Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48:28 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: ./CdHgO2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 51 15 4 3072 482 78 Max 52 16 5 3075 504 87 Sum 1871 551 163 110667 17655 2967 bravais-lattice index = 14 lattice parameter (alat) = 6.4857 a.u. unit-cell volume = 405.9648 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.485698 celldm(2)= 1.000000 celldm(3)= 1.712079 celldm(4)= 0.019006 celldm(5)= 0.019006 celldm(6)= 0.494180 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.494180 0.869360 0.000000 ) a(3) = ( 0.032540 0.018933 1.711666 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.568442 -0.012723 ) b(2) = ( 0.000000 1.150272 -0.012723 ) b(3) = ( 0.000000 0.000000 0.584226 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) Cd 12.00 112.41100 Cd( 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= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0094340 0.0054890 -0.0002401), wk = 0.0022727 k( 3) = ( 0.0188679 0.0109779 -0.0004801), wk = 0.0022727 k( 4) = ( 0.0283019 0.0164669 -0.0007202), wk = 0.0022727 k( 5) = ( 0.0377359 0.0219559 -0.0009603), wk = 0.0022727 k( 6) = ( 0.0471698 0.0274448 -0.0012003), wk = 0.0022727 k( 7) = ( 0.0566038 0.0329338 -0.0014404), wk = 0.0022727 k( 8) = ( 0.0660377 0.0384228 -0.0016804), wk = 0.0022727 k( 9) = ( 0.0754717 0.0439117 -0.0019205), wk = 0.0022727 k( 10) = ( 0.0849057 0.0494007 -0.0021606), wk = 0.0022727 k( 11) = ( 0.0943396 0.0548897 -0.0024006), wk = 0.0022727 k( 12) = ( 0.1037736 0.0603786 -0.0026407), wk = 0.0022727 k( 13) = ( 0.1132076 0.0658676 -0.0028808), wk = 0.0022727 k( 14) = ( 0.1226415 0.0713566 -0.0031208), wk = 0.0022727 k( 15) = ( 0.1320755 0.0768455 -0.0033609), wk = 0.0022727 k( 16) = ( 0.1415094 0.0823345 -0.0036009), wk = 0.0022727 k( 17) = ( 0.1509434 0.0878235 -0.0038410), wk = 0.0022727 k( 18) = ( 0.1603774 0.0933124 -0.0040811), wk = 0.0022727 k( 19) = ( 0.1698113 0.0988014 -0.0043211), wk = 0.0022727 k( 20) = ( 0.1792453 0.1042904 -0.0045612), wk = 0.0022727 k( 21) = ( 0.1886792 0.1097793 -0.0048013), wk = 0.0022727 k( 22) = ( 0.1981132 0.1152683 -0.0050413), wk = 0.0022727 k( 23) = ( 0.2075472 0.1207573 -0.0052814), wk = 0.0022727 k( 24) = ( 0.2169811 0.1262462 -0.0055215), wk = 0.0022727 k( 25) = ( 0.2264151 0.1317352 -0.0057615), wk = 0.0022727 k( 26) = ( 0.2358491 0.1372242 -0.0060016), wk = 0.0022727 k( 27) = ( 0.2452830 0.1427131 -0.0062416), wk = 0.0022727 k( 28) = ( 0.2547170 0.1482021 -0.0064817), wk = 0.0022727 k( 29) = ( 0.2641509 0.1536911 -0.0067218), wk = 0.0022727 k( 30) = ( 0.2735849 0.1591800 -0.0069618), wk = 0.0022727 k( 31) = ( 0.2830189 0.1646690 -0.0072019), wk = 0.0022727 k( 32) = ( 0.2924528 0.1701580 -0.0074420), wk = 0.0022727 k( 33) = ( 0.3018868 0.1756469 -0.0076820), wk = 0.0022727 k( 34) = ( 0.3113207 0.1811359 -0.0079221), wk = 0.0022727 k( 35) = ( 0.3207547 0.1866249 -0.0081621), wk = 0.0022727 k( 36) = ( 0.3301887 0.1921138 -0.0084022), wk = 0.0022727 k( 37) = ( 0.3396226 0.1976028 -0.0086423), wk = 0.0022727 k( 38) = ( 0.3490566 0.2030918 -0.0088823), wk = 0.0022727 k( 39) = ( 0.3584906 0.2085807 -0.0091224), wk = 0.0022727 k( 40) = ( 0.3679245 0.2140697 -0.0093625), wk = 0.0022727 k( 41) = ( 0.3773585 0.2195587 -0.0096025), wk = 0.0022727 k( 42) = ( 0.3867925 0.2250476 -0.0098426), wk = 0.0022727 k( 43) = ( 0.3962264 0.2305366 -0.0100827), wk = 0.0022727 k( 44) = ( 0.4056604 0.2360256 -0.0103227), wk = 0.0022727 k( 45) = ( 0.4150943 0.2415145 -0.0105628), wk = 0.0022727 k( 46) = ( 0.4245283 0.2470035 -0.0108028), wk = 0.0022727 k( 47) = ( 0.4339623 0.2524925 -0.0110429), wk = 0.0022727 k( 48) = ( 0.4433962 0.2579814 -0.0112830), wk = 0.0022727 k( 49) = ( 0.4528302 0.2634704 -0.0115230), wk = 0.0022727 k( 50) = ( 0.4622641 0.2689594 -0.0117631), wk = 0.0022727 k( 51) = ( 0.4716981 0.2744483 -0.0120032), wk = 0.0022727 k( 52) = ( 0.4811321 0.2799373 -0.0122432), wk = 0.0022727 k( 53) = ( 0.4905660 0.2854263 -0.0124833), wk = 0.0022727 k( 54) = ( 0.5000000 0.2909152 -0.0127233), wk = 0.0022727 k( 55) = ( 0.5000000 0.2909152 -0.0127233), wk = 0.0022727 k( 56) = ( 0.5002043 0.2910341 -0.0019776), wk = 0.0022727 k( 57) = ( 0.5004086 0.2911529 0.0087682), wk = 0.0022727 k( 58) = ( 0.5006129 0.2912718 0.0195139), wk = 0.0022727 k( 59) = ( 0.5008172 0.2913907 0.0302597), wk = 0.0022727 k( 60) = ( 0.5010214 0.2915095 0.0410055), wk = 0.0022727 k( 61) = ( 0.5012257 0.2916284 0.0517512), wk = 0.0022727 k( 62) = ( 0.5014300 0.2917472 0.0624970), wk = 0.0022727 k( 63) = ( 0.5016343 0.2918661 0.0732427), wk = 0.0022727 k( 64) = ( 0.5018386 0.2919850 0.0839885), wk = 0.0022727 k( 65) = ( 0.5020429 0.2921038 0.0947343), wk = 0.0022727 k( 66) = ( 0.5022472 0.2922227 0.1054800), wk = 0.0022727 k( 67) = ( 0.5024515 0.2923415 0.1162258), wk = 0.0022727 k( 68) = ( 0.5026557 0.2924604 0.1269715), wk = 0.0022727 k( 69) = ( 0.5028600 0.2925793 0.1377173), wk = 0.0022727 k( 70) = ( 0.5030643 0.2926981 0.1484631), wk = 0.0022727 k( 71) = ( 0.5032686 0.2928170 0.1592088), wk = 0.0022727 k( 72) = ( 0.5034729 0.2929359 0.1699546), wk = 0.0022727 k( 73) = ( 0.5036772 0.2930547 0.1807004), wk = 0.0022727 k( 74) = ( 0.5038815 0.2931736 0.1914461), wk = 0.0022727 k( 75) = ( 0.5040857 0.2932924 0.2021919), wk = 0.0022727 k( 76) = ( 0.5042900 0.2934113 0.2129376), wk = 0.0022727 k( 77) = ( 0.5044943 0.2935302 0.2236834), wk = 0.0022727 k( 78) = ( 0.5046986 0.2936490 0.2344292), wk = 0.0022727 k( 79) = ( 0.5049029 0.2937679 0.2451749), wk = 0.0022727 k( 80) = ( 0.5051072 0.2938867 0.2559207), wk = 0.0022727 k( 81) = ( 0.5053115 0.2940056 0.2666665), wk = 0.0022727 k( 82) = ( 0.5053115 0.2940056 0.2666665), wk = 0.0022727 k( 83) = ( 0.5026557 0.2924604 0.2730281), wk = 0.0022727 k( 84) = ( 0.5000000 0.2909152 0.2793898), wk = 0.0022727 k( 85) = ( 0.5000000 0.2909152 0.2793898), wk = 0.0022727 k( 86) = ( 0.5053938 0.2816448 0.2793898), wk = 0.0022727 k( 87) = ( 0.5107876 0.2723745 0.2793898), wk = 0.0022727 k( 88) = ( 0.5161814 0.2631041 0.2793898), wk = 0.0022727 k( 89) = ( 0.5215751 0.2538337 0.2793898), wk = 0.0022727 k( 90) = ( 0.5269689 0.2445633 0.2793898), wk = 0.0022727 k( 91) = ( 0.5323627 0.2352930 0.2793898), wk = 0.0022727 k( 92) = ( 0.5377565 0.2260226 0.2793898), wk = 0.0022727 k( 93) = ( 0.5431503 0.2167522 0.2793898), wk = 0.0022727 k( 94) = ( 0.5485441 0.2074819 0.2793898), wk = 0.0022727 k( 95) = ( 0.5539379 0.1982115 0.2793898), wk = 0.0022727 k( 96) = ( 0.5593316 0.1889411 0.2793898), wk = 0.0022727 k( 97) = ( 0.5647254 0.1796707 0.2793898), wk = 0.0022727 k( 98) = ( 0.5701192 0.1704004 0.2793898), wk = 0.0022727 k( 99) = ( 0.5755130 0.1611300 0.2793898), wk = 0.0022727 k( 100) = ( 0.5809068 0.1518596 0.2793898), wk = 0.0022727 k( 101) = ( 0.5863006 0.1425892 0.2793898), wk = 0.0022727 k( 102) = ( 0.5916944 0.1333189 0.2793898), wk = 0.0022727 k( 103) = ( 0.5970881 0.1240485 0.2793898), wk = 0.0022727 k( 104) = ( 0.6024819 0.1147781 0.2793898), wk = 0.0022727 k( 105) = ( 0.6078757 0.1055077 0.2793898), wk = 0.0022727 k( 106) = ( 0.6132695 0.0962374 0.2793898), wk = 0.0022727 k( 107) = ( 0.6186633 0.0869670 0.2793898), wk = 0.0022727 k( 108) = ( 0.6240571 0.0776966 0.2793898), wk = 0.0022727 k( 109) = ( 0.6294509 0.0684263 0.2793898), wk = 0.0022727 k( 110) = ( 0.6348446 0.0591559 0.2793898), wk = 0.0022727 k( 111) = ( 0.6402384 0.0498855 0.2793898), wk = 0.0022727 k( 112) = ( 0.6456322 0.0406151 0.2793898), wk = 0.0022727 k( 113) = ( 0.6510260 0.0313448 0.2793898), wk = 0.0022727 k( 114) = ( 0.6564198 0.0220744 0.2793898), wk = 0.0022727 k( 115) = ( 0.6618136 0.0128040 0.2793898), wk = 0.0022727 k( 116) = ( 0.6672073 0.0035336 0.2793898), wk = 0.0022727 k( 117) = ( 0.3327927 -0.5719753 0.2921131), wk = 0.0022727 k( 118) = ( 0.3273370 -0.5625987 0.2921131), wk = 0.0022727 k( 119) = ( 0.3218814 -0.5532220 0.2921131), wk = 0.0022727 k( 120) = ( 0.3164258 -0.5438454 0.2921131), wk = 0.0022727 k( 121) = ( 0.3109702 -0.5344687 0.2921131), wk = 0.0022727 k( 122) = ( 0.3055146 -0.5250921 0.2921131), wk = 0.0022727 k( 123) = ( 0.3000589 -0.5157154 0.2921131), wk = 0.0022727 k( 124) = ( 0.2946033 -0.5063388 0.2921131), wk = 0.0022727 k( 125) = ( 0.2891477 -0.4969622 0.2921131), wk = 0.0022727 k( 126) = ( 0.2836921 -0.4875855 0.2921131), wk = 0.0022727 k( 127) = ( 0.2782365 -0.4782089 0.2921131), wk = 0.0022727 k( 128) = ( 0.2727809 -0.4688322 0.2921131), wk = 0.0022727 k( 129) = ( 0.2673252 -0.4594556 0.2921131), wk = 0.0022727 k( 130) = ( 0.2618696 -0.4500789 0.2921131), wk = 0.0022727 k( 131) = ( 0.2564140 -0.4407023 0.2921131), wk = 0.0022727 k( 132) = ( 0.2509584 -0.4313256 0.2921131), wk = 0.0022727 k( 133) = ( 0.2455028 -0.4219490 0.2921131), wk = 0.0022727 k( 134) = ( 0.2400472 -0.4125724 0.2921131), wk = 0.0022727 k( 135) = ( 0.2345915 -0.4031957 0.2921131), wk = 0.0022727 k( 136) = ( 0.2291359 -0.3938191 0.2921131), wk = 0.0022727 k( 137) = ( 0.2236803 -0.3844424 0.2921131), wk = 0.0022727 k( 138) = ( 0.2182247 -0.3750658 0.2921131), wk = 0.0022727 k( 139) = ( 0.2127691 -0.3656891 0.2921131), wk = 0.0022727 k( 140) = ( 0.2073135 -0.3563125 0.2921131), wk = 0.0022727 k( 141) = ( 0.2018578 -0.3469359 0.2921131), wk = 0.0022727 k( 142) = ( 0.1964022 -0.3375592 0.2921131), wk = 0.0022727 k( 143) = ( 0.1909466 -0.3281826 0.2921131), wk = 0.0022727 k( 144) = ( 0.1854910 -0.3188059 0.2921131), wk = 0.0022727 k( 145) = ( 0.1800354 -0.3094293 0.2921131), wk = 0.0022727 k( 146) = ( 0.1745798 -0.3000526 0.2921131), wk = 0.0022727 k( 147) = ( 0.1691241 -0.2906760 0.2921131), wk = 0.0022727 k( 148) = ( 0.1636685 -0.2812993 0.2921131), wk = 0.0022727 k( 149) = ( 0.1582129 -0.2719227 0.2921131), wk = 0.0022727 k( 150) = ( 0.1527573 -0.2625460 0.2921131), wk = 0.0022727 k( 151) = ( 0.1473017 -0.2531694 0.2921131), wk = 0.0022727 k( 152) = ( 0.1418461 -0.2437928 0.2921131), wk = 0.0022727 k( 153) = ( 0.1363904 -0.2344161 0.2921131), wk = 0.0022727 k( 154) = ( 0.1309348 -0.2250395 0.2921131), wk = 0.0022727 k( 155) = ( 0.1254792 -0.2156628 0.2921131), wk = 0.0022727 k( 156) = ( 0.1200236 -0.2062862 0.2921131), wk = 0.0022727 k( 157) = ( 0.1145680 -0.1969095 0.2921131), wk = 0.0022727 k( 158) = ( 0.1091123 -0.1875329 0.2921131), wk = 0.0022727 k( 159) = ( 0.1036567 -0.1781563 0.2921131), wk = 0.0022727 k( 160) = ( 0.0982011 -0.1687796 0.2921131), wk = 0.0022727 k( 161) = ( 0.0927455 -0.1594030 0.2921131), wk = 0.0022727 k( 162) = ( 0.0872899 -0.1500263 0.2921131), wk = 0.0022727 k( 163) = ( 0.0818343 -0.1406497 0.2921131), wk = 0.0022727 k( 164) = ( 0.0763786 -0.1312730 0.2921131), wk = 0.0022727 k( 165) = ( 0.0709230 -0.1218964 0.2921131), wk = 0.0022727 k( 166) = ( 0.0654674 -0.1125197 0.2921131), wk = 0.0022727 k( 167) = ( 0.0600118 -0.1031431 0.2921131), wk = 0.0022727 k( 168) = ( 0.0545562 -0.0937664 0.2921131), wk = 0.0022727 k( 169) = ( 0.0491005 -0.0843898 0.2921131), wk = 0.0022727 k( 170) = ( 0.0436449 -0.0750132 0.2921131), wk = 0.0022727 k( 171) = ( 0.0381893 -0.0656365 0.2921131), wk = 0.0022727 k( 172) = ( 0.0327337 -0.0562599 0.2921131), wk = 0.0022727 k( 173) = ( 0.0272781 -0.0468832 0.2921131), wk = 0.0022727 k( 174) = ( 0.0218225 -0.0375066 0.2921131), wk = 0.0022727 k( 175) = ( 0.0163668 -0.0281299 0.2921131), wk = 0.0022727 k( 176) = ( 0.0109112 -0.0187533 0.2921131), wk = 0.0022727 k( 177) = ( 0.0054556 -0.0093766 0.2921131), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.2921131), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.2921131), wk = 0.0022727 k( 180) = ( 0.0093338 0.0054307 0.2921131), wk = 0.0022727 k( 181) = ( 0.0186675 0.0108613 0.2921132), wk = 0.0022727 k( 182) = ( 0.0280012 0.0162920 0.2921131), wk = 0.0022727 k( 183) = ( 0.0373350 0.0217226 0.2921131), wk = 0.0022727 k( 184) = ( 0.0466687 0.0271533 0.2921131), wk = 0.0022727 k( 185) = ( 0.0560025 0.0325839 0.2921132), wk = 0.0022727 k( 186) = ( 0.0653362 0.0380146 0.2921131), wk = 0.0022727 k( 187) = ( 0.0746700 0.0434453 0.2921131), wk = 0.0022727 k( 188) = ( 0.0840037 0.0488759 0.2921132), wk = 0.0022727 k( 189) = ( 0.0933375 0.0543066 0.2921131), wk = 0.0022727 k( 190) = ( 0.1026712 0.0597372 0.2921131), wk = 0.0022727 k( 191) = ( 0.1120050 0.0651679 0.2921131), wk = 0.0022727 k( 192) = ( 0.1213387 0.0705985 0.2921132), wk = 0.0022727 k( 193) = ( 0.1306724 0.0760292 0.2921131), wk = 0.0022727 k( 194) = ( 0.1400062 0.0814599 0.2921131), wk = 0.0022727 k( 195) = ( 0.1493399 0.0868905 0.2921132), wk = 0.0022727 k( 196) = ( 0.1586737 0.0923212 0.2921131), wk = 0.0022727 k( 197) = ( 0.1680074 0.0977518 0.2921131), wk = 0.0022727 k( 198) = ( 0.1773412 0.1031825 0.2921131), wk = 0.0022727 k( 199) = ( 0.1866749 0.1086132 0.2921132), wk = 0.0022727 k( 200) = ( 0.1960087 0.1140438 0.2921131), wk = 0.0022727 k( 201) = ( 0.2053424 0.1194745 0.2921131), wk = 0.0022727 k( 202) = ( 0.2146762 0.1249051 0.2921132), wk = 0.0022727 k( 203) = ( 0.2240099 0.1303358 0.2921131), wk = 0.0022727 k( 204) = ( 0.2333436 0.1357664 0.2921131), wk = 0.0022727 k( 205) = ( 0.2426774 0.1411971 0.2921131), wk = 0.0022727 k( 206) = ( 0.2520111 0.1466278 0.2921132), wk = 0.0022727 k( 207) = ( 0.2613449 0.1520584 0.2921131), wk = 0.0022727 k( 208) = ( 0.2706786 0.1574891 0.2921131), wk = 0.0022727 k( 209) = ( 0.2800124 0.1629197 0.2921132), wk = 0.0022727 k( 210) = ( 0.2893461 0.1683504 0.2921131), wk = 0.0022727 k( 211) = ( 0.2986799 0.1737810 0.2921131), wk = 0.0022727 k( 212) = ( 0.3080136 0.1792117 0.2921131), wk = 0.0022727 k( 213) = ( 0.3173474 0.1846424 0.2921132), wk = 0.0022727 k( 214) = ( 0.3266811 0.1900730 0.2921131), wk = 0.0022727 k( 215) = ( 0.3360148 0.1955037 0.2921131), wk = 0.0022727 k( 216) = ( 0.3453486 0.2009343 0.2921131), wk = 0.0022727 k( 217) = ( 0.3546823 0.2063650 0.2921132), wk = 0.0022727 k( 218) = ( 0.3640161 0.2117956 0.2921131), wk = 0.0022727 k( 219) = ( 0.3733498 0.2172263 0.2921131), wk = 0.0022727 k( 220) = ( 0.3826836 0.2226570 0.2921132), wk = 0.0022727 k( 221) = ( 0.3920173 0.2280876 0.2921131), wk = 0.0022727 k( 222) = ( 0.4013511 0.2335183 0.2921131), wk = 0.0022727 k( 223) = ( 0.4106848 0.2389489 0.2921131), wk = 0.0022727 k( 224) = ( 0.4200186 0.2443796 0.2921132), wk = 0.0022727 k( 225) = ( 0.4293523 0.2498102 0.2921131), wk = 0.0022727 k( 226) = ( 0.4386860 0.2552409 0.2921131), wk = 0.0022727 k( 227) = ( 0.4480198 0.2606716 0.2921132), wk = 0.0022727 k( 228) = ( 0.4573535 0.2661022 0.2921131), wk = 0.0022727 k( 229) = ( 0.4666873 0.2715329 0.2921131), wk = 0.0022727 k( 230) = ( 0.4760210 0.2769635 0.2921131), wk = 0.0022727 k( 231) = ( 0.4853548 0.2823942 0.2921132), wk = 0.0022727 k( 232) = ( 0.4946885 0.2878248 0.2921131), wk = 0.0022727 k( 233) = ( 0.5000000 0.2909152 -0.0127233), wk = 0.0022727 k( 234) = ( 0.5053331 0.2817491 -0.0127233), wk = 0.0022727 k( 235) = ( 0.5106663 0.2725829 -0.0127233), wk = 0.0022727 k( 236) = ( 0.5159994 0.2634168 -0.0127233), wk = 0.0022727 k( 237) = ( 0.5213326 0.2542506 -0.0127233), wk = 0.0022727 k( 238) = ( 0.5266657 0.2450845 -0.0127233), wk = 0.0022727 k( 239) = ( 0.5319989 0.2359184 -0.0127233), wk = 0.0022727 k( 240) = ( 0.5373320 0.2267522 -0.0127233), wk = 0.0022727 k( 241) = ( 0.5426651 0.2175861 -0.0127233), wk = 0.0022727 k( 242) = ( 0.5479983 0.2084199 -0.0127233), wk = 0.0022727 k( 243) = ( 0.5533314 0.1992538 -0.0127233), wk = 0.0022727 k( 244) = ( 0.5586646 0.1900876 -0.0127233), wk = 0.0022727 k( 245) = ( 0.5639977 0.1809215 -0.0127233), wk = 0.0022727 k( 246) = ( 0.5693308 0.1717553 -0.0127233), wk = 0.0022727 k( 247) = ( 0.5746640 0.1625892 -0.0127233), wk = 0.0022727 k( 248) = ( 0.5799971 0.1534230 -0.0127233), wk = 0.0022727 k( 249) = ( 0.5853303 0.1442569 -0.0127233), wk = 0.0022727 k( 250) = ( 0.5906634 0.1350908 -0.0127233), wk = 0.0022727 k( 251) = ( 0.5959965 0.1259246 -0.0127233), wk = 0.0022727 k( 252) = ( 0.6013297 0.1167585 -0.0127233), wk = 0.0022727 k( 253) = ( 0.6066628 0.1075923 -0.0127233), wk = 0.0022727 k( 254) = ( 0.6119960 0.0984262 -0.0127233), wk = 0.0022727 k( 255) = ( 0.6173291 0.0892600 -0.0127233), wk = 0.0022727 k( 256) = ( 0.6226623 0.0800939 -0.0127233), wk = 0.0022727 k( 257) = ( 0.6279954 0.0709278 -0.0127233), wk = 0.0022727 k( 258) = ( 0.6333285 0.0617616 -0.0127233), wk = 0.0022727 k( 259) = ( 0.6386617 0.0525955 -0.0127233), wk = 0.0022727 k( 260) = ( 0.6439948 0.0434293 -0.0127233), wk = 0.0022727 k( 261) = ( 0.6493280 0.0342632 -0.0127233), wk = 0.0022727 k( 262) = ( 0.6546611 0.0250970 -0.0127233), wk = 0.0022727 k( 263) = ( 0.6599943 0.0159309 -0.0127233), wk = 0.0022727 k( 264) = ( 0.6653274 0.0067648 -0.0127233), wk = 0.0022727 k( 265) = ( 0.3346726 -0.5752064 0.0000000), wk = 0.0022727 k( 266) = ( 0.3291862 -0.5657768 0.0000000), wk = 0.0022727 k( 267) = ( 0.3236997 -0.5563472 0.0000000), wk = 0.0022727 k( 268) = ( 0.3182133 -0.5469176 0.0000000), wk = 0.0022727 k( 269) = ( 0.3127269 -0.5374880 0.0000000), wk = 0.0022727 k( 270) = ( 0.3072404 -0.5280584 0.0000000), wk = 0.0022727 k( 271) = ( 0.3017540 -0.5186287 0.0000000), wk = 0.0022727 k( 272) = ( 0.2962675 -0.5091991 0.0000000), wk = 0.0022727 k( 273) = ( 0.2907811 -0.4997695 0.0000000), wk = 0.0022727 k( 274) = ( 0.2852947 -0.4903399 0.0000000), wk = 0.0022727 k( 275) = ( 0.2798082 -0.4809103 0.0000000), wk = 0.0022727 k( 276) = ( 0.2743218 -0.4714807 0.0000000), wk = 0.0022727 k( 277) = ( 0.2688354 -0.4620511 0.0000000), wk = 0.0022727 k( 278) = ( 0.2633489 -0.4526215 0.0000000), wk = 0.0022727 k( 279) = ( 0.2578625 -0.4431918 0.0000000), wk = 0.0022727 k( 280) = ( 0.2523761 -0.4337622 0.0000000), wk = 0.0022727 k( 281) = ( 0.2468896 -0.4243326 0.0000000), wk = 0.0022727 k( 282) = ( 0.2414032 -0.4149030 0.0000000), wk = 0.0022727 k( 283) = ( 0.2359168 -0.4054734 0.0000000), wk = 0.0022727 k( 284) = ( 0.2304303 -0.3960438 0.0000000), wk = 0.0022727 k( 285) = ( 0.2249439 -0.3866141 0.0000000), wk = 0.0022727 k( 286) = ( 0.2194574 -0.3771845 0.0000000), wk = 0.0022727 k( 287) = ( 0.2139710 -0.3677549 0.0000000), wk = 0.0022727 k( 288) = ( 0.2084846 -0.3583253 0.0000000), wk = 0.0022727 k( 289) = ( 0.2029981 -0.3488957 0.0000000), wk = 0.0022727 k( 290) = ( 0.1975117 -0.3394661 0.0000000), wk = 0.0022727 k( 291) = ( 0.1920253 -0.3300365 0.0000000), wk = 0.0022727 k( 292) = ( 0.1865388 -0.3206069 0.0000000), wk = 0.0022727 k( 293) = ( 0.1810524 -0.3111772 0.0000000), wk = 0.0022727 k( 294) = ( 0.1755660 -0.3017476 0.0000000), wk = 0.0022727 k( 295) = ( 0.1700795 -0.2923180 0.0000000), wk = 0.0022727 k( 296) = ( 0.1645931 -0.2828884 0.0000000), wk = 0.0022727 k( 297) = ( 0.1591066 -0.2734588 0.0000000), wk = 0.0022727 k( 298) = ( 0.1536202 -0.2640292 0.0000000), wk = 0.0022727 k( 299) = ( 0.1481338 -0.2545996 0.0000000), wk = 0.0022727 k( 300) = ( 0.1426473 -0.2451700 0.0000000), wk = 0.0022727 k( 