 7.1765 7.3894 7.3894 7.4456 7.4456 7.5975 7.5975 7.6950 7.6950 8.0909 8.0909 8.2332 8.2332 9.7120 9.7120 10.5461 10.5461 14.8438 14.8438 16.2412 16.2412 17.9515 17.9515 k = 0.4206-0.1333 0.1984 ( 1488 PWs) bands (ev): -9.2169 -9.2169 -8.8844 -8.8844 2.6764 2.6764 3.4343 3.4343 3.8752 3.8752 4.3055 4.3055 5.1006 5.1006 6.2868 6.2868 6.9340 6.9340 7.1910 7.1910 7.3910 7.3910 7.4490 7.4490 7.6015 7.6015 7.6991 7.6991 8.0885 8.0885 8.2381 8.2381 9.7004 9.7004 10.5355 10.5355 14.8341 14.8341 16.2127 16.2127 18.0009 18.0009 k = 0.4127-0.1308 0.1947 ( 1491 PWs) bands (ev): -9.2313 -9.2313 -8.8840 -8.8840 2.7041 2.7041 3.4224 3.4224 3.9015 3.9015 4.3130 4.3130 5.0738 5.0738 6.2524 6.2524 6.9545 6.9545 7.2050 7.2050 7.3927 7.3927 7.4531 7.4531 7.6056 7.6056 7.7036 7.7036 8.0854 8.0854 8.2435 8.2435 9.6885 9.6885 10.5241 10.5241 14.8223 14.8223 16.1827 16.1827 18.0566 18.0566 k = 0.4048-0.1282 0.1909 ( 1490 PWs) bands (ev): -9.2468 -9.2468 -8.8836 -8.8836 2.7331 2.7331 3.4121 3.4121 3.9269 3.9269 4.3211 4.3211 5.0479 5.0479 6.2187 6.2187 6.9733 6.9733 7.2181 7.2181 7.3948 7.3948 7.4582 7.4582 7.6100 7.6100 7.7087 7.7087 8.0815 8.0815 8.2493 8.2493 9.6766 9.6766 10.5120 10.5120 14.8082 14.8082 16.1519 16.1519 18.1185 18.1185 k = 0.3968-0.1257 0.1872 ( 1489 PWs) bands (ev): -9.2635 -9.2635 -8.8831 -8.8831 2.7627 2.7627 3.4038 3.4038 3.9512 3.9512 4.3297 4.3297 5.0238 5.0238 6.1856 6.1856 6.9903 6.9903 7.2299 7.2299 7.3968 7.3968 7.4645 7.4645 7.6145 7.6145 7.7141 7.7141 8.0768 8.0768 8.2554 8.2554 9.6651 9.6651 10.4994 10.4994 14.7913 14.7913 16.1210 16.1210 18.1861 18.1861 k = 0.3889-0.1232 0.1834 ( 1486 PWs) bands (ev): -9.2812 -9.2812 -8.8825 -8.8825 2.7922 2.7922 3.3980 3.3980 3.9740 3.9740 4.3387 4.3387 5.0021 5.0021 6.1534 6.1534 7.0055 7.0055 7.2402 7.2402 7.3987 7.3987 7.4720 7.4720 7.6192 7.6192 7.7199 7.7199 8.0714 8.0714 8.2615 8.2615 9.6542 9.6542 10.4865 10.4865 14.7713 14.7713 16.0907 16.0907 18.2590 18.2590 k = 0.3810-0.1207 0.1797 ( 1490 PWs) bands (ev): -9.2998 -9.2998 -8.8819 -8.8819 2.8206 2.8206 3.3953 3.3953 3.9949 3.9949 4.3482 4.3482 4.9838 4.9838 6.1220 6.1220 7.0189 7.0189 7.2488 7.2488 7.4004 7.4004 7.4805 7.4805 7.6242 7.6242 7.7260 7.7260 8.0652 8.0652 8.2674 8.2674 9.6441 9.6441 10.4731 10.4731 14.7476 14.7476 16.0617 16.0617 18.3367 18.3367 k = 0.3730-0.1182 0.1760 ( 1490 PWs) bands (ev): -9.3194 -9.3194 -8.8813 -8.8813 2.8467 2.8467 3.3967 3.3967 4.0137 4.0137 4.3580 4.3580 4.9695 4.9695 6.0917 6.0917 7.0304 7.0304 7.2559 7.2559 7.4017 7.4017 7.4900 7.4900 7.6296 7.6296 7.7324 7.7324 8.0584 8.0584 8.2729 8.2729 9.6350 9.6350 10.4596 10.4596 