301) = ( 0.1371609 -0.2357403 0.0000000), wk = 0.0022727 k( 302) = ( 0.1316745 -0.2263107 0.0000000), wk = 0.0022727 k( 303) = ( 0.1261880 -0.2168811 0.0000000), wk = 0.0022727 k( 304) = ( 0.1207016 -0.2074515 0.0000000), wk = 0.0022727 k( 305) = ( 0.1152152 -0.1980219 0.0000000), wk = 0.0022727 k( 306) = ( 0.1097287 -0.1885923 0.0000000), wk = 0.0022727 k( 307) = ( 0.1042423 -0.1791627 0.0000000), wk = 0.0022727 k( 308) = ( 0.0987559 -0.1697330 0.0000000), wk = 0.0022727 k( 309) = ( 0.0932694 -0.1603034 0.0000000), wk = 0.0022727 k( 310) = ( 0.0877830 -0.1508738 0.0000000), wk = 0.0022727 k( 311) = ( 0.0822965 -0.1414442 0.0000000), wk = 0.0022727 k( 312) = ( 0.0768101 -0.1320146 0.0000000), wk = 0.0022727 k( 313) = ( 0.0713237 -0.1225850 0.0000000), wk = 0.0022727 k( 314) = ( 0.0658372 -0.1131554 0.0000000), wk = 0.0022727 k( 315) = ( 0.0603508 -0.1037258 0.0000000), wk = 0.0022727 k( 316) = ( 0.0548644 -0.0942961 0.0000000), wk = 0.0022727 k( 317) = ( 0.0493779 -0.0848665 0.0000000), wk = 0.0022727 k( 318) = ( 0.0438915 -0.0754369 0.0000000), wk = 0.0022727 k( 319) = ( 0.0384051 -0.0660073 0.0000000), wk = 0.0022727 k( 320) = ( 0.0329186 -0.0565777 0.0000000), wk = 0.0022727 k( 321) = ( 0.0274322 -0.0471481 0.0000000), wk = 0.0022727 k( 322) = ( 0.0219457 -0.0377184 0.0000000), wk = 0.0022727 k( 323) = ( 0.0164593 -0.0282888 0.0000000), wk = 0.0022727 k( 324) = ( 0.0109729 -0.0188592 0.0000000), wk = 0.0022727 k( 325) = ( 0.0054864 -0.0094296 0.0000000), wk = 0.0022727 k( 326) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 327) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 328) = ( 0.0094340 -0.0053627 -0.0001200), wk = 0.0022727 k( 329) = ( 0.0188679 -0.0107253 -0.0002401), wk = 0.0022727 k( 330) = ( 0.0283019 -0.0160880 -0.0003601), wk = 0.0022727 k( 331) = ( 0.0377359 -0.0214506 -0.0004801), wk = 0.0022727 k( 332) = ( 0.0471698 -0.0268133 -0.0006002), wk = 0.0022727 k( 333) = ( 0.0566038 -0.0321759 -0.0007202), wk = 0.0022727 k( 334) = ( 0.0660377 -0.0375386 -0.0008402), wk = 0.0022727 k( 335) = ( 0.0754717 -0.0429013 -0.0009603), wk = 0.0022727 k( 336) = ( 0.0849057 -0.0482639 -0.0010803), wk = 0.0022727 k( 337) = ( 0.0943396 -0.0536266 -0.0012003), wk = 0.0022727 k( 338) = ( 0.1037736 -0.0589892 -0.0013203), wk = 0.0022727 k( 339) = ( 0.1132076 -0.0643519 -0.0014404), wk = 0.0022727 k( 340) = ( 0.1226415 -0.0697145 -0.0015604), wk = 0.0022727 k( 341) = ( 0.1320755 -0.0750772 -0.0016804), wk = 0.0022727 k( 342) = ( 0.1415094 -0.0804399 -0.0018005), wk = 0.0022727 k( 343) = ( 0.1509434 -0.0858025 -0.0019205), wk = 0.0022727 k( 344) = ( 0.1603774 -0.0911652 -0.0020405), wk = 0.0022727 k( 345) = ( 0.1698113 -0.0965278 -0.0021606), wk = 0.0022727 k( 346) = ( 0.1792453 -0.1018905 -0.0022806), wk = 0.0022727 k( 347) = ( 0.1886792 -0.1072531 -0.0024006), wk = 0.0022727 k( 348) = ( 0.1981132 -0.1126158 -0.0025207), wk = 0.0022727 k( 349) = ( 0.2075472 -0.1179785 -0.0026407), wk = 0.0022727 k( 350) = ( 0.2169811 -0.1233411 -0.0027607), wk = 0.0022727 k( 351) = ( 0.2264151 -0.1287038 -0.0028808), wk = 0.0022727 k( 352) = ( 0.2358491 -0.1340664 -0.0030008), wk = 0.0022727 k( 353) = ( 0.2452830 -0.1394291 -0.0031208), wk = 0.0022727 k( 354) = ( 0.2547170 -0.1447917 -0.0032409), wk = 0.0022727 k( 355) = ( 0.2641509 -0.1501544 -0.0033609), wk = 0.0022727 k( 356) = ( 0.2735849 -0.1555171 -0.0034809), wk = 0.0022727 k( 357) = ( 0.2830189 -0.1608797 -0.0036009), wk = 0.0022727 k( 358) = ( 0.2924528 -0.1662424 -0.0037210), wk = 0.0022727 k( 359) = ( 0.3018868 -0.1716050 -0.0038410), wk = 0.0022727 k( 360) = ( 0.3113207 -0.1769677 -0.0039610), wk = 0.0022727 k( 361) = ( 0.3207547 -0.1823304 -0.0040811), wk = 0.0022727 k( 362) = ( 0.3301887 -0.1876930 -0.0042011), wk = 0.0022727 k( 363) = ( 0.3396226 -0.1930557 -0.0043211), wk = 0.0022727 k( 364) = ( 0.3490566 -0.1984183 -0.0044412), wk = 0.0022727 k( 365) = ( 0.3584906 -0.2037810 -0.0045612), wk = 0.0022727 k( 366) = ( 0.3679245 -0.2091436 -0.0046812), wk = 0.0022727 k( 367) = ( 0.3773585 -0.2145063 -0.0048013), wk = 0.0022727 k( 368) = ( 0.3867925 -0.2198689 -0.0049213), wk = 0.0022727 k( 369) = ( 0.3962264 -0.2252316 -0.0050413), wk = 0.0022727 k( 370) = ( 0.4056604 -0.2305943 -0.0051614), wk = 0.0022727 k( 371) = ( 0.4150943 -0.2359569 -0.0052814), wk = 0.0022727 k( 372) = ( 0.4245283 -0.2413196 -0.0054014), wk = 0.0022727 k( 373) = ( 0.4339623 -0.2466822 -0.0055215), wk = 0.0022727 k( 374) = ( 0.4433962 -0.2520449 -0.0056415), wk = 0.0022727 k( 375) = ( 0.4528302 -0.2574076 -0.0057615), wk = 0.0022727 k( 376) = ( 0.4622641 -0.2627702 -0.0058815), wk = 0.0022727 k( 377) = ( 0.4716981 -0.2681329 -0.0060016), wk = 0.0022727 k( 378) = ( 0.4811321 -0.2734955 -0.0061216), wk = 0.0022727 k( 379) = ( 0.4905660 -0.2788582 -0.0062416), wk = 0.0022727 k( 380) = ( 0.5000000 -0.2842208 -0.0063617), wk = 0.0022727 k( 381) = ( 0.5000000 -0.2842208 0.2857515), wk = 0.0022727 k( 382) = ( 0.4915254 -0.2794035 0.2809082), wk = 0.0022727 k( 383) = ( 0.4830508 -0.2745862 0.2760650), wk = 0.0022727 k( 384) = ( 0.4745763 -0.2697689 0.2712217), wk = 0.0022727 k( 385) = ( 0.4661017 -0.2649516 0.2663785), wk = 0.0022727 k( 386) = ( 0.4576271 -0.2601343 0.2615352), wk = 0.0022727 k( 387) = ( 0.4491525 -0.2553170 0.2566920), wk = 0.0022727 k( 388) = ( 0.4406780 -0.2504997 0.2518488), wk = 0.0022727 k( 389) = ( 0.4322034 -0.2456824 0.2470055), wk = 0.0022727 k( 390) = ( 0.4237288 -0.2408651 0.2421623), wk = 0.0022727 k( 391) = ( 0.4152542 -0.2360478 0.2373190), wk = 0.0022727 k( 392) = ( 0.4067797 -0.2312305 0.2324758), wk = 0.0022727 k( 393) = ( 0.3983051 -0.2264132 0.2276325), wk = 0.0022727 k( 394) = ( 0.3898305 -0.2215959 0.2227893), wk = 0.0022727 k( 395) = ( 0.3813559 -0.2167786 0.2179460), wk = 0.0022727 k( 396) = ( 0.3728814 -0.2119613 0.2131028), wk = 0.0022727 k( 397) = ( 0.3644068 -0.2071440 0.2082595), wk = 0.0022727 k( 398) = ( 0.3559322 -0.2023267 0.2034163), wk = 0.0022727 k( 399) = ( 0.3474576 -0.1975094 0.1985731), wk = 0.0022727 k( 400) = ( 0.3389831 -0.1926921 0.1937298), wk = 0.0022727 k( 401) = ( 0.3305085 -0.1878748 0.1888866), wk = 0.0022727 k( 402) = ( 0.3220339 -0.1830575 0.1840433), wk = 0.0022727 k( 403) = ( 0.3135593 -0.1782402 0.1792001), wk = 0.0022727 k( 404) = ( 0.3050848 -0.1734229 0.1743568), wk = 0.0022727 k( 405) = ( 0.2966102 -0.1686056 0.1695136), wk = 0.0022727 k( 406) = ( 0.2881356 -0.1637883 0.1646703), wk = 0.0022727 k( 407) = ( 0.2796610 -0.1589710 0.1598271), wk = 0.0022727 k( 408) = ( 0.2711864 -0.1541537 0.1549838), wk = 0.0022727 k( 409) = ( 0.2627119 -0.1493364 0.1501406), wk = 0.0022727 k( 410) = ( 0.2542373 -0.1445191 0.1452974), wk = 0.0022727 k( 411) = ( 0.2457627 -0.1397018 0.1404541), wk = 0.0022727 k( 412) = ( 0.2372881 -0.1348845 0.1356109), wk = 0.0022727 k( 413) = ( 0.2288136 -0.1300672 0.1307676), wk = 0.0022727 k( 414) = ( 0.2203390 -0.1252499 0.1259244), wk = 0.0022727 k( 415) = ( 0.2118644 -0.1204326 0.1210811), wk = 0.0022727 k( 416) = ( 0.2033898 -0.1156153 0.1162379), wk = 0.0022727 k( 417) = ( 0.1949153 -0.1107980 0.1113946), wk = 0.0022727 k( 418) = ( 0.1864407 -0.1059807 0.1065514), wk = 0.0022727 k( 419) = ( 0.1779661 -0.1011633 0.1017082), wk = 0.0022727 k( 420) = ( 0.1694915 -0.0963460 0.0968649), wk = 0.0022727 k( 421) = ( 0.1610169 -0.0915287 0.0920217), wk = 0.0022727 k( 422) = ( 0.1525424 -0.0867114 0.0871784), wk = 0.0022727 k( 423) = ( 0.1440678 -0.0818941 0.0823352), wk = 0.0022727 k( 424) = ( 0.1355932 -0.0770768 0.0774919), wk = 0.0022727 k( 425) = ( 0.1271186 -0.0722595 0.0726487), wk = 0.0022727 k( 426) = ( 0.1186441 -0.0674422 0.0678054), wk = 0.0022727 k( 427) = ( 0.1101695 -0.0626249 0.0629622), wk = 0.0022727 k( 428) = ( 0.1016949 -0.0578076 0.0581189), wk = 0.0022727 k( 429) = ( 0.0932203 -0.0529903 0.0532757), wk = 0.0022727 k( 430) = ( 0.0847458 -0.0481730 0.0484325), wk = 0.0022727 k( 431) = ( 0.0762712 -0.0433557 0.0435892), wk = 0.0022727 k( 432) = ( 0.0677966 -0.0385384 0.0387460), wk = 0.0022727 k( 433) = ( 0.0593220 -0.0337211 0.0339027), wk = 0.0022727 k( 434) = ( 0.0508475 -0.0289038 0.0290595), wk = 0.0022727 k( 435) = ( 0.0423729 -0.0240865 0.0242162), wk = 0.0022727 k( 436) = ( 0.0338983 -0.0192692 0.0193730), wk = 0.0022727 k( 437) = ( 0.0254237 -0.0144519 0.0145297), wk = 0.0022727 k( 438) = ( 0.0169491 -0.0096346 0.0096865), wk = 0.0022727 k( 439) = ( 0.0084746 -0.0048173 0.0048432), wk = 0.0022727 k( 440) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0022727 k( 3) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0022727 k( 4) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0022727 k( 8) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0022727 k( 10) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0022727 k( 11) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0022727 k( 12) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0022727 k( 13) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0022727 k( 14) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0022727 k( 15) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0022727 k( 16) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0022727 k( 17) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0022727 k( 18) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0022727 k( 19) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0022727 k( 20) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0022727 k( 21) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0022727 k( 22) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0022727 k( 23) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0022727 k( 24) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0022727 k( 25) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0022727 k( 26) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0022727 k( 27) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0022727 k( 28) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0022727 k( 29) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0022727 k( 30) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0022727 k( 31) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0022727 k( 32) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0022727 k( 33) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0022727 k( 34) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0022727 k( 35) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0022727 k( 36) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0022727 k( 37) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0022727 k( 38) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0022727 k( 39) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0022727 k( 40) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0022727 k( 41) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0022727 k( 42) = ( 0.3867925 0.3867925 -0.0000000), wk = 0.0022727 k( 43) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0022727 k( 44) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0022727 k( 45) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0022727 k( 46) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0022727 k( 47) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0022727 k( 48) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0022727 k( 49) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0022727 k( 50) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0022727 k( 51) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0022727 k( 52) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0022727 k( 53) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0022727 k( 54) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 55) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 56) = ( 0.5002043 0.5002043 0.0184020), wk = 0.0022727 k( 57) = ( 0.5004086 0.5004086 0.0368041), wk = 0.0022727 k( 58) = ( 0.5006129 0.5006129 0.0552061), wk = 0.0022727 k( 59) = ( 0.5008172 0.5008171 0.0736082), wk = 0.0022727 k( 60) = ( 0.5010214 0.5010214 0.0920102), wk = 0.0022727 k( 61) = ( 0.5012257 0.5012257 0.1104123), wk = 0.0022727 k( 62) = ( 0.5014300 0.5014300 0.1288143), wk = 0.0022727 k( 63) = ( 0.5016343 0.5016343 0.1472164), wk = 0.0022727 k( 64) = ( 0.5018386 0.5018386 0.1656184), wk = 0.0022727 k( 65) = ( 0.5020429 0.5020429 0.1840205), wk = 0.0022727 k( 66) = ( 0.5022472 0.5022472 0.2024225), wk = 0.0022727 k( 67) = ( 0.5024515 0.5024514 0.2208246), wk = 0.0022727 k( 68) = ( 0.5026557 0.5026557 0.2392266), wk = 0.0022727 k( 69) = ( 0.5028600 0.5028600 0.2576287), wk = 0.0022727 k( 70) = ( 0.5030643 0.5030643 0.2760307), wk = 0.0022727 k( 71) = ( 0.5032686 0.5032686 0.2944328), wk = 0.0022727 k( 72) = ( 0.5034729 0.5034729 0.3128348), wk = 0.0022727 k( 73) = ( 0.5036772 0.5036772 0.3312369), wk = 0.0022727 k( 74) = ( 0.5038815 0.5038815 0.3496389), wk = 0.0022727 k( 75) = ( 0.5040857 0.5040857 0.3680409), wk = 0.0022727 k( 76) = ( 0.5042900 0.5042900 0.3864430), wk = 0.0022727 k( 77) = ( 0.5044943 0.5044943 0.4048450), wk = 0.0022727 k( 78) = ( 0.5046986 0.5046986 0.4232471), wk = 0.0022727 k( 79) = ( 0.5049029 0.5049029 0.4416491), wk = 0.0022727 k( 80) = ( 0.5051072 0.5051072 0.4600512), wk = 0.0022727 k( 81) = ( 0.5053115 0.5053115 0.4784532), wk = 0.0022727 k( 82) = ( 0.5053115 0.5053115 0.4784532), wk = 0.0022727 k( 83) = ( 0.5026557 0.5026557 0.4892266), wk = 0.0022727 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 85) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 86) = ( 0.5053938 0.4946062 0.5000000), wk = 0.0022727 k( 87) = ( 0.5107876 0.4892124 0.5000000), wk = 0.0022727 k( 88) = ( 0.5161814 0.4838186 0.5000000), wk = 0.0022727 k( 89) = ( 0.5215751 0.4784249 0.5000000), wk = 0.0022727 k( 90) = ( 0.5269689 0.4730311 0.5000000), wk = 0.0022727 k( 91) = ( 0.5323627 0.4676373 0.5000000), wk = 0.0022727 k( 92) = ( 0.5377565 0.4622435 0.5000000), wk = 0.0022727 k( 93) = ( 0.5431503 0.4568497 0.5000000), wk = 0.0022727 k( 94) = ( 0.5485441 0.4514559 0.5000000), wk = 0.0022727 k( 95) = ( 0.5539379 0.4460621 0.5000000), wk = 0.0022727 k( 96) = ( 0.5593316 0.4406684 0.5000000), wk = 0.0022727 k( 97) = ( 0.5647254 0.4352746 0.5000000), wk = 0.0022727 k( 98) = ( 0.5701192 0.4298808 0.5000000), wk = 0.0022727 k( 99) = ( 0.5755130 0.4244870 0.5000000), wk = 0.0022727 k( 100) = ( 0.5809068 0.4190932 0.5000000), wk = 0.0022727 k( 101) = ( 0.5863006 0.4136994 0.5000000), wk = 0.0022727 k( 102) = ( 0.5916944 0.4083056 0.5000000), wk = 0.0022727 k( 103) = ( 0.5970881 0.4029119 0.5000000), wk = 0.0022727 k( 104) = ( 0.6024819 0.3975181 0.5000000), wk = 0.0022727 k( 105) = ( 0.6078757 0.3921243 0.5000000), wk = 0.0022727 k( 106) = ( 0.6132695 0.3867305 0.5000000), wk = 0.0022727 k( 107) = ( 0.6186633 0.3813367 0.5000000), wk = 0.0022727 k( 108) = ( 0.6240571 0.3759429 0.5000000), wk = 0.0022727 k( 109) = ( 0.6294509 0.3705491 0.5000000), wk = 0.0022727 k( 110) = ( 0.6348446 0.3651554 0.5000000), wk = 0.0022727 k( 111) = ( 0.6402384 0.3597616 0.5000000), wk = 0.0022727 k( 112) = ( 0.6456322 0.3543678 0.5000000), wk = 0.0022727 k( 113) = ( 0.6510260 0.3489740 0.5000000), wk = 0.0022727 k( 114) = ( 0.6564198 0.3435802 0.5000000), wk = 0.0022727 k( 115) = ( 0.6618136 0.3381864 0.5000000), wk = 0.0022727 k( 116) = ( 0.6672073 0.3327926 0.5000000), wk = 0.0022727 k( 117) = ( 0.3327927 -0.3327927 0.5000000), wk = 0.0022727 k( 118) = ( 0.3273370 -0.3273370 0.5000000), wk = 0.0022727 k( 119) = ( 0.3218814 -0.3218814 0.5000000), wk = 0.0022727 k( 120) = ( 0.3164258 -0.3164258 0.5000000), wk = 0.0022727 k( 121) = ( 0.3109702 -0.3109702 0.5000000), wk = 0.0022727 k( 122) = ( 0.3055146 -0.3055146 0.5000000), wk = 0.0022727 k( 123) = ( 0.3000589 -0.3000589 0.5000000), wk = 0.0022727 k( 124) = ( 0.2946033 -0.2946033 0.5000000), wk = 0.0022727 k( 125) = ( 0.2891477 -0.2891477 0.5000000), wk = 0.0022727 k( 126) = ( 0.2836921 -0.2836921 0.5000000), wk = 0.0022727 k( 127) = ( 0.2782365 -0.2782365 0.5000000), wk = 0.0022727 k( 128) = ( 0.2727809 -0.2727809 0.5000000), wk = 0.0022727 k( 129) = ( 0.2673252 -0.2673252 0.5000000), wk = 0.0022727 k( 130) = ( 0.2618696 -0.2618696 0.5000000), wk = 0.0022727 k( 131) = ( 0.2564140 -0.2564140 0.5000000), wk = 0.0022727 k( 132) = ( 0.2509584 -0.2509584 0.5000000), wk = 0.0022727 k( 133) = ( 0.2455028 -0.2455028 0.5000000), wk = 0.0022727 k( 134) = ( 0.2400472 -0.2400472 0.5000000), wk = 0.0022727 k( 135) = ( 0.2345915 -0.2345915 0.5000000), wk = 0.0022727 k( 136) = ( 0.2291359 -0.2291359 0.5000000), wk = 0.0022727 k( 137) = ( 0.2236803 -0.2236803 0.5000000), wk = 0.0022727 k( 138) = ( 0.2182247 -0.2182247 0.5000000), wk = 0.0022727 k( 139) = ( 0.2127691 -0.2127691 0.5000000), wk = 0.0022727 k( 140) = ( 0.2073135 -0.2073135 0.5000000), wk = 0.0022727 k( 141) = ( 0.2018578 -0.2018578 0.5000000), wk = 0.0022727 k( 142) = ( 0.1964022 -0.1964022 0.5000000), wk = 0.0022727 k( 143) = ( 0.1909466 -0.1909466 0.5000000), wk = 0.0022727 k( 144) = ( 0.1854910 -0.1854910 0.5000000), wk = 0.0022727 k( 145) = ( 0.1800354 -0.1800354 0.5000000), wk = 0.0022727 k( 146) = ( 0.1745798 -0.1745798 0.5000000), wk = 0.0022727 k( 147) = ( 0.1691241 -0.1691241 0.5000000), wk = 0.0022727 k( 148) = ( 0.1636685 -0.1636685 0.5000000), wk = 0.0022727 k( 149) = ( 0.1582129 -0.1582129 0.5000000), wk = 0.0022727 k( 150) = ( 0.1527573 -0.1527573 0.5000000), wk = 0.0022727 k( 151) = ( 0.1473017 -0.1473017 0.5000000), wk = 0.0022727 k( 152) = ( 0.1418461 -0.1418461 0.5000000), wk = 0.0022727 k( 153) = ( 0.1363904 -0.1363904 0.5000000), wk = 0.0022727 k( 154) = ( 0.1309348 -0.1309348 0.5000000), wk = 0.0022727 k( 155) = ( 0.1254792 -0.1254792 0.5000000), wk = 0.0022727 k( 156) = ( 0.1200236 -0.1200236 0.5000000), wk = 0.0022727 k( 157) = ( 0.1145680 -0.1145680 0.5000000), wk = 0.0022727 k( 158) = ( 0.1091123 -0.1091123 0.5000000), wk = 0.0022727 k( 159) = ( 0.1036567 -0.1036567 0.5000000), wk = 0.0022727 k( 160) = ( 0.0982011 -0.0982011 0.5000000), wk = 0.0022727 k( 161) = ( 0.0927455 -0.0927455 0.5000000), wk = 0.0022727 k( 162) = ( 0.0872899 -0.0872899 0.5000000), wk = 0.0022727 k( 163) = ( 0.0818343 -0.0818343 0.5000000), wk = 0.0022727 k( 164) = ( 0.0763786 -0.0763786 0.5000000), wk = 0.0022727 k( 165) = ( 0.0709230 -0.0709230 0.5000000), wk = 0.0022727 k( 166) = ( 0.0654674 -0.0654674 0.5000000), wk = 0.0022727 k( 167) = ( 0.0600118 -0.0600118 0.5000000), wk = 0.0022727 k( 168) = ( 0.0545562 -0.0545562 0.5000000), wk = 0.0022727 k( 169) = ( 0.0491005 -0.0491005 0.5000000), wk = 0.0022727 k( 170) = ( 0.0436449 -0.0436449 0.5000000), wk = 0.0022727 k( 171) = ( 0.0381893 -0.0381893 0.5000000), wk = 0.0022727 k( 172) = ( 0.0327337 -0.0327337 0.5000000), wk = 0.0022727 k( 173) = ( 0.0272781 -0.0272781 0.5000000), wk = 0.0022727 k( 174) = ( 0.0218225 -0.0218225 0.5000000), wk = 0.0022727 k( 175) = ( 0.0163668 -0.0163668 0.5000000), wk = 0.0022727 k( 176) = ( 0.0109112 -0.0109112 0.5000000), wk = 0.0022727 k( 177) = ( 0.0054556 -0.0054556 0.5000000), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 180) = ( 0.0093338 0.0093337 0.5004065), wk = 0.0022727 k( 181) = ( 0.0186675 0.0186675 0.5008131), wk = 0.0022727 k( 182) = ( 0.0280012 0.0280012 0.5012196), wk = 0.0022727 k( 183) = ( 0.0373350 0.0373350 0.5016262), wk = 0.0022727 k( 184) = ( 0.0466687 0.0466687 0.5020327), wk = 0.0022727 k( 185) = ( 0.0560025 0.0560025 0.5024393), wk = 0.0022727 k( 186) = ( 0.0653362 0.0653362 0.5028458), wk = 0.0022727 k( 187) = ( 0.0746700 0.0746700 0.5032523), wk = 0.0022727 k( 188) = ( 0.0840037 0.0840037 0.5036589), wk = 0.0022727 k( 189) = ( 0.0933375 0.0933375 0.5040654), wk = 0.0022727 k( 190) = ( 0.1026712 0.1026712 0.5044720), wk = 0.0022727 k( 191) = ( 0.1120050 0.1120050 0.5048785), wk = 0.0022727 k( 192) = ( 0.1213387 0.1213387 0.5052851), wk = 0.0022727 k( 193) = ( 0.1306724 0.1306724 0.5056916), wk = 0.0022727 k( 194) = ( 0.1400062 0.1400062 0.5060981), wk = 0.0022727 k( 195) = ( 0.1493399 0.1493399 0.5065047), wk = 0.0022727 k( 196) = ( 0.1586737 0.1586737 0.5069112), wk = 0.0022727 k( 197) = ( 0.1680074 0.1680074 0.5073178), wk = 0.0022727 k( 198) = ( 0.1773412 0.1773412 0.5077243), wk = 0.0022727 k( 199) = ( 0.1866749 0.1866749 0.5081309), wk = 0.0022727 k( 200) = ( 0.1960087 0.1960087 0.5085374), wk = 0.0022727 k( 201) = ( 0.2053424 0.2053424 0.5089439), wk = 0.0022727 k( 202) = ( 0.2146762 0.2146762 0.5093505), wk = 0.0022727 k( 203) = ( 0.2240099 0.2240099 0.5097570), wk = 0.0022727 k( 204) = ( 0.2333436 0.2333436 0.5101636), wk = 0.0022727 k( 205) = ( 0.2426774 0.2426774 0.5105701), wk = 0.0022727 k( 206) = ( 0.2520111 0.2520111 0.5109767), wk = 0.0022727 k( 207) = ( 0.2613449 0.2613449 0.5113832), wk = 0.0022727 k( 208) = ( 0.2706786 0.2706786 0.5117897), wk = 0.0022727 k( 209) = ( 0.2800124 0.2800124 0.5121963), wk = 0.0022727 k( 210) = ( 0.2893461 0.2893461 0.5126028), wk = 0.0022727 k( 211) = ( 0.2986799 0.2986799 0.5130094), wk = 0.0022727 k( 212) = ( 0.3080136 0.3080136 0.5134159), wk = 0.0022727 k( 213) = ( 0.3173474 0.3173474 0.5138225), wk = 0.0022727 k( 214) = ( 0.3266811 0.3266811 0.5142290), wk = 0.0022727 k( 215) = ( 0.3360148 0.3360148 0.5146355), wk = 0.0022727 k( 216) = ( 0.3453486 0.3453486 0.5150421), wk = 0.0022727 k( 217) = ( 0.3546823 0.3546823 0.5154486), wk = 0.0022727 k( 218) = ( 0.3640161 0.3640161 0.5158552), wk = 0.0022727 k( 219) = ( 0.3733498 0.3733498 0.5162617), wk = 0.0022727 k( 220) = ( 0.3826836 0.3826836 0.5166683), wk = 0.0022727 k( 221) = ( 0.3920173 0.3920173 0.5170748), wk = 0.0022727 k( 222) = ( 0.4013511 0.4013511 0.5174813), wk = 0.0022727 k( 223) = ( 0.4106848 0.4106848 0.5178879), wk = 0.0022727 k( 224) = ( 0.4200186 0.4200186 0.5182944), wk = 0.0022727 k( 225) = ( 0.4293523 0.4293523 0.5187010), wk = 0.0022727 k( 226) = ( 0.4386860 0.4386860 0.5191075), wk = 0.0022727 k( 227) = ( 0.4480198 0.4480198 0.5195141), wk = 0.0022727 k( 228) = ( 0.4573535 0.4573535 0.5199206), wk = 0.0022727 k( 229) = ( 0.4666873 0.4666873 0.5203271), wk = 0.0022727 k( 230) = ( 0.4760210 0.4760210 0.5207337), wk = 0.0022727 k( 231) = ( 0.4853548 0.4853548 0.5211402), wk = 0.0022727 k( 232) = ( 0.4946885 0.4946885 0.5215468), wk = 0.0022727 k( 233) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 234) = ( 0.5053331 0.4946669 -0.0000000), wk = 0.0022727 k( 235) = ( 0.5106663 0.4893337 -0.0000000), wk = 0.0022727 k( 236) = ( 0.5159994 0.4840006 -0.0000000), wk = 0.0022727 k( 237) = ( 0.5213326 0.4786674 -0.0000000), wk = 0.0022727 k( 238) = ( 0.5266657 0.4733343 -0.0000000), wk = 0.0022727 k( 239) = ( 0.5319989 0.4680011 -0.0000000), wk = 0.0022727 k( 240) = ( 0.5373320 0.4626680 -0.0000000), wk = 0.0022727 k( 241) = ( 0.5426651 0.4573349 -0.0000000), wk = 0.0022727 k( 242) = ( 0.5479983 0.4520017 -0.0000000), wk = 0.0022727 k( 243) = ( 0.5533314 0.4466686 -0.0000000), wk = 0.0022727 k( 244) = ( 0.5586646 0.4413354 -0.0000000), wk = 0.0022727 k( 245) = ( 0.5639977 0.4360023 -0.0000000), wk = 0.0022727 k( 246) = ( 0.5693308 0.4306692 -0.0000000), wk = 0.0022727 k( 247) = ( 0.5746640 0.4253360 -0.0000000), wk = 0.0022727 k( 248) = ( 0.5799971 0.4200029 -0.0000000), wk = 0.0022727 k( 249) = ( 0.5853303 0.4146697 -0.0000000), wk = 0.0022727 k( 250) = ( 0.5906634 0.4093366 0.0000000), wk = 0.0022727 k( 251) = ( 0.5959965 0.4040034 -0.0000000), wk = 0.0022727 k( 252) = ( 0.6013297 0.3986703 -0.0000000), wk = 0.0022727 k( 253) = ( 0.6066628 0.3933372 -0.0000000), wk = 0.0022727 k( 254) = ( 0.6119960 0.3880040 -0.0000000), wk = 0.0022727 k( 255) = ( 0.6173291 0.3826709 -0.0000000), wk = 0.0022727 k( 256) = ( 0.6226623 0.3773377 -0.0000000), wk = 0.0022727 k( 257) = ( 0.6279954 0.3720046 -0.0000000), wk = 0.0022727 k( 258) = ( 0.6333285 0.3666715 -0.0000000), wk = 0.0022727 k( 259) = ( 0.6386617 0.3613383 -0.0000000), wk = 0.0022727 k( 260) = ( 0.6439948 0.3560052 -0.0000000), wk = 0.0022727 k( 261) = ( 0.6493280 0.3506720 -0.0000000), wk = 0.0022727 k( 262) = ( 0.6546611 0.3453389 -0.0000000), wk = 0.0022727 k( 263) = ( 0.6599943 0.3400057 -0.0000000), wk = 0.0022727 k( 264) = ( 0.6653274 0.3346726 -0.0000000), wk = 0.0022727 k( 265) = ( 0.3346726 -0.3346726 0.0000000), wk = 0.0022727 k( 266) = ( 0.3291862 -0.3291862 0.0000000), wk = 0.0022727 k( 267) = ( 0.3236997 -0.3236997 0.0000000), wk = 0.0022727 k( 268) = ( 0.3182133 -0.3182133 0.0000000), wk = 0.0022727 k( 269) = ( 0.3127269 -0.3127269 -0.0000000), wk = 0.0022727 k( 270) = ( 0.3072404 -0.3072404 0.0000000), wk = 0.0022727 k( 271) = ( 0.3017540 -0.3017540 0.0000000), wk = 0.0022727 k( 272) = ( 0.2962675 -0.2962675 0.0000000), wk = 0.0022727 k( 273) = ( 0.2907811 -0.2907811 0.0000000), wk = 0.0022727 k( 274) = ( 0.2852947 -0.2852947 0.0000000), wk = 0.0022727 k( 275) = ( 0.2798082 -0.2798082 0.0000000), wk = 0.0022727 k( 276) = ( 0.2743218 -0.2743218 0.0000000), wk = 0.0022727 k( 277) = ( 0.2688354 -0.2688354 0.0000000), wk = 0.0022727 k( 278) = ( 0.2633489 -0.2633489 0.0000000), wk = 0.0022727 k( 279) = ( 0.2578625 -0.2578625 0.0000000), wk = 0.0022727 k( 280) = ( 0.2523761 -0.2523761 0.0000000), wk = 0.0022727 k( 281) = ( 0.2468896 -0.2468896 0.0000000), wk = 0.0022727 k( 282) = ( 0.2414032 -0.2414032 0.0000000), wk = 0.0022727 k( 283) = ( 0.2359168 -0.2359168 0.0000000), wk = 0.0022727 k( 284) = ( 0.2304303 -0.2304303 0.0000000), wk = 0.0022727 k( 285) = ( 0.2249439 -0.2249439 -0.0000000), wk = 0.0022727 k( 286) = ( 0.2194574 -0.2194574 0.0000000), wk = 0.0022727 k( 287) = ( 0.2139710 -0.2139710 0.0000000), wk = 0.0022727 k( 288) = ( 0.2084846 -0.2084846 0.0000000), wk = 0.0022727 k( 289) = ( 0.2029981 -0.2029981 -0.0000000), wk = 0.0022727 k( 290) = ( 0.1975117 -0.1975117 -0.0000000), wk = 0.0022727 k( 291) = ( 0.1920253 -0.1920253 0.0000000), wk = 0.0022727 k( 292) = ( 0.1865388 -0.1865388 0.0000000), wk = 0.0022727 k( 293) = ( 0.1810524 -0.1810524 0.0000000), wk = 0.0022727 k( 294) = ( 0.1755660 -0.1755660 0.0000000), wk = 0.0022727 k( 295) = ( 0.1700795 -0.1700795 0.0000000), wk = 0.0022727 k( 296) = ( 0.1645931 -0.1645931 0.0000000), wk = 0.0022727 k( 297) = ( 0.1591066 -0.1591066 0.0000000), wk = 0.0022727 k( 298) = ( 0.1536202 -0.1536202 0.0000000), wk = 0.0022727 k( 299) = ( 0.1481338 -0.1481338 0.0000000), wk = 0.0022727 k( 300) = ( 0.1426473 -0.1426473 0.0000000), wk = 0.0022727 k( 301) = ( 0.1371609 -0.1371609 0.0000000), wk = 0.0022727 k( 302) = ( 0.1316745 -0.1316745 0.0000000), wk = 0.0022727 k( 303) = ( 0.1261880 -0.1261880 0.0000000), wk = 0.0022727 k( 304) = ( 0.1207016 -0.1207016 -0.0000000), wk = 0.0022727 k( 305) = ( 0.1152152 -0.1152152 0.0000000), wk = 0.0022727 k( 306) = ( 0.1097287 -0.1097287 0.0000000), wk = 0.0022727 k( 307) = ( 0.1042423 -0.1042423 0.0000000), wk = 0.0022727 k( 308) = ( 0.0987559 -0.0987559 -0.0000000), wk = 0.0022727 k( 309) = ( 0.0932694 -0.0932694 0.0000000), wk = 0.0022727 k( 310) = ( 0.0877830 -0.0877830 0.0000000), wk = 0.0022727 k( 311) = ( 0.0822965 -0.0822965 0.0000000), wk = 0.0022727 k( 312) = ( 0.0768101 -0.0768101 0.0000000), wk = 0.0022727 k( 313) = ( 0.0713237 -0.0713237 0.0000000), wk = 0.0022727 k( 314) = ( 0.0658372 -0.0658372 -0.0000000), wk = 0.0022727 k( 315) = ( 0.0603508 -0.0603508 -0.0000000), wk = 0.0022727 k( 316) = ( 0.0548644 -0.0548644 0.0000000), wk = 0.0022727 k( 317) = ( 0.0493779 -0.0493779 -0.0000000), wk = 0.0022727 k( 318) = ( 0.0438915 -0.0438915 0.0000000), wk = 0.0022727 k( 319) = ( 0.0384051 -0.0384050 0.0000000), wk = 0.0022727 k( 320) = ( 0.0329186 -0.0329186 0.0000000), wk = 0.0022727 k( 321) = ( 0.0274322 -0.0274322 0.0000000), wk = 0.0022727 k( 322) = ( 0.0219457 -0.0219457 0.0000000), wk = 0.0022727 k( 323) = ( 0.0164593 -0.0164593 0.0000000), wk = 0.0022727 k( 324) = ( 0.0109729 -0.0109729 0.0000000), wk = 0.0022727 k( 325) = ( 0.0054864 -0.0054864 0.0000000), wk = 0.0022727 k( 326) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 327) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 328) = ( 0.0094340 -0.0000000 0.0000000), wk = 0.0022727 k( 329) = ( 0.0188679 -0.0000000 0.0000000), wk = 0.0022727 k( 330) = ( 0.0283019 -0.0000000 -0.0000000), wk = 0.0022727 k( 331) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0022727 k( 332) = ( 0.0471698 -0.0000000 -0.0000000), wk = 0.0022727 k( 333) = ( 0.0566038 -0.0000000 0.0000000), wk = 0.0022727 k( 334) = ( 0.0660377 -0.0000000 0.0000000), wk = 0.0022727 k( 335) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0022727 k( 336) = ( 0.0849057 -0.0000000 0.0000000), wk = 0.0022727 k( 337) = ( 0.0943396 -0.0000000 -0.0000000), wk = 0.0022727 k( 338) = ( 0.1037736 -0.0000000 -0.0000000), wk = 0.0022727 k( 339) = ( 0.1132076 -0.0000000 -0.0000000), wk = 0.0022727 k( 340) = ( 0.1226415 -0.0000000 -0.0000000), wk = 0.0022727 k( 341) = ( 0.1320755 -0.0000000 -0.0000000), wk = 0.0022727 k( 342) = ( 0.1415094 -0.0000000 -0.0000000), wk = 0.0022727 k( 343) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0022727 k( 344) = ( 0.1603774 -0.0000000 -0.0000000), wk = 0.0022727 k( 345) = ( 0.1698113 -0.0000000 0.0000000), wk = 0.0022727 k( 346) = ( 0.1792453 -0.0000000 0.0000000), wk = 0.0022727 k( 347) = ( 0.1886792 -0.0000000 0.0000000), wk = 0.0022727 k( 348) = ( 0.1981132 -0.0000000 -0.0000000), wk = 0.0022727 k( 349) = ( 0.2075472 -0.0000000 0.0000000), wk = 0.0022727 k( 350) = ( 0.2169811 -0.0000000 -0.0000000), wk = 0.0022727 k( 351) = ( 0.2264151 -0.0000000 0.0000000), wk = 0.0022727 k( 352) = ( 0.2358491 -0.0000000 0.0000000), wk = 0.0022727 k( 353) = ( 0.2452830 -0.0000000 -0.0000000), wk = 0.0022727 k( 354) = ( 0.2547170 -0.0000000 -0.0000000), wk = 0.0022727 k( 355) = ( 0.2641509 -0.0000000 -0.0000000), wk = 0.0022727 k( 356) = ( 0.2735849 -0.0000000 -0.0000000), wk = 0.0022727 k( 357) = ( 0.2830189 -0.0000000 0.0000000), wk = 0.0022727 k( 358) = ( 0.2924528 -0.0000000 -0.0000000), wk = 0.0022727 k( 359) = ( 0.3018868 -0.0000000 0.0000000), wk = 0.0022727 k( 360) = ( 0.3113207 -0.0000000 -0.0000000), wk = 0.0022727 k( 361) = ( 0.3207547 -0.0000000 -0.0000000), wk = 0.0022727 k( 362) = ( 0.3301887 -0.0000000 -0.0000000), wk = 0.0022727 k( 363) = ( 0.3396226 -0.0000000 0.0000000), wk = 0.0022727 k( 364) = ( 0.3490566 -0.0000000 -0.0000000), wk = 0.0022727 k( 365) = ( 0.3584906 -0.0000000 -0.0000000), wk = 0.0022727 k( 366) = ( 0.3679245 -0.0000000 0.0000000), wk = 0.0022727 k( 367) = ( 0.3773585 -0.0000000 -0.0000000), wk = 0.0022727 k( 368) = ( 0.3867925 -0.0000000 0.0000000), wk = 0.0022727 k( 369) = ( 0.3962264 -0.0000000 -0.0000000), wk = 0.0022727 k( 370) = ( 0.4056604 -0.0000000 0.0000000), wk = 0.0022727 k( 371) = ( 0.4150943 -0.0000000 0.0000000), wk = 0.0022727 k( 372) = ( 0.4245283 -0.0000000 -0.0000000), wk = 0.0022727 k( 373) = ( 0.4339623 -0.0000000 -0.0000000), wk = 0.0022727 k( 374) = ( 0.4433962 -0.0000000 -0.0000000), wk = 0.0022727 k( 375) = ( 0.4528302 -0.0000000 -0.0000000), wk = 0.0022727 k( 376) = ( 0.4622641 -0.0000000 0.0000000), wk = 0.0022727 k( 377) = ( 0.4716981 -0.0000000 -0.0000000), wk = 0.0022727 k( 378) = ( 0.4811321 -0.0000000 -0.0000000), wk = 0.0022727 k( 379) = ( 0.4905660 -0.0000000 -0.0000000), wk = 0.0022727 k( 380) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 381) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022727 k( 382) = ( 0.4915254 -0.0000000 0.4915254), wk = 0.0022727 k( 383) = ( 0.4830508 -0.0000000 0.4830508), wk = 0.0022727 k( 384) = ( 0.4745763 -0.0000000 0.4745763), wk = 0.0022727 k( 385) = ( 0.4661017 -0.0000000 0.4661017), wk = 0.0022727 k( 386) = ( 0.4576271 -0.0000000 0.4576271), wk = 0.0022727 k( 387) = ( 0.4491525 -0.0000000 0.4491525), wk = 0.0022727 k( 388) = ( 0.4406780 -0.0000000 0.4406780), wk = 0.0022727 k( 389) = ( 0.4322034 -0.0000000 0.4322034), wk = 0.0022727 k( 390) = ( 0.4237288 -0.0000000 0.4237288), wk = 0.0022727 k( 391) = ( 0.4152542 -0.0000000 0.4152542), wk = 0.0022727 k( 392) = ( 0.4067797 -0.0000000 0.4067797), wk = 0.0022727 k( 393) = ( 0.3983051 -0.0000000 0.3983051), wk = 0.0022727 k( 394) = ( 0.3898305 -0.0000000 0.3898305), wk = 0.0022727 k( 395) = ( 0.3813559 -0.0000000 0.3813559), wk = 0.0022727 k( 396) = ( 0.3728814 -0.0000000 0.3728814), wk = 0.0022727 k( 397) = ( 0.3644068 -0.0000000 0.3644068), wk = 0.0022727 k( 398) = ( 0.3559322 -0.0000000 0.3559322), wk = 0.0022727 k( 399) = ( 0.3474576 -0.0000000 0.3474576), wk = 0.0022727 k( 400) = ( 0.3389831 -0.0000000 0.3389831), wk = 0.0022727 k( 401) = ( 0.3305085 -0.0000000 0.3305085), wk = 0.0022727 k( 402) = ( 0.3220339 -0.0000000 0.3220339), wk = 0.0022727 k( 403) = ( 0.3135593 -0.0000000 0.3135593), wk = 0.0022727 k( 404) = ( 0.3050848 -0.0000000 0.3050848), wk = 0.0022727 k( 405) = ( 0.2966102 0.0000000 0.2966102), wk = 0.0022727 k( 406) = ( 0.2881356 -0.0000000 0.2881356), wk = 0.0022727 k( 407) = ( 0.2796610 -0.0000000 0.2796610), wk = 0.0022727 k( 408) = ( 0.2711864 -0.0000000 0.2711864), wk = 0.0022727 k( 409) = ( 0.2627119 -0.0000000 0.2627119), wk = 0.0022727 k( 410) = ( 0.2542373 -0.0000000 0.2542373), wk = 0.0022727 k( 411) = ( 0.2457627 -0.0000000 0.2457627), wk = 0.0022727 k( 412) = ( 0.2372881 -0.0000000 0.2372881), wk = 0.0022727 k( 413) = ( 0.2288136 -0.0000000 0.2288136), wk = 0.0022727 k( 414) = ( 0.2203390 -0.0000000 0.2203390), wk = 0.0022727 k( 415) = ( 0.2118644 -0.0000000 0.2118644), wk = 0.0022727 k( 416) = ( 0.2033898 -0.0000000 0.2033898), wk = 0.0022727 k( 417) = ( 0.1949153 -0.0000000 0.1949153), wk = 0.0022727 k( 418) = ( 0.1864407 -0.0000000 0.1864407), wk = 0.0022727 k( 419) = ( 0.1779661 -0.0000000 0.1779661), wk = 0.0022727 k( 420) = ( 0.1694915 -0.0000000 0.1694915), wk = 0.0022727 k( 421) = ( 0.1610169 -0.0000000 0.1610169), wk = 0.0022727 k( 422) = ( 0.1525424 -0.0000000 0.1525424), wk = 0.0022727 k( 423) = ( 0.1440678 -0.0000000 0.1440678), wk = 0.0022727 k( 424) = ( 0.1355932 -0.0000000 0.1355932), wk = 0.0022727 k( 425) = ( 0.1271186 -0.0000000 0.1271186), wk = 0.0022727 k( 426) = ( 0.1186441 -0.0000000 0.1186441), wk = 0.0022727 k( 427) = ( 0.1101695 -0.0000000 0.1101695), wk = 0.0022727 k( 428) = ( 0.1016949 -0.0000000 0.1016949), wk = 0.0022727 k( 429) = ( 0.0932203 -0.0000000 0.0932203), wk = 0.0022727 k( 430) = ( 0.0847458 -0.0000000 0.0847458), wk = 0.0022727 k( 431) = ( 0.0762712 -0.0000000 0.0762712), wk = 0.0022727 k( 432) = ( 0.0677966 -0.0000000 0.0677966), wk = 0.0022727 k( 433) = ( 0.0593220 -0.0000000 0.0593220), wk = 0.0022727 k( 434) = ( 0.0508475 -0.0000000 0.0508475), wk = 0.0022727 k( 435) = ( 0.0423729 -0.0000000 0.0423729), wk = 0.0022727 k( 436) = ( 0.0338983 -0.0000000 0.0338983), wk = 0.0022727 k( 437) = ( 0.0254237 -0.0000000 0.0254237), wk = 0.0022727 k( 438) = ( 0.0169491 -0.0000000 0.0169491), wk = 0.0022727 k( 439) = ( 0.0084746 -0.0000000 0.0084746), wk = 0.0022727 k( 440) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 Dense grid: 110667 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 17655 G-vectors FFT dimensions: ( 30, 30, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 142, 44) NL pseudopotentials 0.10 Mb ( 71, 96) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3074) G-vector shells 0.02 Mb ( 2927) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 142, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./CdHgO2.