14.7199 14.7199 16.0348 16.0348 18.4187 18.4187 k = 0.3651-0.1157 0.1722 ( 1491 PWs) bands (ev): -9.3399 -9.3399 -8.8806 -8.8806 2.8692 2.8692 3.4033 3.4033 4.0300 4.0300 4.3682 4.3682 4.9598 4.9598 6.0624 6.0624 7.0403 7.0403 7.2615 7.2615 7.4027 7.4027 7.4999 7.4999 7.6354 7.6354 7.7391 7.7391 8.0509 8.0509 8.2777 8.2777 9.6274 9.6274 10.4460 10.4460 14.6877 14.6877 16.0105 16.0105 18.5044 18.5044 k = 0.3571-0.1132 0.1685 ( 1491 PWs) bands (ev): -9.3611 -9.3611 -8.8799 -8.8799 2.8865 2.8865 3.4162 3.4162 4.0437 4.0437 4.3787 4.3787 4.9553 4.9553 6.0344 6.0344 7.0483 7.0483 7.2660 7.2660 7.4033 7.4033 7.5099 7.5099 7.6418 7.6418 7.7459 7.7459 8.0429 8.0429 8.2817 8.2817 9.6213 9.6213 10.4324 10.4324 14.6508 14.6508 15.9893 15.9893 18.5933 18.5933 k = 0.3492-0.1106 0.1647 ( 1491 PWs) bands (ev): -9.3831 -9.3831 -8.8791 -8.8791 2.8976 2.8976 3.4362 3.4362 4.0546 4.0546 4.3896 4.3896 4.9564 4.9564 6.0077 6.0077 7.0546 7.0546 7.2695 7.2695 7.4035 7.4035 7.5194 7.5194 7.6487 7.6487 7.7529 7.7529 8.0344 8.0344 8.2847 8.2847 9.6169 9.6169 10.4190 10.4190 14.6088 14.6088 15.9717 15.9717 18.6846 18.6846 k = 0.3413-0.1081 0.1610 ( 1488 PWs) bands (ev): -9.4058 -9.4058 -8.8782 -8.8782 2.9016 2.9016 3.4641 3.4641 4.0630 4.0630 4.4007 4.4007 4.9631 4.9631 5.9824 5.9824 7.0592 7.0592 7.2723 7.2723 7.4034 7.4034 7.5282 7.5282 7.6562 7.6562 7.7599 7.7599 8.0255 8.0255 8.2865 8.2865 9.6145 9.6145 10.4059 10.4059 14.5616 14.5616 15.9579 15.9579 18.7776 18.7776 k = 0.3333-0.1056 0.1572 ( 1489 PWs) bands (ev): -9.4290 -9.4290 -8.8774 -8.8774 2.8982 2.8982 3.4995 3.4995 4.0691 4.0691 4.4121 4.4121 4.9754 4.9754 5.9587 5.9587 7.0621 7.0621 7.2744 7.2744 7.4030 7.4030 7.5360 7.5360 7.6640 7.6640 7.7668 7.7668 8.0161 8.0161 8.2871 8.2871 9.6141 9.6141 10.3933 10.3933 14.5093 14.5093 15.9480 15.9480 18.8714 18.8714 k = 0.3254-0.1031 0.1535 ( 1488 PWs) bands (ev): -9.4528 -9.4528 -8.8764 -8.8764 2.8880 2.8880 3.5422 3.5422 4.0733 4.0733 4.4237 4.4237 4.9931 4.9931 5.9366 5.9366 7.0633 7.0633 7.2761 7.2761 7.4023 7.4023 7.5427 7.5427 7.6719 7.6719 7.7737 7.7737 8.0065 8.0065 8.2864 8.2864 9.6157 9.6157 10.3812 10.3812 14.4520 14.4520 15.9421 15.9421 18.9649 18.9649 k = 0.3175-0.1006 0.1498 ( 1484 PWs) bands (ev): -9.4770 -9.4770 -8.8754 -8.8754 2.8714 2.8714 3.5911 3.5911 4.0760 4.0760 4.4355 4.4355 5.0158 5.0158 5.9162 5.9162 7.0629 7.0629 7.2775 7.2775 7.4014 7.4014 7.5483 7.5483 7.6798 7.6798 7.7803 7.7803 7.9967 7.9967 8.2844 8.2844 9.6195 9.6195 10.3699 10.3699 14.3897 14.3897 15.9400 15.9400 19.0564 19.0564 k = 0.3095-0.0981 0.1460 ( 1484 PWs) bands (ev): -9.5016 -9.5016 -8.8744 -8.8744 2.8493 2.8493 3.6456 3.6456 4.0777 4.0777 4.4473 4.4473 5.0430 5.0430 5.8977 5.8977 7.0610 7.0610 7.2785 7.2785 7.4004 7.4004 7.5529 7.5529 7.6872 7.6872 7.7866 7.7866 7.9868 7.9868 8.2811 8.2811 9.6253 9.6253 10.3594 10.3594 14.3227 14.3227 15.9415 15.9415 19.1436 19.1436 k = 0.3016-0.0956 0.1423 ( 1484 PWs) bands (ev): -9.5265 -9.5265 -8.8733 -8.8733 2.8223 2.8223 3.7046 3.7046 4.0789 4.0789 4.4593 4.4593 5.0743 5.0743 5.8812 5.8812 7.0578 7.0578 7.2791 7.2791 7.3990 7.3990 7.5567 7.5567 7.6939 7.6939 7.7923 7.7923 7.9769 7.9769 8.2766 8.2766 9.6331 9.6331 10.3499 10.3499 14.2515 14.2515 15.9463 15.9463 19.2229 19.2229 k = 0.2937-0.0930 0.1385 ( 1481 PWs) bands (ev): -9.5517 -9.5517 -8.8721 -8.8721 2.7912 2.7912 3.7676 3.7676 4.0801 4.0801 4.4712 4.4712 5.1093 5.1093 5.8668 5.8668 7.0532 7.0532 7.2794 7.2794 7.3976 7.3976 7.5597 7.5597 7.6997 7.6997 7.7974 7.7974 7.9673 7.9673 8.2709 8.2709 9.6428 9.6428 10.3416 10.3416 14.1763 14.1763 15.9541 15.9541 19.2890 19.2890 k = 0.2857-0.0905 0.1348 ( 1482 PWs) bands (ev): -9.5771 -9.5771 -8.8709 -8.8709 2.7565 2.7565 3.8338 3.8338 4.0816 4.0816 4.4831 4.4831 5.1473 5.1473 5.8545 5.8545 7.0474 7.0474 7.2792 7.2792 7.3960 7.3960 7.5620 7.5620 7.7043 7.7043 7.8015 7.8015 7.9579 7.9579 8.2641 8.2641 9.6543 9.6543 10.3345 10.3345 14.0975 14.0975 15.9645 15.9645 19.3348 19.3348 k = 0.2778-0.0880 0.1310 ( 1484 PWs) bands (ev): -9.6026 -9.6026 -8.8696 -8.8696 2.7188 2.7188 3.9025 3.9025 4.0835 4.0835 4.4950 4.4950 5.1881 5.1881 5.8445 5.8445 7.0406 7.0406 7.2784 7.2784 7.3943 7.3943 7.5637 7.5637 7.7076 7.7076 7.8045 7.8045 7.9491 7.9491 8.2564 8.2564 9.6673 9.6673 10.3288 10.3288 14.0154 14.0154 15.9772 15.9772 19.3535 19.3535 k = 0.2698-0.0855 0.1273 ( 1483 PWs) bands (ev): -9.6281 -9.6281 -8.8683 -8.8683 2.6786 2.6786 3.9732 3.9732 4.0863 4.0863 4.5071 4.5071 5.2313 5.2313 5.8368 5.8368 7.0329 7.0329 7.2772 7.2772 7.3924 7.3924 7.5650 7.5650 7.7094 7.7094 7.8062 7.8062 7.9409 7.9409 8.2478 8.2478 9.6817 9.6817 10.3247 10.3247 13.9305 13.9305 15.9917 15.9917 19.3424 19.3424 k = 0.2619-0.0830 0.1235 ( 1485 PWs) bands (ev): -9.6537 -9.6537 -8.8670 -8.8670 2.6363 2.6363 4.0448 4.0448 4.0906 4.0906 4.5195 4.5195 5.2765 5.2765 5.8316 5.8316 7.0243 7.0243 7.2752 7.2752 7.3905 7.3905 7.5660 7.5660 7.7097 7.7097 7.8064 7.8064 7.9333 7.9333 8.2386 8.2386 9.6975 9.6975 10.3223 10.3223 13.8430 13.8430 16.0077 16.0077 19.3050 19.3050 k = 0.2540-0.0805 0.1198 ( 1483 PWs) bands (ev): -9.6791 -9.6791 -8.8655 -8.8655 2.5923 2.5923 4.0909 4.0909 4.1220 4.1220 4.5326 4.5326 5.3234 5.3234 5.8290 5.8290 7.0151 7.0151 7.2726 