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 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.8 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.0 secs Computing kpt #: 24 total cpu time spent up to now is 14.4 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.2 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 16.0 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.5 secs Computing kpt #: 33 total cpu time spent up to now is 17.8 secs Computing kpt #: 34 total cpu time spent up to now is 18.2 secs Computing kpt #: 35 total cpu time spent up to now is 18.6 secs Computing kpt #: 36 total cpu time spent up to now is 19.0 secs Computing kpt #: 37 total cpu time spent up to now is 19.3 secs Computing kpt #: 38 total cpu time spent up to now is 19.7 secs Computing kpt #: 39 total cpu time spent up to now is 20.1 secs Computing kpt #: 40 total cpu time spent up to now is 20.5 secs Computing kpt #: 41 total cpu time spent up to now is 20.9 secs Computing kpt #: 42 total cpu time spent up to now is 21.4 secs Computing kpt #: 43 total cpu time spent up to now is 21.8 secs Computing kpt #: 44 total cpu time spent up to now is 22.2 secs Computing kpt #: 45 total cpu time spent up to now is 22.6 secs Computing kpt #: 46 total cpu time spent up to now is 23.0 secs Computing kpt #: 47 total cpu time spent up to now is 23.5 secs Computing kpt #: 48 total cpu time spent up to now is 23.9 secs Computing kpt #: 49 total cpu time spent up to now is 24.3 secs Computing kpt #: 50 total cpu time spent up to now is 24.7 secs Computing kpt #: 51 total cpu time spent up to now is 25.1 secs Computing kpt #: 52 total cpu time spent up to now is 25.5 secs Computing kpt #: 53 total cpu time spent up to now is 26.0 secs Computing kpt #: 54 total cpu time spent up to now is 26.4 secs Computing kpt #: 55 total cpu time spent up to now is 26.8 secs Computing kpt #: 56 total cpu time spent up to now is 27.2 secs Computing kpt #: 57 total cpu time spent up to now is 27.6 secs Computing kpt #: 58 total cpu time spent up to now is 28.1 secs Computing kpt #: 59 total cpu time spent up to now is 28.5 secs Computing kpt #: 60 total cpu time spent up to now is 28.9 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.8 secs Computing kpt #: 63 total cpu time spent up to now is 30.2 secs Computing kpt #: 64 total cpu time spent up to now is 30.7 secs Computing kpt #: 65 total cpu time spent up to now is 31.1 secs Computing kpt #: 66 total cpu time spent up to now is 31.5 secs Computing kpt #: 67 total cpu time spent up to now is 32.0 secs Computing kpt #: 68 total cpu time spent up to now is 32.4 secs Computing kpt #: 69 total cpu time spent up to now is 32.8 secs Computing kpt #: 70 total cpu time spent up to now is 33.2 secs Computing kpt #: 71 total cpu time spent up to now is 33.6 secs Computing kpt #: 72 total cpu time spent up to now is 34.1 secs Computing kpt #: 73 total cpu time spent up to now is 34.5 secs Computing kpt #: 74 total cpu time spent up to now is 34.9 secs Computing kpt #: 75 total cpu time spent up to now is 35.3 secs Computing kpt #: 76 total cpu time spent up to now is 35.7 secs Computing kpt #: 77 total cpu time spent up to now is 36.1 secs Computing kpt #: 78 total cpu time spent up to now is 36.5 secs Computing kpt #: 79 total cpu time spent up to now is 36.9 secs Computing kpt #: 80 total cpu time spent up to now is 37.3 secs Computing kpt #: 81 total cpu time spent up to now is 37.7 secs Computing kpt #: 82 total cpu time spent up to now is 38.0 secs Computing kpt #: 83 total cpu time spent up to now is 38.4 secs Computing kpt #: 84 total cpu time spent up to now is 38.7 secs Computing kpt #: 85 total cpu time spent up to now is 39.0 secs Computing kpt #: 86 total cpu time spent up to now is 39.4 secs Computing kpt #: 87 total cpu time spent up to now is 39.8 secs Computing kpt #: 88 total cpu time spent up to now is 40.2 secs Computing kpt #: 89 total cpu time spent up to now is 40.6 secs Computing kpt #: 90 total cpu time spent up to now is 41.1 secs Computing kpt #: 91 total cpu time spent up to now is 41.5 secs Computing kpt #: 92 total cpu time spent up to now is 42.0 secs Computing kpt #: 93 total cpu time spent up to now is 42.5 secs Computing kpt #: 94 total cpu time spent up to now is 43.0 secs Computing kpt #: 95 total cpu time spent up to now is 43.4 secs Computing kpt #: 96 total cpu time spent up to now is 43.9 secs Computing kpt #: 97 total cpu time spent up to now is 44.3 secs Computing kpt #: 98 total cpu time spent up to now is 44.8 secs Computing kpt #: 99 total cpu time spent up to now is 45.3 secs Computing kpt #: 100 total cpu time spent up to now is 45.7 secs Computing kpt #: 101 total cpu time spent up to now is 46.2 secs Computing kpt #: 102 total cpu time spent up to now is 46.6 secs Computing kpt #: 103 total cpu time spent up to now is 47.0 secs Computing kpt #: 104 total cpu time spent up to now is 47.4 secs Computing kpt #: 105 total cpu time spent up to now is 47.8 secs Computing kpt #: 106 total cpu time spent up to now is 48.2 secs Computing kpt #: 107 total cpu time spent up to now is 48.5 secs Computing kpt #: 108 total cpu time spent up to now is 48.9 secs Computing kpt #: 109 total cpu time spent up to now is 49.3 secs Computing kpt #: 110 total cpu time spent up to now is 49.6 secs Computing kpt #: 111 total cpu time spent up to now is 50.0 secs Computing kpt #: 112 total cpu time spent up to now is 50.4 secs Computing kpt #: 113 total cpu time spent up to now is 50.8 secs Computing kpt #: 114 total cpu time spent up to now is 51.1 secs Computing kpt #: 115 total cpu time spent up to now is 51.5 secs Computing kpt #: 116 total cpu time spent up to now is 51.9 secs Computing kpt #: 117 total cpu time spent up to now is 52.2 secs Computing kpt #: 118 total cpu time spent up to now is 52.6 secs Computing kpt #: 119 total cpu time spent up to now is 53.0 secs Computing kpt #: 120 total cpu time spent up to now is 53.4 secs Computing kpt #: 121 total cpu time spent up to now is 53.7 secs Computing kpt #: 122 total cpu time spent up to now is 54.1 secs Computing kpt #: 123 total cpu time spent up to now is 54.5 secs Computing kpt #: 124 total cpu time spent up to now is 54.9 secs Computing kpt #: 125 total cpu time spent up to now is 55.2 secs Computing kpt #: 126 total cpu time spent up to now is 55.6 secs Computing kpt #: 127 total cpu time spent up to now is 56.0 secs Computing kpt #: 128 total cpu time spent up to now is 56.4 secs Computing kpt #: 129 total cpu time spent up to now is 56.8 secs Computing kpt #: 130 total cpu time spent up to now is 57.2 secs Computing kpt #: 131 total cpu time spent up to now is 57.6 secs Computing kpt #: 132 total cpu time spent up to now is 58.0 secs Computing kpt #: 133 total cpu time spent up to now is 58.5 secs Computing kpt #: 134 total cpu time spent up to now is 58.9 secs Computing kpt #: 135 total cpu time spent up to now is 59.3 secs Computing kpt #: 136 total cpu time spent up to now is 59.7 secs Computing kpt #: 137 total cpu time spent up to now is 60.1 secs Computing kpt #: 138 total cpu time spent up to now is 60.5 secs Computing kpt #: 139 total cpu time spent up to now is 60.9 secs Computing kpt #: 140 total cpu time spent up to now is 61.4 secs Computing kpt #: 141 total cpu time spent up to now is 61.8 secs Computing kpt #: 142 total cpu time spent up to now is 62.2 secs Computing kpt #: 143 total cpu time spent up to now is 62.6 secs Computing kpt #: 144 total cpu time spent up to now is 63.0 secs Computing kpt #: 145 total cpu time spent up to now is 63.4 secs Computing kpt #: 146 total cpu time spent up to now is 63.8 secs Computing kpt #: 147 total cpu time spent up to now is 64.2 secs Computing kpt #: 148 total cpu time spent up to now is 64.6 secs Computing kpt #: 149 total cpu time spent up to now is 65.0 secs Computing kpt #: 150 total cpu time spent up to now is 65.4 secs Computing kpt #: 151 total cpu time spent up to now is 65.9 secs Computing kpt #: 152 total cpu time spent up to now is 66.3 secs Computing kpt #: 153 total cpu time spent up to now is 66.7 secs Computing kpt #: 154 total cpu time spent up to now is 67.1 secs Computing kpt #: 155 total cpu time spent up to now is 67.5 secs Computing kpt #: 156 total cpu time spent up to now is 67.9 secs Computing kpt #: 157 total cpu time spent up to now is 68.3 secs Computing kpt #: 158 total cpu time spent up to now is 68.7 secs Computing kpt #: 159 total cpu time spent up to now is 69.1 secs Computing kpt #: 160 total cpu time spent up to now is 69.6 secs Computing kpt #: 161 total cpu time spent up to now is 70.0 secs Computing kpt #: 162 total cpu time spent up to now is 70.3 secs Computing kpt #: 163 total cpu time spent up to now is 70.7 secs Computing kpt #: 164 total cpu time spent up to now is 71.1 secs Computing kpt #: 165 total cpu time spent up to now is 71.5 secs Computing kpt #: 166 total cpu time spent up to now is 71.8 secs Computing kpt #: 167 total cpu time spent up to now is 72.3 secs Computing kpt #: 168 total cpu time spent up to now is 72.8 secs Computing kpt #: 169 total cpu time spent up to now is 73.3 secs Computing kpt #: 170 total cpu time spent up to now is 73.8 secs Computing kpt #: 171 total cpu time spent up to now is 74.2 secs Computing kpt #: 172 total cpu time spent up to now is 74.5 secs Computing kpt #: 173 total cpu time spent up to now is 74.8 secs Computing kpt #: 174 total cpu time spent up to now is 75.2 secs Computing kpt #: 175 total cpu time spent up to now is 75.5 secs Computing kpt #: 176 total cpu time spent up to now is 75.8 secs Computing kpt #: 177 total cpu time spent up to now is 76.1 secs Computing kpt #: 178 total cpu time spent up to now is 76.4 secs Computing kpt #: 179 total cpu time spent up to now is 76.7 secs Computing kpt #: 180 total cpu time spent up to now is 77.0 secs Computing kpt #: 181 total cpu time spent up to now is 77.3 secs Computing kpt #: 182 total cpu time spent up to now is 77.6 secs Computing kpt #: 183 total cpu time spent up to now is 78.0 secs Computing kpt #: 184 total cpu time spent up to now is 78.3 secs Computing kpt #: 185 total cpu time spent up to now is 78.6 secs Computing kpt #: 186 total cpu time spent up to now is 79.0 secs Computing kpt #: 187 total cpu time spent up to now is 79.3 secs Computing kpt #: 188 total cpu time spent up to now is 79.6 secs Computing kpt #: 189 total cpu time spent up to now is 79.9 secs Computing kpt #: 190 total cpu time spent up to now is 80.3 secs Computing kpt #: 191 total cpu time spent up to now is 80.6 secs Computing kpt #: 192 total cpu time spent up to now is 80.9 secs Computing kpt #: 193 total cpu time spent up to now is 81.3 secs Computing kpt #: 194 total cpu time spent up to now is 81.6 secs Computing kpt #: 195 total cpu time spent up to now is 82.0 secs Computing kpt #: 196 total cpu time spent up to now is 82.3 secs Computing kpt #: 197 total cpu time spent up to now is 82.6 secs Computing kpt #: 198 total cpu time spent up to now is 82.9 secs Computing kpt #: 199 total cpu time spent up to now is 83.3 secs Computing kpt #: 200 total cpu time spent up to now is 83.6 secs Computing kpt #: 201 total cpu time spent up to now is 84.0 secs Computing kpt #: 202 total cpu time spent up to now is 84.4 secs Computing kpt #: 203 total cpu time spent up to now is 84.8 secs Computing kpt #: 204 total cpu time spent up to now is 85.1 secs Computing kpt #: 205 total cpu time spent up to now is 85.6 secs Computing kpt #: 206 total cpu time spent up to now is 86.0 secs Computing kpt #: 207 total cpu time spent up to now is 86.4 secs Computing kpt #: 208 total cpu time spent up to now is 86.9 secs Computing kpt #: 209 total cpu time spent up to now is 87.4 secs Computing kpt #: 210 total cpu time spent up to now is 87.9 secs Computing kpt #: 211 total cpu time spent up to now is 88.3 secs Computing kpt #: 212 total cpu time spent up to now is 88.8 secs Computing kpt #: 213 total cpu time spent up to now is 89.3 secs Computing kpt #: 214 total cpu time spent up to now is 89.8 secs Computing kpt #: 215 total cpu time spent up to now is 90.3 secs Computing kpt #: 216 total cpu time spent up to now is 90.7 secs Computing kpt #: 217 total cpu time spent up to now is 91.1 secs Computing kpt #: 218 total cpu time spent up to now is 91.6 secs Computing kpt #: 219 total cpu time spent up to now is 92.0 secs Computing kpt #: 220 total cpu time spent up to now is 92.4 secs Computing kpt #: 221 total cpu time spent up to now is 92.9 secs Computing kpt #: 222 total cpu time spent up to now is 93.3 secs Computing kpt #: 223 total cpu time spent up to now is 93.7 secs Computing kpt #: 224 total cpu time spent up to now is 94.1 secs Computing kpt #: 225 total cpu time spent up to now is 94.5 secs Computing kpt #: 226 total cpu time spent up to now is 94.9 secs Computing kpt #: 227 total cpu time spent up to now is 95.3 secs Computing kpt #: 228 total cpu time spent up to now is 95.7 secs Computing kpt #: 229 total cpu time spent up to now is 96.1 secs Computing kpt #: 230 total cpu time spent up to now is 96.4 secs Computing kpt #: 231 total cpu time spent up to now is 96.9 secs Computing kpt #: 232 total cpu time spent up to now is 97.3 secs Computing kpt #: 233 total cpu time spent up to now is 97.7 secs Computing kpt #: 234 total cpu time spent up to now is 98.1 secs Computing kpt #: 235 total cpu time spent up to now is 98.5 secs Computing kpt #: 236 total cpu time spent up to now is 98.9 secs Computing kpt #: 237 total cpu time spent up to now is 99.3 secs Computing kpt #: 238 total cpu time spent up to now is 99.7 secs Computing kpt #: 239 total cpu time spent up to now is 100.2 secs Computing kpt #: 240 total cpu time spent up to now is 100.6 secs Computing kpt #: 241 total cpu time spent up to now is 101.0 secs Computing kpt #: 242 total cpu time spent up to now is 101.4 secs Computing kpt #: 243 total cpu time spent up to now is 101.9 secs Computing kpt #: 244 total cpu time spent up to now is 102.3 secs Computing kpt #: 245 total cpu time spent up to now is 102.7 secs Computing kpt #: 246 total cpu time spent up to now is 103.2 secs Computing kpt #: 247 total cpu time spent up to now is 103.7 secs Computing kpt #: 248 total cpu time spent up to now is 104.1 secs Computing kpt #: 249 total cpu time spent up to now is 104.6 secs Computing kpt #: 250 total cpu time spent up to now is 105.0 secs Computing kpt #: 251 total cpu time spent up to now is 105.4 secs Computing kpt #: 252 total cpu time spent up to now is 105.8 secs Computing kpt #: 253 total cpu time spent up to now is 106.5 secs Computing kpt #: 254 total cpu time spent up to now is 106.9 secs Computing kpt #: 255 total cpu time spent up to now is 107.3 secs Computing kpt #: 256 total cpu time spent up to now is 107.6 secs Computing kpt #: 257 total cpu time spent up to now is 108.0 secs Computing kpt #: 258 total cpu time spent up to now is 108.4 secs Computing kpt #: 259 total cpu time spent up to now is 108.7 secs Computing kpt #: 260 total cpu time spent up to now is 109.1 secs Computing kpt #: 261 total cpu time spent up to now is 109.5 secs Computing kpt #: 262 total cpu time spent up to now is 109.8 secs Computing kpt #: 263 total cpu time spent up to now is 110.2 secs Computing kpt #: 264 total cpu time spent up to now is 110.6 secs Computing kpt #: 265 total cpu time spent up to now is 111.0 secs Computing kpt #: 266 total cpu time spent up to now is 111.3 secs Computing kpt #: 267 total cpu time spent up to now is 111.7 secs Computing kpt #: 268 total cpu time spent up to now is 112.1 secs Computing kpt #: 269 total cpu time spent up to now is 112.4 secs Computing kpt #: 270 total cpu time spent up to now is 112.8 secs Computing kpt #: 271 total cpu time spent up to now is 113.2 secs Computing kpt #: 272 total cpu time spent up to now is 113.5 secs Computing kpt #: 273 total cpu time spent up to now is 113.9 secs Computing kpt #: 274 total cpu time spent up to now is 114.2 secs Computing kpt #: 275 total cpu time spent up to now is 114.6 secs Computing kpt #: 276 total cpu time spent up to now is 115.0 secs Computing kpt #: 277 total cpu time spent up to now is 115.3 secs Computing kpt #: 278 total cpu time spent up to now is 115.7 secs Computing kpt #: 279 total cpu time spent up to now is 116.1 secs Computing kpt #: 280 total cpu time spent up to now is 116.5 secs Computing kpt #: 281 total cpu time spent up to now is 116.9 secs Computing kpt #: 282 total cpu time spent up to now is 117.2 secs Computing kpt #: 283 total cpu time spent up to now is 117.6 secs Computing kpt #: 284 total cpu time spent up to now is 118.0 secs Computing kpt #: 285 total cpu time spent up to now is 118.4 secs Computing kpt #: 286 total cpu time spent up to now is 118.8 secs Computing kpt #: 287 total cpu time spent up to now is 119.2 secs Computing kpt #: 288 total cpu time spent up to now is 119.5 secs Computing kpt #: 289 total cpu time spent up to now is 119.9 secs Computing kpt #: 290 total cpu time spent up to now is 120.2 secs Computing kpt #: 291 total cpu time spent up to now is 120.6 secs Computing kpt #: 292 total cpu time spent up to now is 120.9 secs Computing kpt #: 293 total cpu time spent up to now is 121.3 secs Computing kpt #: 294 total cpu time spent up to now is 121.6 secs Computing kpt #: 295 total cpu time spent up to now is 121.9 secs Computing kpt #: 296 total cpu time spent up to now is 122.2 secs Computing kpt #: 297 total cpu time spent up to now is 122.6 secs Computing kpt #: 298 total cpu time spent up to now is 122.9 secs Computing kpt #: 299 total cpu time spent up to now is 123.3 secs Computing kpt #: 300 total cpu time spent up to now is 123.6 secs Computing kpt #: 301 total cpu time spent up to now is 123.9 secs Computing kpt #: 302 total cpu time spent up to now is 124.2 secs Computing kpt #: 303 total cpu time spent up to now is 124.6 secs Computing kpt #: 304 total cpu time spent up to now is 124.9 secs Computing kpt #: 305 total cpu time spent up to now is 125.2 secs Computing kpt #: 306 total cpu time spent up to now is 125.6 secs Computing kpt #: 307 total cpu time spent up to now is 125.9 secs Computing kpt #: 308 total cpu time spent up to now is 126.3 secs Computing kpt #: 309 total cpu time spent up to now is 126.6 secs Computing kpt #: 310 total cpu time spent up to now is 127.0 secs Computing kpt #: 311 total cpu time spent up to now is 127.3 secs Computing kpt #: 312 total cpu time spent up to now is 127.7 secs Computing kpt #: 313 total cpu time spent up to now is 128.0 secs Computing kpt #: 314 total cpu time spent up to now is 128.4 secs Computing kpt #: 315 total cpu time spent up to now is 128.7 secs Computing kpt #: 316 total cpu time spent up to now is 129.1 secs Computing kpt #: 317 total cpu time spent up to now is 129.5 secs Computing kpt #: 318 total cpu time spent up to now is 129.9 secs Computing kpt #: 319 total cpu time spent up to now is 130.3 secs Computing kpt #: 320 total cpu time spent up to now is 130.7 secs Computing kpt #: 321 total cpu time spent up to now is 131.2 secs Computing kpt #: 322 total cpu time spent up to now is 131.6 secs Computing kpt #: 323 total cpu time spent up to now is 132.0 secs Computing kpt #: 324 total cpu time spent up to now is 132.5 secs Computing kpt #: 325 total cpu time spent up to now is 132.9 secs Computing kpt #: 326 total cpu time spent up to now is 133.3 secs Computing kpt #: 327 total cpu time spent up to now is 133.7 secs Computing kpt #: 328 total cpu time spent up to now is 134.2 secs Computing kpt #: 329 total cpu time spent up to now is 134.6 secs Computing kpt #: 330 total cpu time spent up to now is 135.0 secs Computing kpt #: 331 total cpu time spent up to now is 135.4 secs Computing kpt #: 332 total cpu time spent up to now is 135.9 secs Computing kpt #: 333 total cpu time spent up to now is 136.3 secs Computing kpt #: 334 total cpu time spent up to now is 136.8 secs Computing kpt #: 335 total cpu time spent up to now is 137.2 secs Computing kpt #: 336 total cpu time spent up to now is 137.5 secs Computing kpt #: 337 total cpu time spent up to now is 137.9 secs Computing kpt #: 338 total cpu time spent up to now is 138.3 secs Computing kpt #: 339 total cpu time spent up to now is 138.7 secs Computing kpt #: 340 total cpu time spent up to now is 139.1 secs Computing kpt #: 341 total cpu time spent up to now is 139.5 secs Computing kpt #: 342 total cpu time spent up to now is 139.8 secs Computing kpt #: 343 total cpu time spent up to now is 140.2 secs Computing kpt #: 344 total cpu time spent up to now is 140.5 secs Computing kpt #: 345 total cpu time spent up to now is 140.9 secs Computing kpt #: 346 total cpu time spent up to now is 141.4 secs Computing kpt #: 347 total cpu time spent up to now is 141.8 secs Computing kpt #: 348 total cpu time spent up to now is 142.1 secs Computing kpt #: 349 total cpu time spent up to now is 142.5 secs Computing kpt #: 350 total cpu time spent up to now is 142.9 secs Computing kpt #: 351 total cpu time spent up to now is 143.2 secs Computing kpt #: 352 total cpu time spent up to now is 143.6 secs Computing kpt #: 353 total cpu time spent up to now is 144.0 secs Computing kpt #: 354 total cpu time spent up to now is 144.3 secs Computing kpt #: 355 total cpu time spent up to now is 144.7 secs Computing kpt #: 356 total cpu time spent up to now is 145.1 secs Computing kpt #: 357 total cpu time spent up to now is 145.5 secs Computing kpt #: 358 total cpu time spent up to now is 145.8 secs Computing kpt #: 359 total cpu time spent up to now is 146.2 secs Computing kpt #: 360 total cpu time spent up to now is 146.6 secs Computing kpt #: 361 total cpu time spent up to now is 146.9 secs Computing kpt #: 362 total cpu time spent up to now is 147.3 secs Computing kpt #: 363 total cpu time spent up to now is 147.7 secs Computing kpt #: 364 total cpu time spent up to now is 148.0 secs Computing kpt #: 365 total cpu time spent up to now is 148.4 secs Computing kpt #: 366 total cpu time spent up to now is 148.8 secs Computing kpt #: 367 total cpu time spent up to now is 149.1 secs Computing kpt #: 368 total cpu time spent up to now is 149.5 secs Computing kpt #: 369 total cpu time spent up to now is 149.9 secs Computing kpt #: 370 total cpu time spent up to now is 150.3 secs Computing kpt #: 371 total cpu time spent up to now is 150.6 secs Computing kpt #: 372 total cpu time spent up to now is 151.0 secs Computing kpt #: 373 total cpu time spent up to now is 151.4 secs Computing kpt #: 374 total cpu time spent up to now is 151.9 secs Computing kpt #: 375 total cpu time spent up to now is 152.4 secs Computing kpt #: 376 total cpu time spent up to now is 152.9 secs Computing kpt #: 377 total cpu time spent up to now is 153.5 secs Computing kpt #: 378 total cpu time spent up to now is 154.0 secs Computing kpt #: 379 total cpu time spent up to now is 154.7 secs Computing kpt #: 380 total cpu time spent up to now is 155.5 secs Computing kpt #: 381 total cpu time spent up to now is 155.8 secs Computing kpt #: 382 total cpu time spent up to now is 156.2 secs Computing kpt #: 383 total cpu time spent up to now is 156.6 secs Computing kpt #: 384 total cpu time spent up to now is 157.0 secs Computing kpt #: 385 total cpu time spent up to now is 157.3 secs Computing kpt #: 386 total cpu time spent up to now is 157.7 secs Computing kpt #: 387 total cpu time spent up to now is 158.1 secs Computing kpt #: 388 total cpu time spent up to now is 158.5 secs Computing kpt #: 389 total cpu time spent up to now is 158.9 secs Computing kpt #: 390 total cpu time spent up to now is 159.3 secs Computing kpt #: 391 total cpu time spent up to now is 159.7 secs Computing kpt #: 392 total cpu time spent up to now is 160.1 secs Computing kpt #: 393 total cpu time spent up to now is 160.4 secs Computing kpt #: 394 total cpu time spent up to now is 160.9 secs Computing kpt #: 395 total cpu time spent up to now is 161.3 secs Computing kpt #: 396 total cpu time spent up to now is 161.7 secs Computing kpt #: 397 total cpu time spent up to now is 162.1 secs Computing kpt #: 398 total cpu time spent up to now is 162.5 secs Computing kpt #: 399 total cpu time spent up to now is 162.9 secs Computing kpt #: 400 total cpu time spent up to now is 163.4 secs Computing kpt #: 401 total cpu time spent up to now is 163.8 secs Computing kpt #: 402 total cpu time spent up to now is 164.2 secs Computing kpt #: 403 total cpu time spent up to now is 164.6 secs Computing kpt #: 404 total cpu time spent up to now is 165.0 secs Computing kpt #: 405 total cpu time spent up to now is 165.5 secs Computing kpt #: 406 total cpu time spent up to now is 165.9 secs Computing kpt #: 407 total cpu time spent up to now is 166.3 secs Computing kpt #: 408 total cpu time spent up to now is 166.7 secs Computing kpt #: 409 total cpu time spent up to now is 167.1 secs Computing kpt #: 410 total cpu time spent up to now is 167.5 secs Computing kpt #: 411 total cpu time spent up to now is 167.9 secs Computing kpt #: 412 total cpu time spent up to now is 168.2 secs Computing kpt #: 413 total cpu time spent up to now is 168.7 secs Computing kpt #: 414 total cpu time spent up to now is 169.0 secs Computing kpt #: 415 total cpu time spent up to now is 169.4 secs Computing kpt #: 416 total cpu time spent up to now is 169.8 secs Computing kpt #: 417 total cpu time spent up to now is 170.2 secs Computing kpt #: 418 total cpu time spent up to now is 170.6 secs Computing kpt #: 419 total cpu time spent up to now is 171.0 secs Computing kpt #: 420 total cpu time spent up to now is 171.4 secs Computing kpt #: 421 total cpu time spent up to now is 171.8 secs Computing kpt #: 422 total cpu time spent up to now is 172.2 secs Computing kpt #: 423 total cpu time spent up to now is 172.6 secs Computing kpt #: 424 total cpu time spent up to now is 173.0 secs Computing kpt #: 425 total cpu time spent up to now is 173.4 secs Computing kpt #: 426 total cpu time spent up to now is 173.7 secs Computing kpt #: 427 total cpu time spent up to now is 174.1 secs Computing kpt #: 428 total cpu time spent up to now is 174.5 secs Computing kpt #: 429 total cpu time spent up to now is 174.9 secs Computing kpt #: 430 total cpu time spent up to now is 175.3 secs Computing kpt #: 431 total cpu time spent up to now is 175.7 secs Computing kpt #: 432 total cpu time spent up to now is 176.1 secs Computing kpt #: 433 total cpu time spent up to now is 176.5 secs Computing kpt #: 434 total cpu time spent up to now is 176.9 secs Computing kpt #: 435 total cpu time spent up to now is 177.3 secs Computing kpt #: 436 total cpu time spent up to now is 177.8 secs Computing kpt #: 437 total cpu time spent up to now is 178.2 secs Computing kpt #: 438 total cpu time spent up to now is 178.6 secs Computing kpt #: 439 total cpu time spent up to now is 179.1 secs Computing kpt #: 440 total cpu time spent up to now is 179.5 secs ethr = 2.78E-08, avg # of iterations = 22.9 total cpu time spent up to now is 179.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): -8.8410 -8.8410 -7.9030 -7.9030 0.8403 0.8403 1.5596 1.5596 1.7656 1.7656 1.9667 1.9667 2.0861 2.0861 2.7239 2.7239 2.8359 2.8359 3.1067 3.1067 3.4950 3.4950 3.8771 3.8771 4.6959 4.6959 6.5345 6.5345 7.4548 7.4548 7.5664 7.5664 8.1887 8.1887 8.8804 8.8804 9.7200 9.7200 13.2167 13.2167 15.1480 15.1480 20.1936 20.1936 k = 0.0094 0.0055-0.0002 ( 2187 PWs) bands (ev): -8.8406 -8.8406 -7.9031 -7.9031 0.8410 0.8410 1.5601 1.5601 1.7660 1.7660 1.9668 1.9668 2.0860 2.0860 2.7238 2.7238 2.8357 2.8357 3.1066 3.1066 3.4952 3.4952 3.8770 3.8770 4.6956 4.6956 6.5332 6.5332 7.4544 7.4544 7.5619 7.5619 8.1935 8.1935 8.8801 8.8801 9.7207 9.7207 13.2206 13.2206 15.1472 15.1472 20.1928 20.1928 k = 0.0189 0.0110-0.0005 ( 2189 PWs) bands (ev): -8.8394 -8.8394 -7.9033 -7.9033 0.8433 0.8433 1.5614 1.5614 1.7673 1.7673 1.9671 1.9671 2.0856 2.0856 2.7237 2.7237 2.8350 2.8350 3.1063 3.1063 3.4957 3.4957 3.8766 3.8766 4.6945 4.6945 6.5293 6.5293 7.4529 7.4529 7.5491 7.5491 8.2069 8.2069 8.8792 8.8792 9.7229 9.7229 13.2324 13.2324 15.1448 15.1448 20.1903 20.1903 k = 0.0283 0.0165-0.0007 ( 2192 PWs) bands (ev): -8.8374 -8.8374 -7.9037 -7.9037 0.8472 0.8472 1.5636 1.5636 1.7694 1.7694 1.9675 1.9675 2.0851 2.0851 2.7235 2.7235 2.8338 2.8338 3.1058 3.1058 3.4965 3.4965 3.8761 3.8761 4.6928 4.6928 6.5228 6.5228 7.4502 7.4502 7.5302 7.5302 8.2268 8.2268 8.8778 8.8778 9.7270 9.7270 13.2520 13.2520 15.1408 15.1408 20.1858 20.1858 k = 0.0377 0.0220-0.0010 ( 2188 PWs) bands (ev): -8.8346 -8.8346 -7.9042 -7.9042 0.8526 0.8526 1.5667 1.5667 1.7724 1.7724 1.9681 1.9681 2.0844 2.0844 2.7232 2.7232 2.8322 2.8322 3.1052 3.1052 3.4976 3.4976 3.8754 3.8754 4.6905 4.6905 6.5134 6.5134 7.4460 7.4460 7.5080 7.5080 8.2502 8.2502 8.8758 8.8758 9.7339 9.7339 13.2791 13.2791 15.1353 15.1353 20.1787 20.1787 k = 0.0472 0.0274-0.0012 ( 2193 PWs) bands (ev): -8.8310 -8.8310 -7.9049 -7.9049 0.8594 0.8594 1.5706 1.5706 1.7762 1.7762 1.9689 1.9689 2.0835 2.0835 2.7229 2.7229 2.8300 2.8300 3.1044 3.1044 3.4991 3.4991 3.8745 3.8745 4.6875 4.6875 6.5011 6.5011 7.4390 7.4390 7.4860 7.4860 8.2742 8.2742 8.8734 8.8734 9.7443 9.7443 13.3134 13.3134 15.1283 15.1283 20.1681 20.1681 k = 0.0566 0.0329-0.0014 ( 2192 PWs) bands (ev): -8.8266 -8.8266 -7.9056 -7.9056 0.8676 0.8676 1.5752 1.5752 1.7808 1.7808 1.9699 1.9699 2.0825 2.0825 2.7226 2.7226 2.8274 2.8274 3.1035 3.1035 3.5009 3.5009 3.8735 3.8735 4.6840 4.6840 6.4856 6.4856 7.4276 7.4276 7.4679 7.4679 8.2960 8.2960 8.8706 8.8706 9.7594 9.7594 13.3547 13.3547 15.1198 15.1198 20.1527 20.1527 k = 0.0660 0.0384-0.0017 ( 2190 PWs) bands (ev): -8.8215 -8.8215 -7.9066 -7.9066 0.8772 0.8772 1.5804 1.5804 1.7862 1.7862 1.9710 1.9710 2.0815 2.0815 2.7223 2.7223 2.8244 2.8244 3.1025 3.1025 3.5030 3.5030 3.8724 3.8724 4.6801 4.6801 6.4668 6.4668 7.4116 7.4116 7.4554 7.4554 8.3133 8.3133 8.8676 8.8676 9.7802 9.7802 13.4024 13.4024 15.1100 15.1100 20.1303 20.1303 k = 0.0755 0.0439-0.0019 ( 2193 PWs) bands (ev): -8.8157 -8.8157 -7.9076 -7.9076 0.8880 0.8880 1.5861 1.5861 1.7922 1.7922 1.9724 1.9724 2.0804 2.0804 2.7221 2.7221 2.8208 2.8208 3.1015 3.1015 3.5053 3.5053 3.8713 3.8713 4.6758 4.6758 6.4448 6.4448 7.3944 7.3944 7.4463 7.4463 8.3242 8.3242 8.8643 8.8643 9.8076 9.8076 13.4563 13.4563 15.0987 15.0987 20.0975 20.0975 k = 0.0849 0.0494-0.0022 ( 2192 PWs) bands (ev): -8.8091 -8.8091 -7.9087 -7.9087 0.8999 0.8999 1.5924 1.5924 1.7990 1.7990 1.9740 1.9740 2.0794 2.0794 2.7220 2.7220 2.8167 2.8167 3.1004 3.1004 3.5079 3.5079 3.8701 3.8701 4.6713 4.6713 6.4197 6.4197 7.3788 7.3788 7.4384 7.4384 8.3273 8.3273 8.8610 8.8610 9.8423 9.8423 13.5157 13.5157 15.0862 15.0862 20.0501 20.0501 k = 0.0943 0.0549-0.0024 ( 2193 PWs) bands (ev): -8.8018 -8.8018 -7.9100 -7.9100 0.9130 0.9130 1.5989 1.5989 1.8064 1.8064 1.9757 1.9757 2.0786 2.0786 2.7221 2.7221 2.8122 2.8122 3.0994 3.0994 3.5107 3.5107 3.8689 3.8689 4.6667 4.6667 6.3918 6.3918 7.3663 7.3663 7.4306 7.4306 8.3221 8.3221 8.8576 8.8576 9.8847 9.8847 13.5804 13.5804 15.0725 15.0725 19.9829 19.9829 k = 0.1038 0.0604-0.0026 ( 2189 PWs) bands (ev): -8.7938 -8.7938 -7.9113 -7.9113 0.9269 0.9269 1.6058 1.6058 1.8143 1.8143 1.9777 1.9777 2.0782 2.0782 2.7224 2.7224 2.8072 2.8072 3.0984 3.0984 3.5137 3.5137 3.8679 3.8679 4.6622 4.6622 6.3614 6.3614 7.3571 7.3571 7.4225 7.4225 8.3081 8.3081 8.8543 8.8543 9.9348 9.9348 13.6498 13.6498 15.0577 15.0577 19.8929 19.8929 k = 0.1132 0.0659-0.0029 ( 2187 PWs) bands (ev): -8.7852 -8.7852 -7.9127 -7.9127 0.9417 0.9417 1.6128 1.6128 1.8226 1.8226 1.9797 1.9797 2.0783 2.0783 2.7230 2.7230 2.8017 2.8017 3.0977 3.0977 3.5169 3.5169 3.8670 3.8670 4.6579 4.6579 6.3290 6.3290 7.3513 7.3513 7.4140 7.4140 8.2857 8.2857 8.8510 8.8510 9.9921 9.9921 13.7234 13.7234 15.0420 15.0420 19.7807 19.7807 k = 0.1226 0.0714-0.0031 ( 2184 PWs) bands (ev): -8.7760 -8.7760 -7.9142 -7.9142 0.9570 0.9570 1.6199 1.6199 1.8311 1.8311 1.9819 1.9819 2.0790 2.0790 2.7240 2.7240 2.7957 2.7957 3.0971 3.0971 3.5202 3.5202 3.8663 3.8663 4.6540 4.6540 6.2949 6.2949 7.3483 7.3483 7.4052 7.4052 8.2554 8.2554 8.8478 8.8478 10.0563 10.0563 13.8008 13.8008 15.0254 15.0254 19.6495 19.6495 k = 0.1321 0.0768-0.0034 ( 2186 PWs) bands (ev): -8.7662 -8.7662 -7.9157 -7.9157 0.9728 0.9728 1.6269 1.6269 1.8398 1.8398 1.9842 1.9842 2.0805 2.0805 2.7253 2.7253 2.7892 2.7892 3.0967 3.0967 3.5235 3.5235 3.8659 3.8659 4.6508 4.6508 6.2599 6.2599 7.3471 7.3471 7.3969 7.3969 8.2180 8.2180 8.8447 8.8447 10.1264 10.1264 13.8816 13.8816 15.0081 15.0081 19.5036 19.5036 k = 0.1415 0.0823-0.0036 ( 2186 PWs) bands (ev): -8.7559 -8.7559 -7.9173 -7.9173 0.9888 0.9888 1.6339 1.6339 1.8485 1.8485 1.9865 1.9865 2.0830 2.0830 2.7270 2.7270 2.7823 2.7823 3.0967 3.0967 3.5269 3.5269 3.8658 3.8658 4.6483 4.6483 6.2242 6.2242 7.3458 7.3458 7.3902 7.3902 8.1743 8.1743 8.8418 8.8418 10.2017 10.2017 13.9652 13.9652 14.9903 14.9903 19.3464 19.3464 k = 0.1509 0.0878-0.0038 ( 2192 PWs) bands (ev): -8.7451 -8.7451 -7.9189 -7.9189 1.0048 1.0048 1.6408 1.6408 1.8571 1.8571 1.9887 1.9887 2.0865 2.0865 2.7291 2.7291 2.7750 2.7750 3.0971 3.0971 3.5301 3.5301 3.8662 3.8662 4.6470 4.6470 6.1884 6.1884 7.3416 7.3416 7.3875 7.3875 8.1251 8.1251 8.8391 8.8391 10.2815 10.2815 14.0511 14.0511 14.9721 14.9721 19.1806 19.1806 k = 0.1604 0.0933-0.0041 ( 2190 PWs) bands (ev): -8.7338 -8.7338 -7.9205 -7.9205 1.0206 1.0206 1.6475 1.6475 1.8655 1.8655 1.9910 1.9910 2.0913 2.0913 2.7319 2.7319 2.7675 2.7675 3.0980 3.0980 3.5333 3.5333 3.8671 3.8671 4.6469 4.6469 6.1528 6.1528 7.3328 7.3328 7.3899 7.3899 8.0715 8.0715 8.8367 8.8367 10.3649 10.3649 14.1388 14.1388 14.9539 14.9539 19.0082 19.0082 k = 0.1698 0.0988-0.0043 ( 2190 PWs) bands (ev): -8.7221 -8.7221 -7.9221 -7.9221 1.0359 1.0359 1.6539 1.6539 1.8735 1.8735 1.9935 1.9935 2.0972 2.0972 2.7352 2.7352 2.7598 2.7598 3.0995 3.0995 3.5363 3.5363 3.8685 3.8685 4.6483 4.6483 6.1176 6.1176 7.3201 7.3201 7.3960 7.3960 8.0143 8.0143 8.8347 8.8347 10.4513 10.4513 14.2277 14.2277 14.9359 14.9359 18.8306 18.8306 k = 0.1792 0.1043-0.0046 ( 2188 PWs) bands (ev): -8.7100 -8.7100 -7.9237 -7.9237 1.0505 1.0505 1.6601 1.6601 1.8811 1.8811 1.9963 1.9963 2.1042 2.1042 2.7390 2.7390 2.7521 2.7521 3.1016 3.1016 3.5391 3.5391 3.8705 3.8705 4.6516 4.6516 6.0832 6.0832 7.3049 7.3049 7.4040 7.4040 7.9545 7.9545 8.8330 8.8330 10.5400 10.5400 14.3171 14.3171 14.9187 14.9187 18.6491 18.6491 k = 0.1887 0.1098-0.0048 ( 2193 PWs) bands (ev): -8.6976 -8.6976 -7.9252 -7.9252 1.0640 1.0640 1.6658 1.6658 1.8881 1.8881 1.9997 1.9997 2.1118 2.1118 2.7429 2.7429 2.7449 2.7449 3.1045 3.1045 3.5417 3.5417 3.8731 3.8731 4.6567 4.6567 6.0496 6.0496 7.2877 7.2877 7.4122 7.4122 7.8931 7.8931 8.8317 8.8317 10.6304 10.6304 14.4058 14.4058 14.9030 14.9030 18.4647 18.4647 k = 0.1981 0.1153-0.0050 ( 2196 PWs) bands (ev): -8.6848 -8.6848 -7.9267 -7.9267 1.0764 1.0764 1.6712 1.6712 1.8944 1.8944 2.0041 2.0041 2.1199 2.1199 2.7369 2.7369 2.7487 2.7487 3.1083 3.1083 3.5441 3.5441 3.8764 3.8764 4.6640 4.6640 6.0170 6.0170 7.2689 7.2689 7.4191 7.4191 7.8316 7.8316 8.8309 8.8309 10.7221 10.7221 14.4921 14.4921 14.8903 14.8903 18.2786 18.2786 k = 0.2075 0.1208-0.0053 ( 2202 PWs) bands (ev): -8.6719 -8.6719 -7.9281 -7.9281 1.0872 1.0872 1.6759 1.6759 1.8997 1.8997 2.0098 2.0098 2.1282 2.1282 2.7301 2.7301 2.7544 2.7544 3.1129 3.1129 3.5461 3.5461 3.8804 3.8804 4.6737 4.6737 5.9855 5.9855 7.2488 7.2488 7.4229 7.4229 7.7719 7.7719 8.8305 8.8305 10.8146 10.8146 14.5727 14.5727 14.8836 14.8836 18.0915 18.0915 k = 0.2170 0.1262-0.0055 ( 2196 PWs) bands (ev): -8.6588 -8.6588 -7.9293 -7.9293 1.0965 1.0965 1.6801 1.6801 1.9042 1.9042 2.0171 2.0171 2.1365 2.1365 2.7242 2.7242 2.7609 2.7609 3.1187 3.1187 3.5480 3.5480 3.8851 3.8851 4.6859 4.6859 5.9550 5.9550 7.2274 7.2274 7.4205 7.4205 7.7171 7.7171 8.8307 8.8307 10.9074 10.9074 14.6411 14.6411 14.8890 14.8890 17.9045 17.9045 k = 0.2264 0.1317-0.0058 ( 2196 PWs) bands (ev): -8.6456 -8.6456 -7.9305 -7.9305 1.1040 1.1040 1.6835 1.6835 1.9076 1.9076 2.0260 2.0260 2.1445 2.1445 2.7191 2.7191 2.7680 2.7680 3.1255 3.1255 3.5495 3.5495 3.8904 3.8904 4.7007 4.7007 5.9256 5.9256 7.2047 7.2047 7.4075 7.4075 7.6717 7.6717 8.8314 8.8314 11.0001 11.0001 14.6869 14.6869 14.9163 14.9163 17.7186 17.7186 k = 0.2358 0.1372-0.0060 ( 2196 PWs) bands (ev): -8.6323 -8.6323 -7.9316 -7.9316 1.1097 1.1097 1.6861 1.6861 1.9100 1.9100 2.0363 2.0363 2.1523 2.1523 2.7153 2.7153 2.7759 2.7759 3.1336 3.1336 3.5509 3.5509 3.8964 3.8964 4.7182 4.7182 5.8971 5.8971 7.1810 7.1810 7.3798 7.3798 7.6402 7.6402 8.8325 8.8325 11.0925 11.0925 14.7062 14.7062 14.9689 14.9689 17.5347 17.5347 k = 0.2453 0.1427-0.0062 ( 2198 PWs) bands (ev): -8.6190 -8.6190 -7.9325 -7.9325 1.1134 1.1134 1.6876 1.6876 1.9113 1.9113 2.0476 2.0476 2.1601 2.1601 2.7128 2.7128 2.7845 2.7845 3.1431 3.1431 3.5520 3.5520 3.9030 3.9030 4.7384 4.7384 5.8694 5.8694 7.1560 7.1560 7.3367 7.3367 7.6232 7.6232 8.8342 8.8342 11.1843 11.1843 14.7077 14.7077 15.0373 15.0373 17.3542 17.3542 k = 0.2547 0.1482-0.0065 ( 2195 PWs) bands (ev): -8.6058 -8.6058 -7.9332 -7.9332 1.1152 1.1152 1.6882 1.6882 1.9118 1.9118 2.0588 2.0588 2.1688 2.1688 2.7118 2.7118 2.7939 2.7939 3.1539 3.1539 3.5530 3.5530 3.9102 3.9102 4.7613 4.7613 5.8425 5.8425 7.1298 7.1298 7.2822 7.2822 7.6172 7.6172 8.8362 8.8362 11.2750 11.2750 14.7005 14.7005 15.1112 15.1112 17.1786 17.1786 k = 0.2642 0.1537-0.0067 ( 2193 PWs) bands (ev): -8.5926 -8.5926 -7.9338 -7.9338 1.1152 1.1152 1.6876 1.6876 1.9115 1.9115 2.0685 2.0685 2.1794 2.1794 2.7121 2.7121 2.8042 2.8042 3.1663 3.1663 3.5540 3.5540 3.9180 3.9180 4.7869 4.7869 5.8162 5.8162 7.1021 7.1021 7.2214 7.2214 7.6177 7.6177 8.8388 8.8388 11.3646 11.3646 14.6894 14.6894 15.1843 15.1843 17.0096 17.0096 k = 0.2736 0.1592-0.0070 ( 2196 PWs) bands (ev): -8.5797 -8.5797 -7.9342 -7.9342 1.1135 1.1135 1.6859 1.6859 1.9105 1.9105 2.0754 2.0754 2.1931 2.1931 2.7137 2.7137 2.8154 2.8154 3.1802 3.1802 3.5548 3.5548 3.9262 3.9262 4.8150 4.8150 5.7904 5.7904 7.0718 7.0718 7.1587 7.1587 7.6216 7.6216 8.8417 8.8417 11.4527 11.4527 14.6764 14.6764 15.2526 15.2526 16.8498 16.8498 k = 0.2830 0.1647-0.0072 ( 2196 PWs) bands (ev): -8.5669 -8.5669 -7.9343 -7.9343 1.1102 1.1102 1.6832 1.6832 1.9089 1.9089 2.0785 2.0785 2.2107 2.2107 2.7165 2.7165 2.8275 2.8275 3.1958 3.1958 3.5557 3.5557 3.9350 3.9350 4.8455 4.8455 5.7648 5.7648 7.0356 7.0356 7.0997 7.0997 7.6271 7.6271 8.8450 8.8450 11.5390 11.5390 14.6623 14.6623 15.3118 15.3118 16.7026 16.7026 k = 0.2925 0.1702-0.0074 ( 2199 PWs) bands (ev): -8.5544 -8.5544 -7.9343 -7.9343 1.1053 1.1053 1.6795 1.6795 1.9067 1.9067 2.0780 2.0780 2.2318 2.2318 2.7202 2.7202 2.8404 2.8404 3.2131 3.2131 3.5567 3.5567 3.9441 3.9441 4.8781 4.8781 5.7394 5.7394 6.9873 6.9873 7.0520 7.0520 7.6329 7.6329 8.8485 8.8485 11.6235 11.6235 14.6474 14.6474 15.3574 15.3574 16.5727 16.5727 k = 0.3019 0.1756-0.0077 ( 2201 PWs) bands (ev): -8.5422 -8.5422 -7.9341 -7.9341 1.0992 1.0992 1.6748 1.6748 1.9040 1.9040 2.0745 2.0745 2.2560 2.2560 2.7246 2.7246 2.8543 2.8543 3.2322 3.2322 3.5578 3.5578 3.9536 3.9536 4.9125 4.9125 5.7140 5.7140 6.9279 6.9279 7.0156 7.0156 7.6386 7.6386 8.8524 8.8524 11.7059 11.7059 14.6314 14.6314 15.3838 15.3838 16.4659 16.4659 k = 0.3113 0.1811-0.0079 ( 2205 PWs) bands (ev): -8.5305 -8.5305 -7.9336 -7.9336 1.0920 1.0920 1.6692 1.6692 1.9009 1.9009 2.0686 2.0686 2.2822 2.2822 2.7294 2.7294 2.8690 2.8690 3.2532 3.2532 3.5591 3.5591 3.9634 3.9634 4.9482 4.9482 5.6885 5.6885 6.8645 6.8645 6.9844 6.9844 7.6436 7.6436 8.8565 8.8565 11.7860 11.7860 14.6138 14.6138 15.3855 15.3855 16.3883 16.3883 k = 0.3208 0.1866-0.0082 ( 2211 PWs) bands (ev): -8.5191 -8.5191 -7.9330 -7.9330 