7.2726 7.3885 7.3885 7.5665 7.5665 7.7084 7.7084 7.8052 7.8052 7.9263 7.9263 8.2289 8.2289 9.7143 9.7143 10.3217 10.3217 13.7533 13.7533 16.0247 16.0247 19.2478 19.2478 k = 0.2460-0.0780 0.1161 ( 1484 PWs) bands (ev): -9.7045 -9.7045 -8.8641 -8.8641 2.5470 2.5470 4.0975 4.0975 4.1934 4.1934 4.5470 4.5470 5.3718 5.3718 5.8289 5.8289 7.0052 7.0052 7.2693 7.2693 7.3863 7.3863 7.5668 7.5668 7.7055 7.7055 7.8024 7.8024 7.9199 7.9199 8.2188 8.2188 9.7320 9.7320 10.3229 10.3229 13.6617 13.6617 16.0424 16.0424 19.1776 19.1776 k = 0.2381-0.0754 0.1123 ( 1485 PWs) bands (ev): -9.7296 -9.7296 -8.8626 -8.8626 2.5007 2.5007 4.1035 4.1035 4.2645 4.2645 4.5641 4.5641 5.4213 5.4213 5.8315 5.8315 6.9948 6.9948 7.2651 7.2651 7.3840 7.3840 7.5667 7.5667 7.7010 7.7010 7.7983 7.7983 7.9137 7.9137 8.2087 8.2087 9.7504 9.7504 10.3260 10.3260 13.5686 13.5686 16.0604 16.0604 19.0992 19.0992 k = 0.2302-0.0729 0.1086 ( 1485 PWs) bands (ev): -9.7545 -9.7545 -8.8611 -8.8611 2.4537 2.4537 4.1100 4.1100 4.3317 4.3317 4.5860 4.5860 5.4719 5.4719 5.8367 5.8367 6.9840 6.9840 7.2603 7.2603 7.3815 7.3815 7.5662 7.5662 7.6951 7.6951 7.7928 7.7928 7.9074 7.9074 8.1985 8.1985 9.7693 9.7693 10.3312 10.3312 13.4742 13.4742 16.0784 16.0784 19.0162 19.0162 k = 0.2222-0.0704 0.1048 ( 1483 PWs) bands (ev): -9.7791 -9.7791 -8.8595 -8.8595 2.4063 2.4063 4.1171 4.1171 4.3909 4.3909 4.6164 4.6164 5.5231 5.5231 5.8448 5.8448 6.9728 6.9728 7.2546 7.2546 7.3788 7.3788 7.5655 7.5655 7.6880 7.6880 7.7862 7.7862 7.9009 7.9009 8.1887 8.1887 9.7886 9.7886 10.3384 10.3384 13.3788 13.3788 16.0959 16.0959 18.9310 18.9310 k = 0.2143-0.0679 0.1011 ( 1479 PWs) bands (ev): -9.8033 -9.8033 -8.8579 -8.8579 2.3587 2.3587 4.1245 4.1245 4.4380 4.4380 4.6595 4.6595 5.5750 5.5750 5.8556 5.8556 6.9614 6.9614 7.2482 7.2482 7.3758 7.3758 7.5645 7.5645 7.6798 7.6798 7.7784 7.7784 7.8936 7.8936 8.1794 8.1794 9.8081 9.8081 10.3476 10.3476 13.2828 13.2828 16.1125 16.1125 18.8454 18.8454 k = 0.2063-0.0654 0.0973 ( 1480 PWs) bands (ev): -9.8271 -9.8271 -8.8563 -8.8563 2.3113 2.3113 4.1322 4.1322 4.4716 4.4716 4.7163 4.7163 5.6270 5.6270 5.8694 5.8694 6.9497 6.9497 7.2409 7.2409 7.3725 7.3725 7.5631 7.5631 7.6705 7.6705 7.7695 7.7695 7.8854 7.8854 8.1707 8.1707 9.8276 9.8276 10.3588 10.3588 13.1863 13.1863 16.1279 16.1279 18.7606 18.7606 k = 0.1984-0.0629 0.0936 ( 1482 PWs) bands (ev): -9.8504 -9.8504 -8.8546 -8.8546 2.2642 2.2642 4.1401 4.1401 4.4946 4.4946 4.7839 4.7839 5.6791 5.6791 5.8862 5.8862 6.9379 6.9379 7.2328 7.2328 7.3688 7.3688 7.5612 7.5612 7.6604 7.6604 7.7595 7.7595 7.8761 7.8761 8.1629 8.1629 9.8470 9.8470 10.3720 10.3720 