1.0838 1.0838 1.6627 1.6627 1.8972 1.8972 2.0613 2.0613 2.3098 2.3098 2.7344 2.7344 2.8845 2.8845 3.2760 3.2760 3.5607 3.5607 3.9735 3.9735 4.9846 4.9846 5.6631 5.6631 6.8009 6.8009 6.9552 6.9552 7.6477 7.6477 8.8608 8.8608 11.8638 11.8638 14.5936 14.5936 15.3604 15.3604 16.3432 16.3432 k = 0.3302 0.1921-0.0084 ( 2207 PWs) bands (ev): -8.5082 -8.5082 -7.9321 -7.9321 1.0749 1.0749 1.6557 1.6557 1.8931 1.8931 2.0531 2.0531 2.3381 2.3381 2.7396 2.7396 2.9007 2.9007 3.3008 3.3008 3.5628 3.5628 3.9838 3.9838 5.0209 5.0209 5.6381 5.6381 6.7387 6.7387 6.9271 6.9271 7.6507 7.6507 8.8652 8.8652 11.9391 11.9391 14.5693 14.5693 15.3118 15.3118 16.3286 16.3286 k = 0.3396 0.1976-0.0086 ( 2205 PWs) bands (ev): -8.4977 -8.4977 -7.9311 -7.9311 1.0653 1.0653 1.6480 1.6480 1.8885 1.8885 2.0445 2.0445 2.3664 2.3664 2.7449 2.7449 2.9171 2.9171 3.3273 3.3273 3.5655 3.5655 3.9943 3.9943 5.0561 5.0561 5.6139 5.6139 6.6787 6.6787 6.8998 6.8998 7.6526 7.6526 8.8696 8.8696 12.0119 12.0119 14.5389 14.5389 15.2484 15.2484 16.3378 16.3378 k = 0.3491 0.2031-0.0089 ( 2202 PWs) bands (ev): -8.4878 -8.4878 -7.9299 -7.9299 1.0553 1.0553 1.6398 1.6398 1.8836 1.8836 2.0358 2.0358 2.3945 2.3945 2.7500 2.7500 2.9338 2.9338 3.3555 3.3555 3.5691 3.5691 4.0049 4.0049 5.0883 5.0883 5.5917 5.5917 6.6215 6.6215 6.8732 6.8732 7.6533 7.6533 8.8741 8.8741 12.0821 12.0821 14.4997 14.4997 15.1804 15.1804 16.3630 16.3630 k = 0.3585 0.2086-0.0091 ( 2200 PWs) bands (ev): -8.4784 -8.4784 -7.9285 -7.9285 1.0451 1.0451 1.6312 1.6312 1.8784 1.8784 2.0274 2.0274 2.4217 2.4217 2.7551 2.7551 2.9503 2.9503 3.3848 3.3848 3.5740 3.5740 4.0155 4.0155 5.1155 5.1155 5.5731 5.5731 6.5675 6.5675 6.8475 6.8475 7.6527 7.6527 8.8787 8.8787 12.1497 12.1497 14.4495 14.4495 15.1167 15.1167 16.3974 16.3974 k = 0.3679 0.2141-0.0094 ( 2202 PWs) bands (ev): -8.4697 -8.4697 -7.9270 -7.9270 1.0347 1.0347 1.6223 1.6223 1.8729 1.8729 2.0193 2.0193 2.4477 2.4477 2.7599 2.7599 2.9666 2.9666 3.4146 3.4146 3.5809 3.5809 4.0262 4.0262 5.1349 5.1349 5.5606 5.5606 6.5168 6.5168 6.8227 6.8227 7.6509 7.6509 8.8831 8.8831 12.2147 12.2147 14.3869 14.3869 15.0632 15.0632 16.4361 16.4361 k = 0.3774 0.2196-0.0096 ( 2203 PWs) bands (ev): -8.4615 -8.4615 -7.9253 -7.9253 1.0243 1.0243 1.6133 1.6133 1.8673 1.8673 2.0119 2.0119 2.4723 2.4723 2.7647 2.7647 2.9823 2.9823 3.4435 3.4435 3.5910 3.5910 4.0369 4.0369 5.1433 5.1433 5.5568 5.5568 6.4697 6.4697 6.7989 6.7989 7.6481 7.6481 8.8874 8.8874 12.2772 12.2772 14.3125 14.3125 15.0225 15.0225 16.4758 16.4758 k = 0.3868 0.2250-0.0098 ( 2206 PWs) bands (ev): -8.4539 -8.4539 -7.9236 -7.9236 1.0142 1.0142 1.6043 1.6043 1.8616 1.8616 2.0051 2.0051 2.4953 2.4953 2.7693 2.7693 2.9972 2.9972 3.4697 3.4697 3.6061 3.6061 4.0475 4.0475 5.1388 5.1388 5.5635 5.5635 6.4261 6.4261 6.7762 6.7762 7.6442 7.6442 8.8916 8.8916 12.3372 12.3372 14.2288 14.2288 14.9940 14.9940 16.5140 16.5140 k = 0.3962 0.2305-0.0101 ( 2206 PWs) bands (ev): -8.4470 -8.4470 -7.9219 -7.9219 1.0043 1.0043 1.5955 1.5955 1.8560 1.8560 1.9990 1.9990 2.5165 2.5165 2.7738 2.7738 3.0114 3.0114 3.4913 3.4913 3.6277 3.6277 4.0582 4.0582 5.1214 5.1214 5.5805 5.5805 6.3859 6.3859 6.7548 6.7548 7.6394 7.6394 8.8956 8.8956 12.3949 12.3949 14.1390 14.1390 14.9759 14.9759 16.5494 16.5494 k = 0.4057 0.2360-0.0103 ( 2204 PWs) bands (ev): -8.4407 -8.4407 -7.9201 -7.9201 0.9948 0.9948 1.5869 1.5869 1.8506 1.8506 1.9936 1.9936 2.5357 2.5357 2.7783 2.7783 3.0246 3.0246 3.5072 3.5072 3.6565 3.6565 4.0688 4.0688 5.0931 5.0931 5.6058 5.6058 6.3489 6.3489 6.7349 6.7349 7.6339 7.6339 8.8994 8.8994 12.4503 12.4503 14.0464 14.0464 14.9658 14.9658 16.5809 16.5809 k = 0.4151 0.2415-0.0106 ( 2206 PWs) bands (ev): -8.4350 -8.4350 -7.9184 -7.9184 0.9858 0.9858 1.5787 1.5787 1.8455 1.8455 1.9888 1.9888 2.5529 2.5529 2.7826 2.7826 3.0366 3.0366 3.5183 3.5183 3.6909 3.6909 4.0795 4.0795 5.0566 5.0566 5.6368 5.6368 6.3149 6.3149 6.7164 6.7164 7.6278 7.6278 8.9029 8.9029 12.5035 12.5035 13.9535 13.9535 14.9615 14.9615 16.6080 16.6080 k = 0.4245 0.2470-0.0108 ( 2208 PWs) bands (ev): -8.4299 -8.4299 -7.9167 -7.9167 0.9775 0.9775 1.5710 1.5710 1.8407 1.8407 1.9846 1.9846 2.5680 2.5680 2.7868 2.7868 3.0475 3.0475 3.5260 3.5260 3.7290 3.7290 4.0904 4.0904 5.0144 5.0144 5.6711 5.6711 6.2836 6.2836 6.6996 6.6996 7.6215 7.6215 8.9062 8.9062 12.5547 12.5547 13.8627 13.8627 14.9614 14.9614 16.6306 16.6306 k = 0.4340 0.2525-0.0110 ( 2208 PWs) bands (ev): -8.4254 -8.4254 -7.9152 -7.9152 0.9700 0.9700 1.5640 1.5640 1.8364 1.8364 1.9810 1.9810 2.5811 2.5811 2.7907 2.7907 3.0571 3.0571 3.5315 3.5315 3.7687 3.7687 4.1016 4.1016 4.9688 4.9688 5.7069 5.7069 6.2547 6.2547 6.6845 6.6845 7.6150 7.6150 8.9091 8.9091 12.6038 12.6038 13.7756 13.7756 14.9640 14.9640 16.6486 16.6486 k = 0.4434 0.2580-0.0113 ( 2206 PWs) bands (ev): -8.4216 -8.4216 -7.9137 -7.9137 0.9632 0.9632 1.5577 1.5577 1.8325 1.8325 1.9779 1.9779 2.5923 2.5923 2.7944 2.7944 3.0655 3.0655 3.5355 3.5355 3.8078 3.8078 4.1134 4.1134 4.9219 4.9219 5.7425 5.7425 6.2281 6.2281 6.6712 6.6712 7.6087 7.6087 8.9117 8.9117 12.6505 12.6505 13.6937 13.6937 14.9682 14.9682 16.6626 16.6626 k = 0.4528 0.2635-0.0115 ( 2210 PWs) bands (ev): -8.4183 -8.4183 -7.9124 -7.9124 0.9574 0.9574 1.5522 1.5522 1.8291 1.8291 1.9754 1.9754 2.6015 2.6015 2.7977 2.7977 3.0726 3.0726 3.5384 3.5384 3.8446 3.8446 4.1259 4.1259 4.8755 4.8755 5.7767 5.7767 6.2036 6.2036 6.6598 6.6598 7.6029 7.6029 8.9139 8.9139 12.6945 12.6945 13.6185 13.6185 14.9731 14.9731 16.6729 16.6729 k = 0.4623 0.2690-0.0118 ( 2216 PWs) bands (ev): -8.4157 -8.4157 -7.9113 -7.9113 0.9525 0.9525 1.5476 1.5476 1.8264 1.8264 1.9733 1.9733 2.6088 2.6088 2.8005 2.8005 3.0783 3.0783 3.5406 3.5406 3.8771 3.8771 4.1391 4.1391 4.8319 4.8319 5.8083 5.8083 6.1814 6.1814 6.6504 6.6504 7.5977 7.5977 8.9157 8.9157 12.7350 12.7350 13.5515 13.5515 14.9781 14.9781 16.6802 16.6802 k = 0.4717 0.2744-0.0120 ( 2214 PWs) bands (ev): -8.4137 -8.4137 -7.9105 -7.9105 0.9486 0.9486 1.5440 1.5440 1.8242 1.8242 1.9717 1.9717 2.6145 2.6145 2.8028 2.8028 3.0829 3.0829 3.5422 3.5422 3.9039 3.9039 4.1525 4.1525 4.7933 4.7933 5.8358 5.8358 6.1620 6.1620 6.6430 6.6430 7.5934 7.5934 8.9172 8.9172 12.7705 12.7705 13.4948 13.4948 14.9826 14.9826 16.6852 16.6852 k = 0.4811 0.2799-0.0122 ( 2214 PWs) bands (ev): -8.4122 -8.4122 -7.9098 -7.9098 0.9458 0.9458 1.5413 1.5413 1.8226 1.8226 1.9706 1.9706 2.6184 2.6184 2.8045 2.8045 3.0861 3.0861 3.5433 3.5433 3.9236 3.9236 4.1645 4.1645 4.7625 4.7625 5.8578 5.8578 6.1464 6.1464 6.6377 6.6377 7.5901 7.5901 8.9182 8.9182 12.7990 12.7990 13.4508 13.4508 14.9860 14.9860 16.6883 16.6883 k = 0.4906 0.2854-0.0125 ( 2215 PWs) bands (ev): -8.4113 -8.4113 -7.9094 -7.9094 0.9442 0.9442 1.5397 1.5397 1.8217 1.8217 1.9700 1.9700 2.6208 2.6208 2.8055 2.8055 3.0880 3.0880 3.5439 3.5439 3.9355 3.9355 4.1732 4.1732 4.7425 4.7425 5.8721 5.8721 6.1360 6.1360 6.6345 6.6345 7.5881 7.5881 8.9189 8.9189 12.8178 12.8178 13.4227 13.4227 14.9883 14.9883 16.6899 16.6899 k = 0.5000 0.2909-0.0127 ( 2208 PWs) bands (ev): -8.4110 -8.4110 -7.9093 -7.9093 0.9436 0.9436 1.5392 1.5392 1.8214 1.8214 1.9698 1.9698 2.6216 2.6216 2.8059 2.8059 3.0887 3.0887 3.5442 3.5442 3.9396 3.9396 4.1765 4.1765 4.7355 4.7355 5.8772 5.8772 6.1323 6.1323 6.6335 6.6335 7.5875 7.5875 8.9191 8.9191 12.8244 12.8244 13.4130 13.4130 14.9890 14.9890 16.6904 16.6905 k = 0.5000 0.2909-0.0127 ( 2208 PWs) bands (ev): -8.4110 -8.4110 -7.9093 -7.9093 0.9436 0.9436 1.5392 1.5392 1.8214 1.8214 1.9698 1.9698 2.6216 2.6216 2.8059 2.8059 3.0887 3.0887 3.5442 3.5442 3.9396 3.9396 4.1765 4.1765 4.7355 4.7355 5.8772 5.8772 6.1323 6.1323 6.6335 6.6335 7.5875 7.5875 8.9191 8.9191 12.8244 12.8244 13.4130 13.4130 14.9890 14.9890 16.6904 16.6904 k = 0.5002 0.2910-0.0020 ( 2217 PWs) bands (ev): -8.4108 -8.4108 -7.9095 -7.9095 0.9444 0.9444 1.5398 1.5398 1.8220 1.8220 1.9700 1.9700 2.6204 2.6204 2.8057 2.8057 3.0882 3.0882 3.5432 3.5432 3.9353 3.9353 4.1716 4.1716 4.7440 4.7440 5.8700 5.8700 6.1393 6.1393 6.6357 6.6357 7.5898 7.5898 8.9175 8.9175 12.8184 12.8184 13.4147 13.4147 14.9901 14.9901 16.6918 16.6918 k = 0.5004 0.2912 0.0088 ( 2219 PWs) bands (ev): -8.4102 -8.4102 -7.9102 -7.9102 0.9468 0.9468 1.5416 1.5416 1.8238 1.8238 1.9708 1.9708 2.6169 2.6169 2.8052 2.8052 3.0869 3.0869 3.5404 3.5404 3.9223 3.9223 4.1587 4.1587 4.7683 4.7683 5.8506 5.8506 6.1584 6.1584 6.6424 6.6424 7.5968 7.5968 8.9127 8.9127 12.8009 12.8009 13.4196 13.4196 14.9933 14.9933 16.6957 16.6957 k = 0.5006 0.2913 0.0195 ( 2221 PWs) bands (ev): -8.4092 -8.4092 -7.9113 -7.9113 0.9508 0.9508 1.5446 1.5446 1.8268 1.8268 1.9722 1.9722 2.6110 2.6110 2.8043 2.8043 3.0848 3.0848 3.5357 3.5357 3.8999 3.8999 4.1419 4.1419 4.8047 4.8047 5.8230 5.8230 6.1856 6.1856 6.6535 6.6535 7.6084 7.6084 8.9048 8.9048 12.7733 12.7733 13.4259 13.4259 14.9990 14.9990 16.7021 16.7021 k = 0.5008 0.2914 0.0303 ( 2220 PWs) bands (ev): -8.4077 -8.4077 -7.9128 -7.9128 0.9564 0.9564 1.5489 1.5489 1.8308 1.8308 1.9743 1.9743 2.6028 2.6028 2.8032 2.8032 3.0820 3.0820 3.5292 3.5292 3.8678 3.8678 4.1251 4.1251 4.8497 4.8497 5.7905 5.7905 6.2179 6.2179 6.6688 6.6688 7.6242 7.6242 8.8939 8.8939 12.7379 12.7379 13.4315 13.4315 15.0074 15.0074 16.7110 16.7110 k = 0.5010 0.2915 0.0410 ( 2217 PWs) bands (ev): -8.4059 -8.4059 -7.9148 -7.9148 0.9635 0.9635 1.5543 1.5543 1.8359 1.8359 1.9771 1.9771 2.5921 2.5921 2.8019 2.8019 3.0786 3.0786 3.5210 3.5210 3.8269 3.8269 4.1105 4.1105 4.8997 4.8997 5.7556 5.7556 6.2532 6.2532 6.6883 6.6883 7.6440 7.6440 8.8799 8.8799 12.6965 12.6965 13.4345 13.4345 15.0188 15.0188 16.7220 16.7220 k = 0.5012 0.2916 0.0518 ( 2218 PWs) bands (ev): -8.4037 -8.4037 -7.9171 -7.9171 0.9721 0.9721 1.5608 1.5608 1.8417 1.8417 1.9808 1.9808 2.5791 2.5791 2.8003 2.8003 3.0747 3.0747 3.5111 3.5111 3.7790 3.7790 4.0987 4.0987 4.9524 4.9524 5.7196 5.7196 6.2906 6.2906 6.7116 6.7116 7.6673 7.6673 8.8629 8.8629 12.6511 12.6511 13.4330 13.4330 15.0335 15.0335 16.7351 16.7351 k = 0.5014 0.2917 0.0625 ( 2218 PWs) bands (ev): -8.4012 -8.4012 -7.9198 -7.9198 0.9822 0.9822 1.5684 1.5684 1.8482 1.8482 1.9856 1.9856 2.5636 2.5636 2.7983 2.7983 3.0704 3.0704 3.4996 3.4996 3.7262 3.7262 4.0893 4.0893 5.0058 5.0058 5.6836 5.6836 6.3296 6.3296 6.7387 6.7387 7.6938 7.6938 8.8430 8.8430 12.6032 12.6032 13.4256 13.4256 15.0518 15.0518 16.7498 16.7498 k = 0.5016 0.2919 0.0732 ( 2218 PWs) bands (ev): -8.3983 -8.3983 -7.9229 -7.9229 0.9938 0.9938 1.5770 1.5770 1.8550 1.8550 1.9916 1.9916 2.5456 2.5456 2.7962 2.7962 3.0659 3.0659 3.4864 3.4864 3.6704 3.6704 4.0817 4.0817 5.0584 5.0584 5.6484 5.6484 6.3698 6.3698 6.7692 6.7692 7.7229 7.7229 8.8203 8.8203 12.5542 12.5542 13.4117 13.4117 15.0736 15.0736 16.7661 16.7661 k = 0.5018 0.2920 0.0840 ( 2217 PWs) bands (ev): -8.3951 -8.3951 -7.9263 -7.9263 1.0067 1.0067 1.5866 1.5866 1.8619 1.8619 1.9991 1.9991 2.5254 2.5254 2.7938 2.7938 3.0612 3.0612 3.4715 3.4715 3.6133 3.6133 4.0754 4.0754 5.1087 5.1087 5.6149 5.6149 6.4112 6.4112 6.8029 6.8029 7.7541 7.7541 8.7949 8.7949 12.5052 12.5052 13.3906 13.3906 15.0988 15.0988 16.7834 16.7834 k = 0.5020 0.2921 0.0947 ( 2215 PWs) bands (ev): -8.3916 -8.3916 -7.9300 -7.9300 1.0209 1.0209 1.5971 1.5971 1.8685 1.8685 2.0084 2.0084 2.5030 2.5030 2.7912 2.7912 3.0565 3.0565 3.4544 3.4544 3.5565 3.5565 4.0700 4.0700 5.1555 5.1555 5.5838 5.5838 6.4538 6.4538 6.8395 6.8395 7.7867 7.7867 8.7670 8.7670 12.4571 12.4571 13.3625 13.3625 15.1271 15.1271 16.8015 16.8015 k = 0.5022 0.2922 0.1055 ( 2216 PWs) bands (ev): -8.3878 -8.3878 -7.9340 -7.9340 1.0362 1.0362 1.6085 1.6085 1.8746 1.8746 2.0198 2.0198 2.4784 2.4784 2.7882 2.7882 3.0518 3.0518 3.4336 3.4336 3.5025 3.5025 4.0653 4.0653 5.1974 5.1974 5.5564 5.5564 6.4974 6.4974 6.8788 6.8788 7.8203 7.8203 8.7367 8.7367 12.4109 12.4109 13.3276 13.3276 15.1579 15.1579 16.8200 16.8200 k = 0.5025 0.2923 0.1162 ( 2222 PWs) bands (ev): -8.3839 -8.3839 -7.9382 -7.9382 1.0527 1.0527 1.6206 1.6206 1.8798 1.8798 2.0333 2.0333 2.4521 2.4521 2.7848 2.7848 3.0471 3.0471 3.4039 3.4039 3.4572 3.4572 4.0612 4.0612 5.2327 5.2327 5.5342 5.5342 6.5420 6.5420 6.9204 6.9204 7.8542 7.8542 8.7041 8.7041 12.3674 12.3674 13.2862 13.2862 15.1906 15.1906 16.8386 16.8386 k = 0.5027 0.2925 0.1270 ( 2221 PWs) bands (ev): -8.3798 -8.3798 -7.9425 -7.9425 1.0701 1.0701 1.6334 1.6334 1.8840 1.8840 2.0492 2.0492 2.4242 2.4242 2.7810 2.7810 3.0424 3.0424 3.3606 3.3606 3.4263 3.4263 4.0574 4.0574 5.2593 5.2593 5.5189 5.5189 6.5875 6.5875 6.9640 6.9640 7.8878 7.8878 8.6695 8.6695 12.3271 12.3271 13.2392 13.2392 15.2247 15.2247 16.8569 16.8569 k = 0.5029 0.2926 0.1377 ( 2223 PWs) bands (ev): -8.3755 -8.3755 -7.9470 -7.9470 1.0884 1.0884 1.6468 1.6468 1.8871 1.8871 2.0673 2.0673 2.3950 2.3950 2.7767 2.7767 3.0376 3.0376 3.3106 3.3106 3.4036 3.4036 4.0540 4.0540 5.2754 5.2754 5.5125 5.5125 6.6335 6.6335 7.0093 7.0093 7.9207 7.9207 8.6331 8.6331 12.2907 12.2907 13.1873 13.1873 15.2595 15.2595 16.8746 16.8746 k = 0.5031 0.2927 0.1485 ( 2225 PWs) bands (ev): -8.3712 -8.3712 -7.9516 -7.9516 1.1073 1.1073 1.6607 1.6607 1.8891 1.8891 2.0875 2.0875 2.3651 2.3651 2.7717 2.7717 3.0323 3.0323 3.2603 3.2603 3.3835 3.3835 4.0508 4.0508 5.2807 5.2807 5.5152 5.5152 6.6798 6.6798 7.0560 7.0560 7.9522 7.9522 8.5950 8.5950 12.2589 12.2589 13.1312 13.1312 15.2943 15.2943 16.8915 16.8915 k = 0.5033 0.2928 0.1592 ( 2219 PWs) bands (ev): -8.3669 -8.3669 -7.9562 -7.9562 1.1267 1.1267 1.6751 1.6751 1.8900 1.8900 2.1097 2.1097 2.3350 2.3350 2.7659 2.7659 3.0260 3.0260 3.2128 3.2128 3.3644 3.3644 4.0480 4.0480 5.2771 5.2771 5.5253 5.5253 6.7260 6.7260 7.1035 7.1035 7.9821 7.9821 8.5557 8.5557 12.2321 12.2321 13.0719 13.0719 15.3285 15.3285 16.9071 16.9071 k = 0.5035 0.2929 0.1700 ( 2217 PWs) bands (ev): -8.3625 -8.3625 -7.9608 -7.9608 1.1464 1.1464 1.6897 1.6897 1.8899 1.8899 2.1332 2.1332 2.3055 2.3055 2.7586 2.7586 3.0176 3.0176 3.1700 3.1700 3.3461 3.3461 4.0454 4.0454 5.2677 5.2677 5.5398 5.5398 6.7714 6.7714 7.1515 7.1515 8.0098 8.0098 8.5154 8.5154 12.2107 12.2107 13.0101 13.0101 15.3616 15.3616 16.9215 16.9215 k = 0.5037 0.2931 0.1807 ( 2218 PWs) bands (ev): -8.3583 -8.3583 -7.9652 -7.9652 1.1660 1.1660 1.7046 1.7046 1.8887 1.8887 2.1567 2.1567 2.2780 2.2780 2.7494 2.7494 3.0055 3.0055 3.1344 3.1344 3.3284 3.3284 4.0430 4.0430 5.2554 5.2554 5.5558 5.5558 6.8156 6.8156 7.1995 7.1995 8.0351 8.0351 8.4745 8.4745 12.1953 12.1953 12.9465 12.9465 15.3930 15.3930 16.9342 16.9342 k = 0.5039 0.2932 0.1914 ( 2214 PWs) bands (ev): -8.3542 -8.3542 -7.9695 -7.9695 1.1852 1.1852 1.7196 1.7196 1.8866 1.8866 2.1764 2.1764 2.2569 2.2569 2.7378 2.7378 2.9886 2.9886 3.1083 3.1083 3.3115 3.3115 4.0409 4.0409 5.2422 5.2422 5.5718 5.5718 6.8578 6.8578 7.2470 7.2470 8.0578 8.0578 8.4335 8.4335 12.1860 12.1860 12.8822 12.8822 15.4225 15.4225 16.9452 16.9452 k = 0.5041 0.2933 0.2022 ( 2214 PWs) bands (ev): -8.3504 -8.3504 -7.9736 -7.9736 1.2037 1.2037 1.7345 1.7345 1.8835 1.8835 2.1807 2.1807 2.2540 2.2540 2.7228 2.7228 2.9675 2.9675 3.0916 3.0916 3.2955 3.2955 4.0390 4.0390 5.2291 5.2291 5.5867 5.5867 6.8974 6.8974 7.2932 7.2932 8.0778 8.0778 8.3929 8.3929 12.1831 12.1831 12.8177 12.8177 15.4496 15.4496 16.9546 16.9546 k = 0.5043 0.2934 0.2129 ( 2214 PWs) bands (ev): -8.3468 -8.3468 -7.9774 -7.9774 1.2211 1.2211 1.7493 1.7493 1.8796 1.8796 2.1665 2.1665 2.2729 2.2729 2.7038 2.7038 2.9456 2.9456 3.0821 3.0821 3.2808 3.2808 4.0373 4.0373 5.2169 5.2169 5.6000 5.6000 6.9336 6.9336 7.3374 7.3374 8.0952 8.0952 8.3534 8.3534 12.1868 12.1868 12.7539 12.7539 15.4741 15.4741 16.9620 16.9620 k = 0.5045 0.2935 0.2237 ( 2215 PWs) bands (ev): -8.3436 -8.3436 -7.9808 -7.9808 1.2369 1.2369 1.7638 1.7638 1.8748 1.8748 2.1465 2.1465 2.3010 2.3010 2.6805 2.6805 2.9259 2.9259 3.0769 3.0769 3.2676 3.2676 4.0359 4.0359 5.2060 5.2060 5.6113 5.6113 6.9657 6.9657 7.3786 7.3786 8.1099 8.1099 8.3158 8.3158 12.1970 12.1970 12.6915 12.6915 15.4956 15.4956 16.9677 16.9677 k = 0.5047 0.2936 0.2344 ( 2211 PWs) bands (ev): -8.3408 -8.3408 -7.9837 -7.9837 1.2507 1.2507 1.7778 1.7778 1.8692 1.8692 2.1272 2.1272 2.3323 2.3323 2.6535 2.6535 2.9102 2.9102 3.0744 3.0744 3.2560 3.2560 4.0348 4.0348 5.1968 5.1968 5.6207 5.6207 6.9927 6.9927 7.4158 7.4158 8.1224 8.1224 8.2812 8.2812 12.2137 12.2137 12.6312 12.6312 15.5141 15.5141 16.9716 16.9716 k = 0.5049 0.2938 0.2452 ( 2212 PWs) bands (ev): -8.3384 -8.3384 -7.9862 -7.9862 1.2620 1.2620 1.7912 1.7912 1.8628 1.8628 2.1107 2.1107 2.3643 2.3643 2.6239 2.6239 2.8988 2.8988 3.0734 3.0734 3.2466 3.2466 4.0338 4.0338 5.1894 5.1894 5.6279 5.6279 7.0142 7.0142 7.4475 7.4475 8.1329 8.1329 8.2506 8.2506 12.2366 12.2366 12.5738 12.5738 15.5293 15.5293 16.9736 16.9736 k = 0.5051 0.2939 0.2559 ( 2212 PWs) bands (ev): -8.3366 -8.3366 -7.9881 -7.9881 1.2703 1.2703 1.8036 1.8036 1.8557 1.8557 2.0982 2.0982 2.3950 2.3950 2.5943 2.5943 2.8914 2.8914 3.0733 3.0733 3.2394 3.2394 4.0332 4.0332 5.1839 5.1839 5.6331 5.6331 7.0294 7.0294 7.4723 7.4723 8.1418 8.1418 8.2256 8.2256 12.2652 12.2652 12.5203 12.5203 15.5411 15.5411 16.9740 16.9740 k = 0.5053 0.2940 0.2667 ( 2210 PWs) bands (ev): -8.3354 -8.3354 -7.9895 -7.9895 1.2753 1.2753 1.8143 1.8143 1.8483 1.8483 2.0906 2.0906 2.4204 2.4204 2.5690 2.5690 2.8876 2.8876 3.0736 3.0736 3.2348 3.2348 4.0327 4.0327 5.1803 5.1803 5.6362 5.6362 7.0380 7.0380 7.4887 7.4887 8.1489 8.1489 8.2077 8.2077 12.2984 12.2984 12.4720 12.4720 15.5494 15.5494 16.9726 16.9726 k = 0.5053 0.2940 0.2667 ( 2210 PWs) bands (ev): -8.3354 -8.3354 -7.9895 -7.9895 1.2753 1.2753 1.8143 1.8143 1.8483 1.8483 2.0906 2.0906 2.4204 2.4204 2.5690 2.5690 2.8876 2.8876 3.0736 3.0736 3.2348 3.2348 4.0327 4.0327 5.1803 5.1803 5.6362 5.6362 7.0380 7.0380 7.4887 7.4887 8.1489 8.1489 8.2077 8.2077 12.2984 12.2984 12.4720 12.4720 15.5494 15.5494 16.9726 16.9726 k = 0.5027 0.2925 0.2730 ( 2212 PWs) bands (ev): -8.3348 -8.3348 -7.9900 -7.9900 1.2765 1.2765 1.8193 1.8193 1.8443 1.8443 2.0889 2.0889 2.4288 2.4288 2.5604 2.5604 2.8869 2.8869 3.0739 3.0739 3.2333 3.2333 4.0327 4.0327 5.1792 5.1792 5.6370 5.6370 7.0395 7.0395 7.4937 7.4937 8.1523 8.1523 8.2016 8.2016 12.3288 12.3288 12.4363 12.4363 15.5538 15.5538 16.9692 16.9692 k = 0.5000 0.2909 0.2794 ( 2214 PWs) bands (ev): -8.3346 -8.3346 -7.9902 -7.9902 1.2769 1.2769 1.8214 1.8214 1.8425 1.8425 2.0883 2.0883 2.4318 2.4318 2.5573 2.5573 2.8867 2.8867 3.0740 3.0740 3.2328 3.2328 4.0327 4.0327 5.1789 5.1789 5.6372 5.6372 7.0400 7.0400 7.4954 7.4954 8.1535 8.1535 8.1994 8.1994 12.3451 12.3451 12.4183 12.4183 15.5553 15.5553 16.9680 16.9680 k = 0.5000 0.2909 0.2794 ( 2214 PWs) bands (ev): -8.3346 -8.3346 -7.9902 -7.9902 1.2769 1.2769 1.8214 1.8214 1.8425 1.8425 2.0883 2.0883 2.4318 2.4318 2.5573 2.5573 2.8867 2.8867 3.0740 3.0740 3.2328 3.2328 4.0327 4.0327 5.1789 5.1789 5.6372 5.6372 7.0400 7.0400 7.4954 7.4954 8.1535 8.1535 8.1994 8.1994 12.3451 