13.0897 13.0897 16.1418 16.1418 18.6777 18.6777 k = 0.1905-0.0604 0.0899 ( 1482 PWs) bands (ev): -9.8732 -9.8732 -8.8530 -8.8530 2.2176 2.2176 4.1481 4.1481 4.5106 4.5106 4.8584 4.8584 5.7306 5.7306 5.9062 5.9062 6.9260 6.9260 7.2240 7.2240 7.3646 7.3646 7.5590 7.5590 7.6498 7.6498 7.7484 7.7484 7.8656 7.8656 8.1560 8.1560 9.8662 9.8662 10.3871 10.3871 12.9933 12.9933 16.1537 16.1537 18.5975 18.5975 k = 0.1825-0.0578 0.0861 ( 1482 PWs) bands (ev): -9.8955 -9.8955 -8.8513 -8.8513 2.1717 2.1717 4.1559 4.1559 4.5226 4.5226 4.9370 4.9370 5.7812 5.7812 5.9300 5.9300 6.9142 6.9142 7.2145 7.2145 7.3599 7.3599 7.5562 7.5562 7.6386 7.6386 7.7361 7.7361 7.8541 7.8541 8.1503 8.1503 9.8850 9.8850 10.4039 10.4039 12.8973 12.8973 16.1633 16.1633 18.5206 18.5206 k = 0.1746-0.0553 0.0824 ( 1480 PWs) bands (ev): -9.9171 -9.9171 -8.8497 -8.8497 2.1267 2.1267 4.1636 4.1636 4.5322 4.5322 5.0178 5.0178 5.8299 5.8299 5.9580 5.9580 6.9024 6.9024 7.2042 7.2042 7.3546 7.3546 7.5529 7.5529 7.6271 7.6271 7.7225 7.7225 7.8416 7.8416 8.1457 8.1457 9.9034 9.9034 10.4225 10.4225 12.8021 12.8021 16.1704 16.1704 18.4476 18.4476 k = 0.1667-0.0528 0.0786 ( 1480 PWs) bands (ev): -9.9381 -9.9381 -8.8480 -8.8480 2.0828 2.0828 4.1709 4.1709 4.5402 4.5402 5.0999 5.0999 5.8759 5.8759 5.9910 5.9910 6.8907 6.8907 7.1932 7.1932 7.3486 7.3486 7.5488 7.5488 7.6155 7.6155 7.7075 7.7075 7.8285 7.8285 8.1422 8.1422 9.9211 9.9211 10.4425 10.4425 12.7079 12.7079 16.1746 16.1746 18.3790 18.3790 k = 0.1587-0.0503 0.0749 ( 1480 PWs) bands (ev): -9.9583 -9.9583 -8.8464 -8.8464 2.0400 2.0400 4.1778 4.1778 4.5473 4.5473 5.1824 5.1824 5.9187 5.9187 6.0293 6.0293 6.8791 6.8791 7.1815 7.1815 7.3418 7.3418 7.5437 7.5437 7.6039 7.6039 7.6911 7.6911 7.8152 7.8152 8.1397 8.1397 9.9382 9.9382 10.4638 10.4638 12.6150 12.6150 16.1758 16.1758 18.3151 18.3151 k = 0.1508-0.0478 0.0711 ( 1478 PWs) bands (ev): -9.9779 -9.9779 -8.8447 -8.8447 1.9986 1.9986 4.1843 4.1843 4.5539 4.5539 5.2649 5.2649 5.9582 5.9582 6.0727 6.0727 6.8678 6.8678 7.1689 7.1689 7.3341 7.3341 7.5376 7.5376 7.5925 7.5925 7.6734 7.6734 7.8020 7.8020 8.1381 8.1381 9.9545 9.9545 10.4863 10.4863 12.5238 12.5238 16.1738 16.1738 18.2562 18.2562 k = 0.1429-0.0453 0.0674 ( 1475 PWs) bands (ev): -9.9966 -9.9966 -8.8431 -8.8431 1.9587 1.9587 4.1902 4.1902 4.5601 4.5601 5.3471 5.3471 5.9956 5.9956 6.1200 6.1200 6.8567 6.8567 7.1555 7.1555 7.3256 7.3256 7.5300 7.5300 7.5812 7.5812 7.6548 7.6548 7.7893 7.7893 8.1373 8.1373 9.9700 9.9700 10.5097 10.5097 12.4346 12.4346 16.1685 16.1685 18.2026 18.2026 k = 0.1349-0.0427 0.0636 ( 1477 PWs) bands (ev): -10.0146 -10.0146 -8.8416 -8.8416 1.9203 1.9203 4.1954 4.1954 4.5662 4.5662 5.4286 5.4286 6.0318 6.0318 6.1697 6.1697 6.8459 6.8459 7.1412 7.1412 7.3160 7.3160 7.5208 7.5208 7.5697 7.5697 7.6358 7.6358 7.7772 7.7772 8.1370 8.1370 9.9845 9.9845 10.5338 10.5338 12.3476 12.3476 16.1601 16.1601 18.1542 18.1542 k = 0.1270-0.0402 0.0599 ( 1475 PWs) bands (ev): -10.0317 -10.0317 -8.8401 -8.8401 1.8836 1.8836 4.2000 4.2000 4.5721 4.5721 5.5091 5.5091 6.0676 6.0676 6.2209 6.2209 6.8355 6.8355 7.1259 7.1259 7.3054 7.3054 7.5098 7.5098 7.5573 7.5573 7.6181 7.6181 7.7658 7.7658 8.1374 8.1374 9.9980 9.9980 10.5584 10.5584 12.2633 12.2633 16.1486 16.1486 18.1111 18.1111 k = 0.1190-0.0377 0.0562 ( 1474 PWs) bands (ev): -10.0479 -10.0479 -8.8386 -8.8386 1.8486 1.8486 4.2040 4.2040 4.5780 4.5780 5.5883 5.5883 6.1037 6.1037 6.2727 6.2727 6.8254 6.8254 7.1096 7.1096 7.2939 7.2939 7.4965 7.4965 7.5433 7.5433 7.6030 7.6030 7.7550 7.7550 8.1381 8.1381 10.0104 10.0104 10.5832 10.5832 12.1819 12.1819 16.1342 16.1342 18.0731 18.0731 k = 0.1111-0.0352 0.0524 ( 1475 PWs) bands (ev): -10.0632 -10.0632 -8.8372 -8.8372 1.8156 1.8156 4.2074 4.2074 4.5838 4.5838 5.6661 5.6661 6.1403 6.1403 6.3243 6.3243 6.8157 6.8157 7.0920 7.0920 7.2815 7.2815 7.4802 7.4802 7.5280 7.5280 7.5914 7.5914 7.7448 7.7448 8.1391 8.1391 10.0217 10.0217 10.6079 10.6079 12.1039 12.1039 16.1173 16.1173 18.0401 18.0401 k = 0.1032-0.0327 0.0487 ( 1478 PWs) bands (ev): -10.0776 -10.0776 -8.8358 -8.8358 1.7844 1.7844 4.2102 4.2102 4.5896 4.5896 5.7422 5.7422 6.1774 6.1774 6.3754 6.3754 6.8064 6.8064 7.0731 7.0731 7.2683 7.2683 7.4601 7.4601 7.5132 7.5132 7.5827 7.5827 7.7351 7.7351 8.1403 8.1403 10.0318 10.0318 10.6323 10.6323 12.0296 12.0296 16.0984 16.0984 18.0118 18.0118 k = 0.0952-0.0302 0.0449 ( 1477 PWs) bands (ev): -10.0910 -10.0910 -8.8345 -8.8345 1.7553 1.7553 4.2125 4.2125 4.5953 4.5953 5.8165 5.8165 6.2153 6.2153 6.4253 6.4253 6.7977 6.7977 7.0527 7.0527 7.2545 7.2545 7.4363 7.4363 7.5001 7.5001 7.5762 7.5762 7.7259 7.7259 8.1417 8.1417 10.0407 10.0407 10.6562 10.6562 11.9593 11.9593 16.0778 16.0778 17.9878 17.9878 k = 0.0873-0.0277 0.0412 ( 1474 PWs) bands (ev): -10.1034 -10.1034 -8.8333 -8.8333 1.7283 1.7283 4.2143 4.2143 4.6009 4.6009 5.8886 5.8886 6.2538 6.2538 6.4734 6.4734 6.7893 6.7893 7.0310 7.0310 7.2402 7.2402 7.4099 7.4099 7.4889 7.4889 7.5712 7.5712 7.7170 7.7170 8.1432 8.1432 10.0485 10.0485 10.6792 10.6792 11.8934 11.8934 16.0561 16.0561 17.9677 17.9677 k = 0.0794-0.0251 0.0374 ( 1473 PWs) bands (ev): -10.1149 -10.1149 -8.8322 -8.8322 1.7034 1.7034 4.2157 4.2157 4.6062 4.6062 5.9586 5.9586 6.2929 6.2929 6.5190 6.5190 