12.3451 12.4183 12.4183 15.5553 15.5553 16.9680 16.9680 k = 0.5054 0.2816 0.2794 ( 2212 PWs) bands (ev): -8.3346 -8.3346 -7.9900 -7.9900 1.2766 1.2766 1.8197 1.8197 1.8450 1.8450 2.0883 2.0883 2.4311 2.4311 2.5579 2.5579 2.8864 2.8864 3.0746 3.0746 3.2333 3.2333 4.0321 4.0321 5.1797 5.1797 5.6377 5.6377 7.0377 7.0377 7.4963 7.4963 8.1291 8.1291 8.2219 8.2219 12.3461 12.3461 12.4211 12.4211 15.5552 15.5552 16.9700 16.9700 k = 0.5108 0.2724 0.2794 ( 2206 PWs) bands (ev): -8.3346 -8.3346 -7.9897 -7.9897 1.2758 1.2758 1.8161 1.8161 1.8509 1.8509 2.0884 2.0884 2.4290 2.4290 2.5598 2.5598 2.8855 2.8855 3.0765 3.0765 3.2347 3.2347 4.0303 4.0303 5.1821 5.1821 5.6392 5.6392 7.0308 7.0308 7.4992 7.4992 8.0887 8.0887 8.2563 8.2563 12.3491 12.3491 12.4296 12.4296 15.5552 15.5552 16.9758 16.9758 k = 0.5162 0.2631 0.2794 ( 2212 PWs) bands (ev): -8.3347 -8.3347 -7.9890 -7.9890 1.2743 1.2743 1.8120 1.8120 1.8585 1.8585 2.0884 2.0884 2.4256 2.4256 2.5627 2.5627 2.8840 2.8840 3.0795 3.0795 3.2371 3.2371 4.0273 4.0273 5.1861 5.1861 5.6417 5.6417 7.0196 7.0196 7.5036 7.5036 8.0445 8.0445 8.2907 8.2907 12.3541 12.3541 12.4436 12.4436 15.5550 15.5550 16.9855 16.9855 k = 0.5216 0.2538 0.2794 ( 2218 PWs) bands (ev): -8.3348 -8.3348 -7.9881 -7.9881 1.2723 1.2723 1.8081 1.8081 1.8672 1.8672 2.0884 2.0884 2.4211 2.4211 2.5666 2.5666 2.8818 2.8818 3.0838 3.0838 3.2403 3.2403 4.0232 4.0232 5.1916 5.1916 5.6452 5.6452 7.0044 7.0044 7.5092 7.5092 7.9980 7.9980 8.3236 8.3236 12.3611 12.3611 12.4631 12.4631 15.5547 15.5547 16.9989 16.9989 k = 0.5270 0.2446 0.2794 ( 2222 PWs) bands (ev): -8.3349 -8.3349 -7.9870 -7.9870 1.2698 1.2698 1.8047 1.8047 1.8769 1.8769 2.0886 2.0886 2.4157 2.4157 2.5710 2.5710 2.8793 2.8793 3.0893 3.0893 3.2443 3.2443 4.0180 4.0180 5.1986 5.1986 5.6497 5.6497 6.9858 6.9858 7.5156 7.5156 7.9495 7.9495 8.3549 8.3549 12.3702 12.3702 12.4878 12.4878 15.5544 15.5544 17.0159 17.0159 k = 0.5324 0.2353 0.2794 ( 2222 PWs) bands (ev): -8.3350 -8.3350 -7.9856 -7.9856 1.2668 1.2668 1.8017 1.8017 1.8873 1.8873 2.0889 2.0889 2.4097 2.4097 2.5760 2.5760 2.8764 2.8764 3.0961 3.0961 3.2491 3.2491 4.0118 4.0118 5.2070 5.2070 5.6553 5.6553 6.9640 6.9640 7.5223 7.5223 7.8994 7.8994 8.3846 8.3846 12.3813 12.3813 12.5178 12.5178 15.5539 15.5539 17.0364 17.0364 k = 0.5378 0.2260 0.2794 ( 2222 PWs) bands (ev): -8.3352 -8.3352 -7.9841 -7.9841 1.2633 1.2633 1.7991 1.7991 1.8983 1.8983 2.0893 2.0893 2.4032 2.4032 2.5812 2.5812 2.8734 2.8734 3.1042 3.1042 3.2545 3.2545 4.0047 4.0047 5.2169 5.2169 5.6619 5.6619 6.9396 6.9396 7.5285 7.5285 7.8480 7.8480 8.4126 8.4126 12.3944 12.3944 12.5528 12.5528 15.5532 15.5532 17.0601 17.0601 k = 0.5432 0.2168 0.2794 ( 2222 PWs) bands (ev): -8.3354 -8.3354 -7.9822 -7.9822 1.2594 1.2594 1.7969 1.7969 1.9098 1.9098 2.0900 2.0900 2.3962 2.3962 2.5865 2.5865 2.8703 2.8703 3.1134 3.1134 3.2605 3.2605 3.9968 3.9968 5.2282 5.2282 5.6695 5.6695 6.9130 6.9130 7.5336 7.5336 7.7961 7.7961 8.4391 8.4391 12.4095 12.4095 12.5927 12.5927 15.5523 15.5523 17.0864 17.0864 k = 0.5485 0.2075 0.2794 ( 2226 PWs) bands (ev): -8.3356 -8.3356 -7.9802 -7.9802 1.2550 1.2550 1.7951 1.7951 1.9216 1.9216 2.0909 2.0909 2.3888 2.3888 2.5917 2.5917 2.8674 2.8674 3.1237 3.1237 3.2670 3.2670 3.9881 3.9881 5.2407 5.2407 5.6783 5.6783 6.8844 6.8844 7.5360 7.5360 7.7450 7.7450 8.4639 8.4639 12.4264 12.4264 12.6373 12.6373 15.5511 15.5511 17.1144 17.1144 k = 0.5539 0.1982 0.2794 ( 2222 PWs) bands (ev): -8.3359 -8.3359 -7.9781 -7.9781 1.2503 1.2503 1.7935 1.7935 1.9337 1.9337 2.0922 2.0922 2.3811 2.3811 2.5969 2.5969 2.8649 2.8649 3.1351 3.1351 3.2740 3.2740 3.9788 3.9788 5.2544 5.2544 5.6882 5.6882 6.8542 6.8542 7.5329 7.5329 7.6974 7.6974 8.4874 8.4874 12.4451 12.4451 12.6865 12.6865 15.5496 15.5496 17.1406 17.1406 k = 0.5593 0.1889 0.2794 ( 2214 PWs) bands (ev): -8.3361 -8.3361 -7.9757 -7.9757 1.2453 1.2453 1.7921 1.7921 1.9458 1.9458 2.0942 2.0942 2.3732 2.3732 2.6019 2.6019 2.8630 2.8630 3.1472 3.1472 3.2816 3.2816 3.9690 3.9690 5.2693 5.2693 5.6992 5.6992 6.8227 6.8227 7.5188 7.5188 7.6589 7.6589 8.5094 8.5094 12.4656 12.4656 12.7402 12.7402 15.5477 15.5477 17.1440 17.1440 k = 0.5647 0.1797 0.2794 ( 2214 PWs) bands (ev): -8.3364 -8.3364 -7.9732 -7.9732 1.2399 1.2399 1.7908 1.7908 1.9575 1.9575 2.0967 2.0967 2.3650 2.3650 2.6066 2.6066 2.8617 2.8617 3.1600 3.1600 3.2896 3.2896 3.9587 3.9587 5.2853 5.2853 5.7113 5.7113 6.7901 6.7901 7.4878 7.4878 7.6353 7.6353 8.5301 8.5301 12.4878 12.4878 12.7980 12.7980 15.5453 15.5453 17.0403 17.0403 k = 0.5701 0.1704 0.2794 ( 2214 PWs) bands (ev): -8.3367 -8.3367 -7.9706 -7.9706 1.2343 1.2343 1.7895 1.7895 1.9687 1.9687 2.1001 2.1001 2.3565 2.3565 2.6110 2.6110 2.8613 2.8613 3.1734 3.1734 3.2981 3.2981 3.9482 3.9482 5.3022 5.3022 5.7247 5.7247 6.7567 6.7567 7.4415 7.4415 7.6253 7.6253 8.5495 8.5495 12.5115 12.5115 12.8598 12.8598 15.5421 15.5421 16.8711 16.8711 k = 0.5755 0.1611 0.2794 ( 2216 PWs) bands (ev): -8.3371 -8.3371 -7.9678 -7.9678 1.2286 1.2286 1.7882 1.7882 1.9790 1.9790 2.1045 2.1045 2.3478 2.3478 2.6152 2.6152 2.8617 2.8617 3.1870 3.1870 3.3072 3.3072 3.9375 3.9375 5.3201 5.3201 5.7392 5.7392 6.7225 6.7225 7.3862 7.3862 7.6226 7.6226 8.5677 8.5677 12.5368 12.5368 12.9254 12.9254 15.5381 15.5381 16.6909 16.6909 k = 0.5809 0.1519 0.2794 ( 2214 PWs) bands (ev): -8.3374 -8.3374 -7.9650 -7.9650 1.2226 1.2226 1.7868 1.7868 1.9882 1.9882 2.1102 2.1102 2.3389 2.3389 2.6192 2.6192 2.8631 2.8631 3.2008 3.2008 3.3170 3.3170 3.9268 3.9268 5.3389 5.3389 5.7550 5.7550 6.6879 6.6879 7.3264 7.3264 7.6229 7.6229 8.5847 8.5847 12.5636 12.5636 12.9945 12.9945 15.5328 15.5328 16.5084 16.5084 k = 0.5863 0.1426 0.2794 ( 2216 PWs) bands (ev): -8.3378 -8.3378 -7.9621 -7.9621 1.2166 1.2166 1.7853 1.7853 1.9959 1.9959 2.1173 2.1173 2.3299 2.3299 2.6232 2.6232 2.8654 2.8654 3.2145 3.2145 3.3274 3.3274 3.9161 3.9161 5.3585 5.3585 5.7719 5.7719 6.6529 6.6529 7.2641 7.2641 7.6245 7.6245 8.6005 8.6005 12.5918 12.5918 13.0667 13.0667 15.5255 15.5255 16.3265 16.3265 k = 0.5917 0.1333 0.2794 ( 2218 PWs) bands (ev): -8.3383 -8.3383 -7.9592 -7.9592 1.2104 1.2104 1.7836 1.7836 2.0021 2.0021 2.1257 2.1257 2.3207 2.3207 2.6270 2.6270 2.8686 2.8686 3.2280 3.2280 3.3385 3.3385 3.9056 3.9056 5.3789 5.3789 5.7900 5.7900 6.6178 6.6178 7.2003 7.2003 7.6264 7.6264 8.6151 8.6151 12.6215 12.6215 13.1419 13.1419 15.5150 15.5150 16.1477 16.1477 k = 0.5971 0.1240 0.2794 ( 2220 PWs) bands (ev): -8.3388 -8.3388 -7.9562 -7.9562 1.2043 1.2043 1.7817 1.7817 2.0067 2.0067 2.1352 2.1352 2.3117 2.3117 2.6310 2.6310 2.8727 2.8727 3.2412 3.2412 3.3505 3.3505 3.8954 3.8954 5.3999 5.3999 5.8093 5.8093 6.5825 6.5825 7.1358 7.1358 7.6282 7.6282 8.6286 8.6286 12.6524 12.6524 13.2197 13.2197 15.4983 15.4983 15.9756 15.9756 k = 0.6025 0.1148 0.2794 ( 2216 PWs) bands (ev): -8.3393 -8.3393 -7.9533 -7.9533 1.1981 1.1981 1.7795 1.7795 2.0100 2.0100 2.1454 2.1454 2.3030 2.3030 2.6350 2.6350 2.8776 2.8776 3.2539 3.2539 3.3632 3.3632 3.8856 3.8856 5.4215 5.4215 5.8296 5.8296 6.5474 6.5474 7.0712 7.0712 7.6298 7.6298 8.6410 8.6410 12.6848 12.6848 13.2996 13.2996 15.4676 15.4676 15.8187 15.8187 k = 0.6079 0.1055 0.2794 ( 2214 PWs) bands (ev): -8.3398 -8.3398 -7.9504 -7.9504 1.1919 1.1919 1.7771 1.7771 2.0120 2.0120 2.1557 2.1557 2.2949 2.2949 2.6392 2.6392 2.8831 2.8831 3.2659 3.2659 3.3767 3.3767 3.8762 3.8762 5.4437 5.4437 5.8508 5.8508 6.5124 6.5124 7.0067 7.0067 7.6310 7.6310 8.6522 8.6522 12.7183 12.7183 13.3811 13.3811 15.4052 15.4052 15.6957 15.6957 k = 0.6133 0.0962 0.2794 ( 2214 PWs) bands (ev): -8.3403 -8.3403 -7.9476 -7.9476 1.1858 1.1858 1.7744 1.7744 2.0129 2.0129 2.1654 2.1654 2.2881 2.2881 2.6437 2.6437 2.8890 2.8890 3.2772 3.2772 3.3909 3.3909 3.8675 3.8675 5.4664 5.4664 5.8729 5.8729 6.4778 6.4778 6.9430 6.9430 7.6319 7.6319 8.6623 8.6623 12.7531 12.7531 13.4634 13.4634 15.2951 15.2951 15.6233 15.6233 k = 0.6187 0.0870 0.2794 ( 2210 PWs) bands (ev): -8.3409 -8.3409 -7.9449 -7.9449 1.1798 1.1798 1.7715 1.7715 2.0130 2.0130 2.1735 2.1735 2.2831 2.2831 2.6484 2.6484 2.8955 2.8955 3.2879 3.2879 3.4058 3.4058 3.8594 3.8594 5.4895 5.4895 5.8955 5.8955 6.4436 6.4436 6.8805 6.8805 7.6322 7.6322 8.6711 8.6711 12.7892 12.7892 13.5456 13.5456 15.1531 15.1531 15.5871 15.5871 k = 0.6241 0.0777 0.2794 ( 2210 PWs) bands (ev): -8.3416 -8.3416 -7.9423 -7.9423 1.1739 1.1739 1.7684 1.7684 2.0122 2.0122 2.1789 2.1789 2.2809 2.2809 2.6533 2.6533 2.9022 2.9022 3.2979 3.2979 3.4212 3.4212 3.8521 3.8521 5.5128 5.5128 5.9183 5.9183 6.4100 6.4100 6.8197 6.8197 7.6322 7.6322 8.6787 8.6787 12.8265 12.8265 13.6259 13.6259 15.0015 15.0015 15.5666 15.5666 k = 0.6295 0.0684 0.2794 ( 2212 PWs) bands (ev): -8.3422 -8.3422 -7.9399 -7.9399 1.1681 1.1681 1.7650 1.7650 2.0109 2.0109 2.1808 2.1808 2.2821 2.2821 2.6584 2.6584 2.9091 2.9091 3.3070 3.3070 3.4370 3.4370 3.8456 3.8456 5.5364 5.5364 5.9409 5.9409 6.3770 6.3770 6.7615 6.7615 7.6318 7.6318 8.6849 8.6849 12.8650 12.8650 13.7016 13.7016 14.8526 14.8526 15.5524 15.5524 k = 0.6348 0.0592 0.2794 ( 2212 PWs) bands (ev): -8.3429 -8.3429 -7.9377 -7.9377 1.1625 1.1625 1.7614 1.7614 2.0091 2.0091 2.1793 2.1793 2.2867 2.2867 2.6637 2.6637 2.9161 2.9161 3.3154 3.3154 3.4532 3.4532 3.8400 3.8400 5.5600 5.5600 5.9626 5.9626 6.3448 6.3448 6.7066 6.7066 7.6310 7.6310 8.6898 8.6898 12.9047 12.9047 13.7677 13.7677 14.7149 14.7149 15.5411 15.5411 k = 0.6402 0.0499 0.2794 ( 2220 PWs) bands (ev): -8.3437 -8.3437 -7.9356 -7.9356 1.1571 1.1571 1.7576 1.7576 2.0068 2.0068 2.1748 2.1748 2.2940 2.2940 2.6690 2.6690 2.9231 2.9231 3.3230 3.3230 3.4696 3.4696 3.8352 3.8352 5.5834 5.5834 5.9826 5.9826 6.3132 6.3132 6.6565 6.6565 7.6298 7.6298 8.6931 8.6931 12.9457 12.9457 13.8151 13.8151 14.5991 14.5991 15.5310 15.5310 k = 0.6456 0.0406 0.2794 ( 2222 PWs) bands (ev): -8.3445 -8.3445 -7.9338 -7.9338 1.1518 1.1518 1.7536 1.7536 2.0042 2.0042 2.1684 2.1684 2.3030 2.3030 2.6745 2.6745 2.9300 2.9300 3.3298 3.3298 3.4862 3.4862 3.8314 3.8314 5.6063 5.6063 5.9999 5.9999 6.2822 6.2822 6.6126 6.6126 7.6284 7.6284 8.6949 8.6949 12.9878 12.9878 13.8296 13.8296 14.5205 14.5205 15.5216 15.5216 k = 0.6510 0.0313 0.2794 ( 2222 PWs) bands (ev): -8.3453 -8.3453 -7.9323 -7.9323 1.1469 1.1469 1.7496 1.7496 2.0014 2.0014 2.1609 2.1609 2.3129 2.3129 2.6800 2.6800 2.9369 2.9369 3.3357 3.3357 3.5031 3.5031 3.8284 3.8284 5.6285 5.6285 6.0134 6.0134 6.2515 6.2515 6.5769 6.5769 7.6268 7.6268 8.6950 8.6950 13.0312 13.0312 13.7980 13.7980 14.4925 14.4925 15.5124 15.5124 k = 0.6564 0.0221 0.2794 ( 2212 PWs) bands (ev): -8.3461 -8.3461 -7.9311 -7.9311 1.1422 1.1422 1.7455 1.7455 1.9984 1.9984 2.1527 2.1527 2.3233 2.3233 2.6855 2.6855 2.9437 2.9437 3.3407 3.3407 3.5201 3.5201 3.8264 3.8264 5.6493 5.6493 6.0220 6.0220 6.2207 6.2207 6.5513 6.5513 7.6251 7.6251 8.6934 8.6934 13.0759 13.0759 13.7227 13.7227 14.5131 14.5131 15.5033 15.5033 k = 0.6618 0.0128 0.2794 ( 2214 PWs) bands (ev): -8.3470 -8.3470 -7.9302 -7.9302 1.1377 1.1377 1.7413 1.7413 1.9953 1.9953 2.1441 2.1441 2.3334 2.3334 2.6908 2.6908 2.9501 2.9501 3.3446 3.3446 3.5371 3.5371 3.8251 3.8251 5.6681 5.6681 6.0251 6.0251 6.1900 6.1900 6.5372 6.5372 7.6232 7.6232 8.6900 8.6900 13.1217 13.1217 13.6194 13.6194 14.5667 14.5667 15.4940 15.4940 k = 0.6672 0.0035 0.2794 ( 2220 PWs) bands (ev): -8.3479 -8.3479 -7.9297 -7.9297 1.1335 1.1335 1.7372 1.7372 1.9920 1.9920 2.1355 2.1355 2.3431 2.3431 2.6958 2.6958 2.9562 2.9562 3.3475 3.3475 3.5542 3.5542 3.8245 3.8245 5.6841 5.6841 6.0221 6.0221 6.1604 6.1604 6.5350 6.5350 7.6212 7.6212 8.6846 8.6846 13.1685 13.1685 13.5026 13.5026 14.6388 14.6388 15.4847 15.4847 k = 0.3328-0.5720 0.2921 ( 2220 PWs) bands (ev): -8.3479 -8.3479 -7.9297 -7.9297 1.1335 1.1335 1.7372 1.7372 1.9920 1.9920 2.1355 2.1355 2.3431 2.3431 2.6958 2.6958 2.9562 2.9562 3.3475 3.3475 3.5542 3.5542 3.8245 3.8245 5.6841 5.6841 6.0221 6.0221 6.1604 6.1604 6.5350 6.5350 7.6212 7.6212 8.6846 8.6846 13.1685 13.1685 13.5026 13.5026 14.6388 14.6388 15.4847 15.4847 k = 0.3273-0.5626 0.2921 ( 2216 PWs) bands (ev): -8.3489 -8.3489 -7.9295 -7.9295 1.1296 1.1296 1.7331 1.7331 1.9888 1.9888 2.1269 2.1269 2.3524 2.3524 2.7007 2.7007 2.9622 2.9622 3.3494 3.3494 3.5713 3.5713 3.8247 3.8247 5.6964 5.6964 6.0119 6.0119 6.1346 6.1346 6.5437 6.5437 7.6193 7.6193 8.6770 8.6770 13.2157 13.2157 13.3809 13.3809 14.7215 14.7215 15.4754 15.4754 k = 0.3219-0.5532 0.2921 ( 2216 PWs) bands (ev): -8.3499 -8.3499 -7.9298 -7.9298 1.1260 1.1260 1.7291 1.7291 1.9856 1.9856 2.1186 2.1186 2.3610 2.3610 2.7053 2.7053 2.9678 2.9678 3.3504 3.3504 3.5883 3.5883 3.8255 3.8255 5.7038 5.7038 5.9932 5.9932 6.1172 6.1172 6.5617 6.5617 7.6174 7.6174 8.6673 8.6673 13.2326 13.2326 13.2907 13.2907 14.8085 14.8085 15.4664 15.4664 k = 0.3164-0.5438 0.2921 ( 2212 PWs) bands (ev): -8.3509 -8.3509 -7.9304 -7.9304 1.1228 1.1228 1.7253 1.7253 1.9824 1.9824 2.1105 2.1105 2.3688 2.3688 2.7094 2.7094 2.9731 2.9731 3.3503 3.3503 3.6050 3.6050 3.8268 3.8268 5.7054 5.7054 5.9660 5.9660 6.1110 6.1110 6.5869 6.5869 7.6156 7.6156 8.6553 8.6553 13.1261 13.1261 13.3279 13.3279 14.8960 14.8960 15.4586 15.4586 k = 0.3110-0.5345 0.2921 ( 2212 PWs) bands (ev): -8.3520 -8.3520 -7.9316 -7.9316 1.1199 1.1199 1.7216 1.7216 1.9794 1.9794 2.1027 2.1027 2.3758 2.3758 2.7130 2.7130 2.9779 2.9779 3.3494 3.3494 3.6211 3.6211 3.8285 3.8285 5.7010 5.7010 5.9329 5.9329 6.1152 6.1152 6.6174 6.6174 7.6141 7.6141 8.6411 8.6411 13.0100 13.0100 13.3805 13.3805 14.9801 14.9801 15.4536 15.4536 k = 0.3055-0.5251 0.2921 ( 2208 PWs) bands (ev): -8.3531 -8.3531 -7.9332 -7.9332 1.1175 1.1175 1.7183 1.7183 1.9766 1.9766 2.0954 2.0954 2.3819 2.3819 2.7162 2.7162 2.9822 2.9822 3.3477 3.3477 3.6364 3.6364 3.8308 3.8308 5.6910 5.6910 5.8969 5.8969 6.1281 6.1281 6.6517 6.6517 7.6128 7.6128 8.6246 8.6246 12.8981 12.8981 13.4360 13.4360 15.0562 15.0562 15.4542 15.4542 k = 0.3001-0.5157 0.2921 ( 2204 PWs) bands (ev): -8.3543 -8.3543 -7.9352 -7.9352 1.1155 1.1155 1.7153 1.7153 1.9739 1.9739 2.0884 2.0884 2.3871 2.3871 2.7188 2.7188 2.9860 2.9860 3.3452 3.3452 3.6507 3.6507 3.8337 3.8337 5.6763 5.6763 5.8599 5.8599 6.1477 6.1477 6.6886 6.6886 7.6119 7.6119 8.6059 8.6059 12.7920 12.7920 13.4937 13.4937 15.1177 15.1177 15.4658 15.4658 k = 0.2946-0.5063 0.2921 ( 2206 PWs) bands (ev): -8.3555 -8.3555 -7.9378 -7.9378 1.1138 1.1138 1.7126 1.7126 1.9714 1.9714 2.0817 2.0817 2.3914 2.3914 2.7209 2.7209 2.9892 2.9892 3.3420 3.3420 3.6635 3.6635 3.8371 3.8371 5.6578 5.6578 5.8231 5.8231 6.1727 6.1727 6.7270 6.7270 7.6112 7.6112 8.5850 8.5850 12.6923 12.6923 13.5535 13.5535 15.1573 15.1573 15.4943 15.4943 k = 0.2891-0.4970 0.2921 ( 2204 PWs) bands (ev): -8.3567 -8.3567 -7.9409 -7.9409 1.1127 1.1127 1.7104 1.7104 1.9691 1.9691 2.0755 2.0755 2.3949 2.3949 2.7224 2.7224 2.9918 2.9918 3.3383 3.3383 3.6746 3.6746 3.8413 3.8413 5.6368 5.6368 5.7871 5.7871 6.2018 6.2018 6.7661 6.7661 7.6111 7.6111 8.5623 8.5623 12.5995 12.5995 13.6154 13.6154 15.1721 15.1721 15.5413 15.5413 k = 0.2837-0.4876 0.2921 ( 2208 PWs) bands (ev): -8.3580 -8.3580 -7.9445 -7.9445 1.1119 1.1119 1.7086 1.7086 1.9669 1.9669 2.0696 2.0696 2.3975 2.3975 2.7233 2.7233 2.9936 2.9936 3.3340 3.3340 3.6835 3.6835 3.8465 3.8465 5.6140 5.6140 5.7522 5.7522 6.2344 6.2344 6.8052 6.8052 7.6114 7.6114 8.5379 8.5379 12.5139 12.5139 13.6794 13.6794 15.1663 15.1663 15.6017 15.6017 k = 0.2782-0.4782 0.2921 ( 2212 PWs) bands (ev): -8.3593 -8.3593 -7.9487 -7.9487 1.1117 1.1117 1.7073 1.7073 1.9648 1.9648 2.0641 2.0641 2.3992 2.3992 2.7237 2.7237 2.9947 2.9947 3.3294 3.3294 3.6901 3.6901 3.8527 3.8527 5.5902 5.5902 5.7185 5.7185 6.2695 6.2695 6.8436 6.8436 7.6124 7.6124 8.5121 8.5121 12.4356 12.4356 13.7458 13.7458 15.1457 15.1457 15.6685 15.6685 k = 0.2728-0.4688 0.2921 ( 2212 PWs) bands (ev): -8.3606 -8.3606 -7.9533 -7.9533 1.1119 1.1119 1.7065 1.7065 1.9630 1.9630 2.0590 2.0590 2.4002 2.4002 2.7236 2.7236 2.9950 2.9950 3.3244 3.3244 3.6940 3.6940 3.8599 3.8599 5.5661 5.5661 5.6860 5.6860 6.3069 6.3069 6.8809 6.8809 7.6139 7.6139 8.4854 8.4854 12.3648 12.3648 13.8146 13.8146 15.1147 15.1147 15.7369 15.7369 k = 0.2673-0.4595 0.2921 ( 2212 PWs) bands (ev): -8.3620 -8.3620 -7.9585 -7.9585 1.1127 1.1127 1.7063 1.7063 1.9612 1.9612 2.0542 2.0542 2.4004 2.4004 2.7231 2.7231 2.9944 2.9944 3.3192 3.3192 3.6953 3.6953 3.8681 3.8681 5.5421 5.5421 5.6548 5.6548 6.3460 6.3460 6.9163 6.9163 7.6160 7.6160 8.4583 8.4583 12.3012 12.3012 13.8860 13.8860 15.0755 15.0755 15.8042 15.8042 k = 0.2619-0.4501 0.2921 ( 2210 PWs) bands (ev): -8.3634 -8.3634 -7.9643 -7.9643 1.1140 1.1140 1.7067 1.7067 1.9595 1.9595 2.0499 2.0499 2.3998 2.3998 2.7222 2.7222 2.9930 2.9930 3.3138 3.3138 3.6940 3.6940 3.8771 3.8771 5.5185 5.5185 5.6248 5.6248 6.3864 6.3864 6.9496 6.9496 7.6189 7.6189 8.4313 8.4313 12.2449 12.2449 13.9599 13.9599 15.0297 15.0297 15.8691 15.8691 k = 0.2564-0.4407 0.2921 ( 2214 PWs) bands (ev): -8.3649 -8.3649 -7.9706 -7.9706 1.1158 1.1158 1.7075 1.7075 1.9579 1.9579 2.0459 2.0459 2.3985 2.3985 2.7208 2.7208 2.9907 2.9907 3.3082 3.3082 3.6903 3.6903 3.8865 3.8865 5.4955 5.4955 5.5960 5.5960 6.4281 6.4281 6.9802 6.9802 7.6225 7.6225 8.4050 8.4050 12.1955 12.1955 14.0364 14.0364 14.9780 14.9780 15.9311 15.9311 k = 0.2510-0.4313 0.2921 ( 2208 PWs) bands (ev): -8.3664 -8.3664 -7.9774 -7.9774 1.1181 1.1181 1.7090 1.7090 1.9563 1.9563 2.0422 2.0422 2.3966 2.3966 2.7192 2.7192 2.9876 2.9876 3.3025 3.3025 3.6845 3.6845 3.8963 3.8963 5.4731 5.4731 5.5683 5.5683 6.4706 6.4706 7.0078 7.0078 7.6268 7.6268 8.3801 8.3801 12.1528 12.1528 14.1155 14.1155 14.9213 14.9213 15.9903 15.9903 k = 0.2455-0.4219 0.2921 ( 2210 PWs) bands (ev): -8.3679 -8.3679 -7.9847 -7.9847 1.1209 1.1209 1.7110 1.7110 1.9547 1.9547 2.0389 2.0389 2.3941 2.3941 2.7172 2.7172 2.9835 2.9835 3.2966 3.2966 3.6768 3.6768 3.9059 3.9059 5.4515 5.4515 5.5415 5.5415 6.5137 6.5137 7.0322 7.0322 7.6319 7.6319 8.3571 8.3571 12.1165 12.1165 14.1969 14.1969 14.8605 14.8605 16.0473 16.0473 k = 0.2400-0.4126 0.2921 ( 2210 PWs) bands (ev): -8.3694 -8.3694 -7.9925 -7.9925 1.1242 1.1242 1.7136 1.7136 1.9530 1.9530 2.0358 2.0358 2.3909 2.3909 2.7150 2.7150 2.9786 2.9786 3.2907 3.2907 3.6674 3.6674 3.9153 3.9153 5.4305 5.4305 5.5156 5.5156 6.5574 6.5574 7.0533 7.0533 7.6377 7.6377 8.3366 8.3366 12.0862 12.0862 14.2798 14.2798 14.7969 14.7969 16.1026 16.1026 k = 0.2346-0.4032 0.2921 ( 2214 PWs) bands (ev): -8.3710 -8.3710 -8.0008 -8.0008 1.1280 1.1280 1.7166 1.7166 1.9512 1.9512 2.0330 2.0330 2.3873 2.3873 2.7125 2.7125 2.9729 2.9729 3.2847 3.2847 3.6565 3.6565 3.9243 3.9243 5.4102 5.4102 5.4905 5.4905 6.6014 6.6014 7.0710 7.0710 7.6443 7.6443 8.3191 8.3191 12.0614 12.0614 14.3617 14.3617 14.7335 14.7335 16.1570 16.1570 k = 0.2291-0.3938 0.2921 ( 2214 PWs) bands (ev): -8.3726 -8.3726 -8.0096 -8.0096 1.1324 1.1324 1.7202 1.7202 1.9494 1.9494 2.0305 2.0305 2.3832 2.3832 2.7099 2.7099 2.9665 