6.7815 6.7815 7.0077 7.0077 7.2257 7.2257 7.3823 7.3823 7.4791 7.4791 7.5670 7.5670 7.7085 7.7085 8.1447 8.1447 10.0551 10.0551 10.7012 10.7012 11.8323 11.8323 16.0340 16.0340 17.9511 17.9511 k = 0.0714-0.0226 0.0337 ( 1471 PWs) bands (ev): -10.1253 -10.1253 -8.8312 -8.8312 1.6808 1.6808 4.2167 4.2167 4.6113 4.6113 6.0261 6.0261 6.3324 6.3324 6.5613 6.5613 6.7741 6.7741 6.9831 6.9831 7.2112 7.2112 7.3546 7.3546 7.4705 7.4705 7.5634 7.5634 7.7003 7.7003 8.1461 8.1461 10.0605 10.0605 10.7218 10.7218 11.7761 11.7761 16.0119 16.0119 17.9376 17.9376 k = 0.0635-0.0201 0.0300 ( 1470 PWs) bands (ev): -10.1346 -10.1346 -8.8302 -8.8302 1.6604 1.6604 4.2174 4.2174 4.6160 4.6160 6.0910 6.0910 6.3723 6.3723 6.5992 6.5992 6.7669 6.7669 6.9575 6.9575 7.1969 7.1969 7.3279 7.3279 7.4627 7.4627 7.5603 7.5603 7.6925 7.6925 8.1475 8.1475 10.0649 10.0649 10.7409 10.7409 11.7253 11.7253 15.9904 15.9904 17.9267 17.9267 k = 0.0556-0.0176 0.0262 ( 1472 PWs) bands (ev): -10.1429 -10.1429 -8.8294 -8.8294 1.6423 1.6423 4.2179 4.2179 4.6203 4.6203 6.1530 6.1530 6.4123 6.4123 6.6312 6.6312 6.7600 6.7600 6.9314 6.9314 7.1834 7.1834 7.3027 7.3027 7.4556 7.4556 7.5573 7.5573 7.6851 7.6851 8.1487 8.1487 10.0682 10.0682 10.7582 10.7582 11.6800 11.6800 15.9701 15.9701 17.9181 17.9181 k = 0.0476-0.0151 0.0225 ( 1474 PWs) bands (ev): -10.1501 -10.1501 -8.8286 -8.8286 1.6265 1.6265 4.2182 4.2182 4.6242 4.6242 6.2118 6.2118 6.4523 6.4523 6.6560 6.6560 6.7531 6.7531 6.9056 6.9056 7.1713 7.1713 7.2797 7.2797 7.4491 7.4491 7.5547 7.5547 7.6782 7.6782 8.1498 8.1498 10.0707 10.0707 10.7735 10.7735 11.6405 11.6405 15.9514 15.9514 17.9114 17.9114 k = 0.0397-0.0126 0.0187 ( 1473 PWs) bands (ev): -10.1562 -10.1562 -8.8280 -8.8280 1.6131 1.6131 4.2184 4.2184 4.6276 4.6276 6.2671 6.2671 6.4919 6.4919 6.6719 6.6719 6.7457 6.7457 6.8811 6.8811 7.1617 7.1617 7.2591 7.2591 7.4432 7.4432 7.5523 7.5523 7.6721 7.6721 8.1507 8.1507 10.0725 10.0725 10.7867 10.7867 11.6069 11.6069 15.9348 15.9348 17.9062 17.9062 k = 0.0317-0.0101 0.0150 ( 1474 PWs) bands (ev): -10.1613 -10.1613 -8.8275 -8.8275 1.6021 1.6021 4.2184 4.2184 4.6305 4.6305 6.3180 6.3180 6.5307 6.5307 6.6779 6.6779 6.7373 6.7373 6.8591 6.8591 7.1556 7.1556 7.2408 7.2408 7.4380 7.4380 7.5502 7.5502 7.6669 7.6669 8.1515 8.1515 10.0737 10.0737 10.7977 10.7977 11.5793 11.5793 15.9206 15.9206 17.9024 17.9024 k = 0.0238-0.0075 0.0112 ( 1473 PWs) bands (ev): -10.1652 -10.1652 -8.8271 -8.8271 1.5935 1.5935 4.2185 4.2185 4.6328 4.6328 6.3636 6.3636 6.5682 6.5682 6.6746 6.6746 6.7268 6.7268 6.8407 6.8407 7.1536 7.1536 7.2247 7.2247 7.4336 7.4336 7.5484 7.5484 7.6627 7.6627 8.1522 8.1522 10.0745 10.0745 10.8063 10.8063 11.5578 11.5578 15.9093 15.9093 17.8997 17.8997 k = 0.0159-0.0050 0.0075 ( 1475 PWs) bands (ev): -10.1680 -10.1680 -8.8268 -8.8268 1.5874 1.5874 4.2185 4.2185 4.6343 4.6343 6.4014 6.4014 6.6035 6.6035 6.6651 6.6651 6.7129 6.7129 6.8269 6.8269 7.1555 7.1555 7.2108 7.2108 7.4302 7.4302 7.5471 7.5471 7.6596 7.6596 8.1526 8.1526 10.0749 10.0749 10.8125 10.8125 11.5424 11.5424 15.9010 15.9010 17.8979 17.8979 k = 0.0079-0.0025 0.0037 ( 1475 PWs) bands (ev): -10.1697 -10.1697 -8.8266 -8.8266 1.5837 1.5837 4.2185 4.2185 4.6353 4.6353 6.4278 6.4278 6.6344 6.6344 6.6555 6.6555 6.6950 6.6950 6.8183 6.8183 7.1596 7.1596 7.2002 7.2002 7.4281 7.4281 7.5463 7.5463 7.6577 7.6577 8.1529 8.1529 10.0751 10.0751 10.8163 10.8163 11.5332 11.5332 15.8959 15.8959 17.8968 17.8968 k = 0.0000 0.0000 0.0000 ( 1475 PWs) bands (ev): -10.1702 -10.1702 -8.8265 -8.8265 1.5824 1.5824 4.2185 4.2185 4.6357 4.6357 6.4375 6.4375 6.6462 6.6462 6.6589 6.6589 6.6799 6.6799 6.8154 6.8154 7.1620 7.1620 7.1957 7.1957 7.4273 7.4273 7.5460 7.5460 7.6570 7.6570 8.1530 8.1530 10.0752 10.0752 10.8175 10.8175 11.5301 11.5301 15.8943 15.8943 17.8965 17.8965 Writing output data file CuO.save init_run : 0.13s CPU 0.27s WALL ( 1 calls) electrons : 91.63s CPU 94.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 91.62s CPU 94.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 482 calls) cegterg : 83.63s CPU 85.08s WALL ( 659 calls) Called by sum_band: Called by *egterg: h_psi : 35.06s CPU 36.20s WALL ( 10000 calls) s_psi : 3.64s CPU 3.78s WALL ( 10000 calls) g_psi : 0.10s CPU 0.09s WALL ( 8859 calls) cdiaghg : 44.03s CPU 44.43s WALL ( 9341 calls) cegterg:over : 2.54s CPU 2.58s WALL ( 8859 calls) cegterg:upda : 1.66s CPU 1.69s WALL ( 8859 calls) cegterg:last : 1.14s CPU 1.07s WALL ( 1513 calls) cdiaghg:chol : 2.27s CPU 2.25s WALL ( 9341 calls) cdiaghg:inve : 1.25s CPU 1.25s WALL ( 9341 calls) cdiaghg:para : 2.65s CPU 2.65s WALL ( 18682 calls) Called by h_psi: h_psi:vloc : 29.84s CPU 30.88s WALL ( 10000 calls) h_psi:vnl : 5.16s CPU 5.26s WALL ( 10000 calls) add_vuspsi : 2.84s CPU 2.80s WALL ( 10000 calls) General routines calbec : 2.30s CPU 2.44s WALL ( 10000 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.14s CPU 29.06s WALL ( 763280 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.24s WALL ( 964 calls) Parallel routines fft_scatter : 14.46s CPU 14.88s WALL ( 763303 calls) PWSCF : 1m43.91s CPU 2m 7.90s WALL This run was terminated on: 17:59:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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