2.9665 3.2787 3.2787 3.6443 3.6443 3.9327 3.9327 5.3904 5.3904 5.4660 5.4660 6.6455 6.6455 7.0856 7.0856 7.6517 7.6517 8.3049 8.3049 12.0417 12.0417 14.4336 14.4336 14.6797 14.6797 16.2112 16.2112 k = 0.2237-0.3844 0.2921 ( 2214 PWs) bands (ev): -8.3743 -8.3743 -8.0188 -8.0188 1.1372 1.1372 1.7241 1.7241 1.9475 1.9475 2.0281 2.0281 2.3787 2.3787 2.7071 2.7071 2.9594 2.9594 3.2725 3.2725 3.6311 3.6311 3.9405 3.9405 5.3711 5.3711 5.4419 5.4419 6.6896 6.6896 7.0975 7.0975 7.6598 7.6598 8.2941 8.2941 12.0265 12.0265 14.4630 14.4630 14.6686 14.6686 16.2659 16.2659 k = 0.2182-0.3751 0.2921 ( 2214 PWs) bands (ev): -8.3759 -8.3759 -8.0285 -8.0285 1.1425 1.1425 1.7285 1.7285 1.9454 1.9454 2.0258 2.0258 2.3739 2.3739 2.7043 2.7043 2.9517 2.9517 3.2663 3.2663 3.6169 3.6169 3.9474 3.9474 5.3519 5.3519 5.4183 5.4183 6.7336 6.7336 7.1072 7.1072 7.6688 7.6688 8.2868 8.2868 12.0155 12.0155 14.4244 14.4244 14.7261 14.7261 16.3216 16.3216 k = 0.2128-0.3657 0.2921 ( 2214 PWs) bands (ev): -8.3776 -8.3776 -8.0386 -8.0386 1.1483 1.1483 1.7332 1.7332 1.9431 1.9431 2.0237 2.0237 2.3688 2.3688 2.7013 2.7013 2.9435 2.9435 3.2601 3.2601 3.6020 3.6020 3.9535 3.9535 5.3325 5.3325 5.3951 5.3951 6.7772 6.7772 7.1153 7.1153 7.6786 7.6786 8.2828 8.2828 12.0081 12.0081 14.3535 14.3535 14.8168 14.8168 16.3789 16.3789 k = 0.2073-0.3563 0.2921 ( 2214 PWs) bands (ev): -8.3793 -8.3793 -8.0490 -8.0490 1.1545 1.1545 1.7382 1.7382 1.9407 1.9407 2.0215 2.0215 2.3636 2.3636 2.6984 2.6984 2.9348 2.9348 3.2538 3.2538 3.5864 3.5864 3.9588 3.9588 5.3124 5.3124 5.3726 5.3726 6.8203 6.8203 7.1226 7.1226 7.6893 7.6893 8.2819 8.2819 12.0039 12.0039 14.2715 14.2715 14.9199 14.9199 16.4381 16.4381 k = 0.2019-0.3469 0.2921 ( 2210 PWs) bands (ev): -8.3810 -8.3810 -8.0598 -8.0598 1.1611 1.1611 1.7434 1.7434 1.9381 1.9381 2.0194 2.0194 2.3583 2.3583 2.6955 2.6955 2.9258 2.9258 3.2474 3.2474 3.5704 3.5704 3.9632 3.9632 5.2908 5.2908 5.3514 5.3514 6.8629 6.8629 7.1300 7.1300 7.7009 7.7009 8.2837 8.2837 12.0024 12.0024 14.1839 14.1839 15.0301 15.0301 16.4996 16.4996 k = 0.1964-0.3376 0.2921 ( 2210 PWs) bands (ev): -8.3828 -8.3828 -8.0710 -8.0710 1.1682 1.1682 1.7487 1.7487 1.9352 1.9352 2.0172 2.0172 2.3530 2.3530 2.6926 2.6926 2.9164 2.9164 3.2410 3.2410 3.5539 3.5539 3.9667 3.9667 5.2668 5.2668 5.3322 5.3322 6.9046 6.9046 7.1381 7.1381 7.7135 7.7135 8.2878 8.2878 12.0032 12.0032 14.0928 14.0928 15.1454 15.1454 16.5635 16.5635 k = 0.1909-0.3282 0.2921 ( 2212 PWs) bands (ev): -8.3845 -8.3845 -8.0824 -8.0824 1.1756 1.1756 1.7541 1.7541 1.9321 1.9321 2.0149 2.0149 2.3476 2.3476 2.6899 2.6899 2.9068 2.9068 3.2345 3.2345 3.5373 3.5373 3.9692 3.9692 5.2400 5.2400 5.3153 5.3153 6.9455 6.9455 7.1478 7.1478 7.7269 7.7269 8.2936 8.2936 12.0059 12.0059 13.9991 13.9991 15.2653 15.2653 16.6301 16.6301 k = 0.1855-0.3188 0.2921 ( 2212 PWs) bands (ev): -8.3863 -8.3863 -8.0941 -8.0941 1.1833 1.1833 1.7594 1.7594 1.9289 1.9289 2.0125 2.0125 2.3424 2.3424 2.6873 2.6873 2.8970 2.8970 3.2279 3.2279 3.5206 3.5206 3.9709 3.9709 5.2102 5.2102 5.3008 5.3008 6.9853 6.9853 7.1598 7.1598 7.7414 7.7414 8.3010 8.3010 12.0100 12.0100 13.9033 13.9033 15.3891 15.3891 16.6994 16.6994 k = 0.1800-0.3094 0.2921 ( 2212 PWs) bands (ev): -8.3881 -8.3881 -8.1060 -8.1060 1.1914 1.1914 1.7647 1.7647 1.9253 1.9253 2.0099 2.0099 2.3373 2.3373 2.6849 2.6849 2.8871 2.8871 3.2213 3.2213 3.5039 3.5039 3.9717 3.9717 5.1776 5.1776 5.2884 5.2884 7.0240 7.0240 7.1747 7.1747 7.7567 7.7567 8.3093 8.3093 12.0153 12.0153 13.8057 13.8057 15.5165 15.5165 16.7716 16.7716 k = 0.1746-0.3001 0.2921 ( 2212 PWs) bands (ev): -8.3899 -8.3899 -8.1180 -8.1180 1.1997 1.1997 1.7698 1.7698 1.9214 1.9214 2.0072 2.0072 2.3323 2.3323 2.6827 2.6827 2.8773 2.8773 3.2145 3.2145 3.4873 3.4873 3.9716 3.9716 5.1428 5.1428 5.2778 5.2778 7.0614 7.0614 7.1928 7.1928 7.7729 7.7729 8.3183 8.3183 12.0214 12.0214 13.7068 13.7068 15.6470 15.6470 16.8466 16.8466 k = 0.1691-0.2907 0.2921 ( 2216 PWs) bands (ev): -8.3917 -8.3917 -8.1303 -8.1303 1.2083 1.2083 1.7747 1.7747 1.9173 1.9173 2.0042 2.0042 2.3275 2.3275 2.6808 2.6808 2.8674 2.8674 3.2077 3.2077 3.4710 3.4710 3.9707 3.9707 5.1060 5.1060 5.2688 5.2688 7.0975 7.0975 7.2143 7.2143 7.7899 7.7899 8.3278 8.3278 12.0281 12.0281 13.6068 13.6068 15.7803 15.7803 16.9244 16.9244 k = 0.1637-0.2813 0.2921 ( 2214 PWs) bands (ev): -8.3935 -8.3935 -8.1426 -8.1426 1.2171 1.2171 1.7792 1.7792 1.9128 1.9128 2.0011 2.0011 2.3230 2.3230 2.6793 2.6793 2.8578 2.8578 3.2006 3.2006 3.4551 3.4551 3.9689 3.9689 5.0676 5.0676 5.2613 5.2613 7.1325 7.1325 7.2394 7.2394 7.8076 7.8076 8.3374 8.3374 12.0350 12.0350 13.5058 13.5058 15.9158 15.9158 17.0048 17.0048 k = 0.1582-0.2719 0.2921 ( 2212 PWs) bands (ev): -8.3953 -8.3953 -8.1550 -8.1550 1.2261 1.2261 1.7834 1.7834 1.9081 1.9081 1.9978 1.9978 2.3187 2.3187 2.6782 2.6782 2.8484 2.8484 3.1934 3.1934 3.4396 3.4396 3.9663 3.9663 5.0280 5.0280 5.2550 5.2550 7.1668 7.1668 7.2676 7.2676 7.8259 7.8259 8.3469 8.3469 12.0420 12.0420 13.4042 13.4042 16.0528 16.0528 17.0875 17.0875 k = 0.1528-0.2625 0.2921 ( 2210 PWs) bands (ev): -8.3971 -8.3971 -8.1675 -8.1675 1.2352 1.2352 1.7871 1.7871 1.9032 1.9032 1.9944 1.9944 2.3145 2.3145 2.6775 2.6775 2.8392 2.8392 3.1860 3.1860 3.4247 3.4247 3.9629 3.9629 4.9876 4.9876 5.2500 5.2500 7.2008 7.2008 7.2985 7.2985 7.8448 7.8448 8.3562 8.3562 12.0488 12.0488 13.3021 13.3021 16.1908 16.1908 17.1722 17.1722 k = 0.1473-0.2532 0.2921 ( 2212 PWs) bands (ev): -8.3989 -8.3989 -8.1799 -8.1799 1.2445 1.2445 1.7903 1.7903 1.8979 1.8979 1.9907 1.9907 2.3106 2.3106 2.6772 2.6772 2.8304 2.8304 3.1781 3.1781 3.4105 3.4105 3.9587 3.9587 4.9467 4.9467 5.2460 5.2460 7.2350 7.2350 7.3316 7.3316 7.8640 7.8640 8.3651 8.3651 12.0553 12.0554 13.1997 13.1997 16.3289 16.3289 17.2579 17.2579 k = 0.1418-0.2438 0.2921 ( 2214 PWs) bands (ev): -8.4006 -8.4006 -8.1923 -8.1923 1.2538 1.2538 1.7929 1.7929 1.8925 1.8925 1.9868 1.9868 2.3068 2.3068 2.6774 2.6774 2.8220 2.8220 3.1699 3.1699 3.3970 3.3970 3.9538 3.9538 4.9057 4.9057 5.2431 5.2431 7.2697 7.2697 7.3664 7.3664 7.8835 7.8835 8.3736 8.3736 12.0614 12.0614 13.0974 13.0974 16.4661 16.4661 17.3435 17.3435 k = 0.1364-0.2344 0.2921 ( 2212 PWs) bands (ev): -8.4024 -8.4024 -8.2046 -8.2046 1.2631 1.2631 1.7950 1.7950 1.8869 1.8869 1.9828 1.9828 2.3033 2.3033 2.6782 2.6782 2.8142 2.8142 3.1612 3.1612 3.3844 3.3844 3.9482 3.9482 4.8649 4.8649 5.2411 5.2411 7.3050 7.3050 7.4025 7.4025 7.9031 7.9031 8.3816 8.3816 12.0669 12.0669 12.9951 12.9951 16.6014 16.6014 17.4269 17.4269 k = 0.1309-0.2250 0.2921 ( 2208 PWs) bands (ev): -8.4041 -8.4041 -8.2168 -8.2168 1.2723 1.2723 1.7964 1.7964 1.8813 1.8813 1.9786 1.9786 2.2999 2.2999 2.6795 2.6795 2.8069 2.8069 3.1519 3.1519 3.3728 3.3728 3.9418 3.9418 4.8248 4.8248 5.2400 5.2400 7.3411 7.3411 7.4399 7.4399 7.9228 7.9228 8.3890 8.3890 12.0717 12.0717 12.8933 12.8933 16.7336 16.7336 17.5048 17.5048 k = 0.1255-0.2157 0.2921 ( 2208 PWs) bands (ev): -8.4058 -8.4058 -8.2288 -8.2288 1.2815 1.2815 1.7973 1.7973 1.8756 1.8756 1.9742 1.9742 2.2966 2.2966 2.6813 2.6813 2.8001 2.8001 3.1419 3.1419 3.3621 3.3621 3.9348 3.9348 4.7856 4.7856 5.2397 5.2397 7.3778 7.3778 7.4782 7.4782 7.9424 7.9424 8.3958 8.3958 12.0757 12.0757 12.7921 12.7921 16.8614 16.8614 17.5728 17.5728 k = 0.1200-0.2063 0.2921 ( 2210 PWs) bands (ev): -8.4075 -8.4075 -8.2406 -8.2406 1.2906 1.2906 1.7974 1.7974 1.8701 1.8701 1.9697 1.9697 2.2934 2.2934 2.6835 2.6835 2.7939 2.7939 3.1313 3.1313 3.3525 3.3525 3.9271 3.9271 4.7475 4.7475 5.2401 5.2401 7.4149 7.4149 7.5174 7.5174 7.9618 7.9618 8.4020 8.4020 12.0789 12.0789 12.6917 12.6917 16.9833 16.9833 17.6257 17.6257 k = 0.1146-0.1969 0.2921 ( 2212 PWs) bands (ev): -8.4091 -8.4091 -8.2522 -8.2522 1.2995 1.2995 1.7970 1.7970 1.8647 1.8647 1.9649 1.9649 2.2904 2.2904 2.6862 2.6862 2.7883 2.7883 3.1199 3.1199 3.3439 3.3439 3.9189 3.9189 4.7110 4.7110 5.2412 5.2412 7.4524 7.4524 7.5575 7.5575 7.9808 7.9808 8.4076 8.4076 12.0811 12.0811 12.5925 12.5925 17.0978 17.0978 17.6597 17.6597 k = 0.1091-0.1875 0.2921 ( 2214 PWs) bands (ev): -8.4107 -8.4107 -8.2636 -8.2636 1.3082 1.3082 1.7960 1.7960 1.8595 1.8595 1.9598 1.9598 2.2875 2.2875 2.6895 2.6895 2.7834 2.7834 3.1077 3.1077 3.3362 3.3362 3.9101 3.9101 4.6761 4.6761 5.2428 5.2428 7.4900 7.4900 7.5982 7.5982 7.9993 7.9993 8.4126 8.4126 12.0824 12.0824 12.4947 12.4947 17.2024 17.2024 17.6758 17.6758 k = 0.1037-0.1782 0.2921 ( 2212 PWs) bands (ev): -8.4123 -8.4123 -8.2746 -8.2746 1.3165 1.3165 1.7945 1.7945 1.8547 1.8547 1.9546 1.9546 2.2849 2.2849 2.6931 2.6931 2.7792 2.7792 3.0949 3.0949 3.3296 3.3296 3.9008 3.9008 4.6430 4.6430 5.2450 5.2450 7.5276 7.5276 7.6396 7.6396 8.0174 8.0174 8.4170 8.4170 12.0825 12.0825 12.3988 12.3988 17.2931 17.2931 17.6804 17.6804 k = 0.0982-0.1688 0.2921 ( 2208 PWs) bands (ev): -8.4138 -8.4138 -8.2852 -8.2852 1.3246 1.3246 1.7927 1.7927 1.8502 1.8502 1.9492 1.9492 2.2824 2.2824 2.6971 2.6971 2.7756 2.7756 3.0814 3.0814 3.3238 3.3238 3.8912 3.8912 4.6120 4.6120 5.2476 5.2476 7.5651 7.5651 7.6814 7.6814 8.0347 8.0347 8.4209 8.4209 12.0811 12.0811 12.3055 12.3055 17.3629 17.3629 17.6855 17.6855 k = 0.0927-0.1594 0.2921 ( 2212 PWs) bands (ev): -8.4152 -8.4152 -8.2955 -8.2955 1.3322 1.3322 1.7905 1.7905 1.8461 1.8461 1.9436 1.9436 2.2801 2.2801 2.7014 2.7014 2.7725 2.7725 3.0673 3.0673 3.3189 3.3189 3.8813 3.8813 4.5831 4.5831 5.2505 5.2505 7.6023 7.6023 7.7234 7.7234 8.0514 8.0514 8.4241 8.4241 12.0767 12.0767 12.2164 12.2164 17.4020 17.4020 17.7057 17.7057 k = 0.0873-0.1500 0.2921 ( 2204 PWs) bands (ev): -8.4166 -8.4166 -8.3054 -8.3054 1.3395 1.3395 1.7883 1.7883 1.8423 1.8423 1.9378 1.9378 2.2781 2.2781 2.7060 2.7060 2.7701 2.7701 3.0527 3.0527 3.3147 3.3147 3.8711 3.8711 4.5563 4.5563 5.2537 5.2537 7.6392 7.6392 7.7654 7.7654 8.0672 8.0672 8.4269 8.4269 12.0620 12.0620 12.1393 12.1393 17.4075 17.4075 17.7474 17.7474 k = 0.0818-0.1406 0.2921 ( 2204 PWs) bands (ev): -8.4180 -8.4180 -8.3149 -8.3149 1.3462 1.3462 1.7859 1.7859 1.8389 1.8389 1.9318 1.9318 2.2764 2.2764 2.7108 2.7108 2.7683 2.7683 3.0375 3.0375 3.3111 3.3111 3.8609 3.8609 4.5317 4.5317 5.2571 5.2571 7.6756 7.6756 7.8069 7.8069 8.0821 8.0821 8.4291 8.4291 12.0109 12.0109 12.1006 12.1006 17.3893 17.3893 17.8035 17.8035 k = 0.0764-0.1313 0.2921 ( 2206 PWs) bands (ev): -8.4193 -8.4193 -8.3239 -8.3239 1.3524 1.3524 1.7837 1.7837 1.8358 1.8358 1.9256 1.9256 2.2749 2.2749 2.7157 2.7157 2.7669 2.7669 3.0221 3.0221 3.3081 3.3081 3.8507 3.8507 4.5092 4.5092 5.2606 5.2606 7.7115 7.7115 7.8478 7.8478 8.0960 8.0960 8.4308 8.4308 11.9346 11.9346 12.0895 12.0895 17.3585 17.3585 17.8647 17.8647 k = 0.0709-0.1219 0.2921 ( 2206 PWs) bands (ev): -8.4205 -8.4205 -8.3324 -8.3324 1.3581 1.3581 1.7816 1.7816 1.8330 1.8330 1.9193 1.9193 2.2737 2.2737 2.7208 2.7208 2.7661 2.7661 3.0063 3.0063 3.3056 3.3056 3.8407 3.8407 4.4889 4.4889 5.2642 5.2642 7.7466 7.7466 7.8878 7.8878 8.1089 8.1089 8.4321 8.4321 11.8559 11.8559 12.0837 12.0837 17.3222 17.3222 17.9256 17.9256 k = 0.0655-0.1125 0.2921 ( 2204 PWs) bands (ev): -8.4216 -8.4216 -8.3403 -8.3403 1.3632 1.3632 1.7799 1.7799 1.8306 1.8306 1.9129 1.9129 2.2728 2.2728 2.7259 2.7259 2.7659 2.7659 2.9905 2.9905 3.3035 3.3035 3.8310 3.8310 4.4706 4.4706 5.2679 5.2679 7.7810 7.7810 7.9265 7.9265 8.1207 8.1207 8.4329 8.4329 11.7793 11.7793 12.0791 12.0791 17.2838 17.2838 17.9836 17.9836 k = 0.0600-0.1031 0.2921 ( 2198 PWs) bands (ev): -8.4227 -8.4227 -8.3477 -8.3477 1.3678 1.3678 1.7784 1.7784 1.8286 1.8286 1.9064 1.9064 2.2723 2.2723 2.7310 2.7310 2.7661 2.7661 2.9746 2.9746 3.3017 3.3017 3.8216 3.8216 4.4543 4.4543 5.2715 5.2715 7.8143 7.8143 7.9638 7.9638 8.1315 8.1315 8.4333 8.4333 11.7063 11.7063 12.0747 12.0747 17.2455 17.2455 18.0374 18.0374 k = 0.0546-0.0938 0.2921 ( 2200 PWs) bands (ev): -8.4236 -8.4236 -8.3546 -8.3546 1.3718 1.3718 1.7773 1.7773 1.8269 1.8269 1.8999 1.8999 2.2719 2.2719 2.7358 2.7358 2.7669 2.7669 2.9587 2.9587 3.3002 3.3002 3.8128 3.8128 4.4399 4.4399 5.2749 5.2749 7.8465 7.8465 7.9991 7.9991 8.1410 8.1410 8.4333 8.4333 11.6375 11.6375 12.0705 12.0705 17.2084 17.2084 18.0866 18.0866 k = 0.0491-0.0844 0.2921 ( 2194 PWs) bands (ev): -8.4245 -8.4245 -8.3609 -8.3609 1.3752 1.3752 1.7766 1.7766 1.8257 1.8257 1.8934 1.8934 2.2719 2.2719 2.7404 2.7404 2.7685 2.7685 2.9431 2.9431 3.2990 3.2990 3.8045 3.8045 4.4272 4.4272 5.2782 5.2782 7.8771 7.8771 8.0322 8.0322 8.1494 8.1494 8.4330 8.4330 11.5734 11.5734 12.0664 12.0664 17.1735 17.1735 18.1308 18.1308 k = 0.0436-0.0750 0.2921 ( 2196 PWs) bands (ev): -8.4253 -8.4253 -8.3665 -8.3665 1.3781 1.3781 1.7760 1.7760 1.8250 1.8250 1.8869 1.8869 2.2720 2.2720 2.7445 2.7445 2.7708 2.7708 2.9278 2.9278 3.2980 3.2980 3.7969 3.7969 4.4162 4.4162 5.2813 5.2813 7.9061 7.9061 8.0629 8.0629 8.1567 8.1567 8.4322 8.4322 11.5144 11.5144 12.0623 12.0623 17.1412 17.1412 18.1700 18.1700 k = 0.0382-0.0656 0.2921 ( 2202 PWs) bands (ev): -8.4261 -8.4261 -8.3716 -8.3716 1.3806 1.3806 1.7757 1.7757 1.8247 1.8247 1.8804 1.8804 2.2723 2.2723 2.7479 2.7479 2.7740 2.7740 2.9129 2.9129 3.2971 3.2971 3.7901 3.7901 4.4067 4.4067 5.2841 5.2841 7.9330 7.9330 8.0907 8.0907 8.1628 8.1628 8.4312 8.4312 11.4612 11.4612 12.0585 12.0585 17.1119 17.1119 18.2043 18.2043 k = 0.0327-0.0563 0.2921 ( 2200 PWs) bands (ev): -8.4267 -8.4267 -8.3760 -8.3760 1.3825 1.3825 1.7756 1.7756 1.8251 1.8251 1.8742 1.8742 2.2727 2.2727 2.7507 2.7507 2.7784 2.7784 2.8986 2.8986 3.2964 3.2964 3.7841 3.7841 4.3988 4.3988 5.2867 5.2867 7.9576 7.9576 8.1153 8.1153 8.1681 8.1681 8.4299 8.4299 11.4140 11.4140 12.0549 12.0549 17.0861 17.0861 18.2337 18.2337 k = 0.0273-0.0469 0.2921 ( 2194 PWs) bands (ev): -8.4272 -8.4272 -8.3797 -8.3797 1.3841 1.3841 1.7757 1.7757 1.8262 1.8262 1.8682 1.8682 2.2733 2.2733 2.7527 2.7527 2.7837 2.7837 2.8848 2.8848 3.2959 3.2959 3.7789 3.7789 4.3922 4.3922 5.2889 5.2889 7.9796 7.9796 8.1358 8.1358 8.1731 8.1731 8.4286 8.4286 11.3733 11.3733 12.0518 12.0518 17.0639 17.0639 18.2583 18.2583 k = 0.0218-0.0375 0.2921 ( 2198 PWs) bands (ev): -8.4277 -8.4277 -8.3828 -8.3828 1.3854 1.3854 1.7758 1.7758 1.8279 1.8279 1.8623 1.8623 2.2738 2.2738 2.7541 2.7541 2.7898 2.7898 2.8718 2.8718 3.2954 3.2954 3.7747 3.7747 4.3869 4.3869 5.2907 5.2907 7.9985 7.9985 8.1511 8.1511 8.1786 8.1786 8.4271 8.4271 11.3394 11.3394 12.0491 12.0491 17.0454 17.0454 18.2782 18.2782 k = 0.0164-0.0281 0.2921 ( 2202 PWs) bands (ev): -8.4280 -8.4280 -8.3852 -8.3852 1.3863 1.3863 1.7759 1.7759 1.8301 1.8301 1.8567 1.8567 2.2742 2.2742 2.7550 2.7550 2.7965 2.7965 2.8597 2.8597 3.2951 3.2951 3.7713 3.7713 4.3828 4.3828 5.2922 5.2922 8.0138 8.0138 8.1602 8.1602 8.1857 8.1857 8.4258 8.4258 11.3127 11.3127 12.0469 12.0469 17.0310 17.0310 18.2936 18.2936 k = 0.0109-0.0188 0.2921 ( 2206 PWs) bands (ev): -8.4283 -8.4283 -8.3869 -8.3869 1.3869 1.3869 1.7759 1.7759 1.8328 1.8328 1.8515 1.8515 2.2745 2.2745 2.7557 2.7557 2.8037 2.8037 2.8487 2.8487 3.2948 3.2948 3.7689 3.7689 4.3800 4.3800 5.2932 5.2932 8.0253 8.0253 8.1643 8.1643 8.1931 8.1931 8.4247 8.4247 11.2934 11.2934 12.0452 12.0452 17.0206 17.0206 18.3045 18.3045 k = 0.0055-0.0094 0.2921 ( 2208 PWs) bands (ev): -8.4284 -8.4284 -8.3879 -8.3879 1.3873 1.3873 1.7759 1.7759 1.8358 1.8358 1.8471 1.8471 2.2747 2.2747 2.7560 2.7560 2.8104 2.8104 2.8397 2.8397 3.2947 3.2947 3.7675 3.7675 4.3783 4.3783 5.2939 5.2939 8.0324 8.0324 8.1660 8.1660 8.1983 8.1983 8.4239 8.4239 11.2818 11.2818 12.0442 12.0442 17.0143 17.0143 18.3111 18.3111 k = 0.0000 0.0000 0.2921 ( 2210 PWs) bands (ev): -8.4285 -8.4285 -8.3883 -8.3883 1.3874 1.3874 1.7759 1.7759 1.8377 1.8377 1.8448 1.8448 2.2747 2.2747 2.7561 2.7561 2.8139 2.8139 2.8354 2.8354 3.2946 3.2946 3.7670 3.7670 4.3777 4.3777 5.2941 5.2941 8.0347 8.0347 8.1664 8.1664 8.2001 8.2001 8.4237 8.4237 11.2779 11.2779 12.0440 12.0440 17.0122 17.0122 18.3132 18.3132 k = 0.0000 0.0000 0.2921 ( 2210 PWs) bands (ev): -8.4285 -8.4285 -8.3883 -8.3883 1.3874 1.3874 1.7759 1.7759 1.8377 1.8377 1.8448 1.8448 2.2747 2.2747 2.7561 2.7561 2.8139 2.8139 2.8354 2.8354 3.2946 3.2946 3.7670 3.7670 4.3777 4.3777 5.2941 5.2941 8.0347 8.0347 8.1664 8.1664 8.2001 8.2001 8.4237 8.4237 11.2779 11.2779 12.0440 12.0440 17.0122 17.0122 18.3132 18.3132 k = 0.0093 0.0054 0.2921 ( 2212 PWs) bands (ev): -8.4295 -8.4295 -8.3868 -8.3868 1.3863 1.3863 1.7766 1.7766 1.8378 1.8378 1.8449 1.8449 2.2744 2.2744 2.7555 2.7555 2.8075 2.8075 2.8434 2.8434 3.2949 3.2949 3.7671 3.7671 4.3783 4.3783 5.2947 5.2947 8.0327 8.0327 8.1469 8.1469 8.2164 8.2164 8.4235 8.4235 11.2804 11.2804 12.0469 12.0469 17.0137 17.0137 18.3109 18.3109 k = 0.0187 0.0109 0.2921 ( 2205 PWs) bands (ev): -8.4322 -8.4322 -8.3828 -8.3828 1.3831 1.3831 1.7790 1.7790 1.8382 1.8382 1.8455 1.8455 2.2736 2.2736 2.7535 2.7535 2.7974 2.7974 2.8584 2.8584 3.2959 3.2959 3.7677 3.7677 4.3800 4.3800 5.2968 5.2968 8.0253 8.0253 8.1159 8.1159 8.2393 8.2393 8.4228 8.4228 11.2880 11.2880 12.0557 12.0557 17.0182 17.0182 18.3038 18.3038 k = 0.0280 0.0163 0.2921 ( 2207 PWs) bands (ev): -8.4359 -8.4359 -8.3770 -8.3770 1.3779 1.3779 1.7825 1.7825 1.8388 1.8388 1.8464 1.8464 2.2722 2.2722 2.7498 2.7498 2.7886 2.7886 2.8755 2.8755 3.2976 3.2976 3.7685 3.7685 4.3830 4.3830 5.3001 5.3001 8.0077 8.0077 8.0878 8.0878 8.2592 8.2592 8.4217 8.4217 11.3003 11.3003 12.0703 12.0703 17.0257 17.0257 18.2918 18.2918 k = 0.0373 0.0217 0.2921 ( 2205 PWs) bands (ev): -8.4400 -8.4400 -8.3699 -8.3699 1.3707 1.3707 1.7872 1.7872 1.8398 1.8398 1.8476 1.8476 2.2705 2.2705 2.7442 2.7442 2.7820 2.7820 2.8939 2.8939 3.2999 3.2999 3.7697 3.7697 4.3871 4.3871 5.3047 5.3047 7.9748 7.9748 8.0690 8.0690 8.2753 8.2753 8.4202 8.4202 11.3172 11.3172 12.0907 12.0907 17.0361 17.0361 18.2749 18.2749 k = 0.0467 0.0272 0.2921 ( 2200 PWs) bands (ev): -8.4441 -8.4441 -8.3620 -8.3620 1.3618 1.3618 1.7930 1.7930 1.8410 1.8410 1.8494 1.8494 2.2686 2.2686 2.7369 2.7369 2.7775 2.7775 2.9131 2.9131 3.3029 3.3029 3.7713 3.7713 4.3925 4.3925 5.3108 5.3108 7.9288 7.9288 8.0579 8.0579 8.2875 8.2875 8.4184 8.4184 11.3382 11.3382 12.1168 12.1168 17.0495 17.0495 18.2528 18.2528 k = 0.0560 0.0326 0.2921 ( 2198 PWs) bands (ev): -8.4480 -8.4480 -8.3534 -8.3534 1.3513 1.3513 1.7993 1.7993 1.8428 1.8428 1.8518 1.8518 2.2667 2.2667 2.7286 2.7286 2.7744 2.7744 2.9331 2.9331 3.3064 3.3064 3.7731 3.7731 4.3991 4.3991 5.3182 5.3182 7.8744 7.8744 8.0501 8.0501 8.2960 8.2960 8.4160 8.4160 11.3628 11.3628 12.1485 12.1485 17.0657 17.0657 18.2254 18.2254 k = 0.0653 0.0380 0.2921 ( 2196 PWs) bands (ev): -8.4516 -8.4516 -8.3443 -8.3443 1.3394 1.3394 1.8056 1.8056 1.8450 1.8450 1.8550 1.8550 2.2648 2.2648 2.7197 2.7197 2.7723 2.7723 2.9534 2.9534 3.3106 3.3106 3.7752 3.7752 4.4071 4.4071 5.3271 5.3271 7.8142 7.8142 8.0434 8.0434 8.3009 8.3009 8.4133 8.4133 11.3905 11.3905 12.1856 12.1856 17.0847 17.0847 18.1922 18.1922 k = 0.0747 0.0434 0.2921 ( 2201 PWs) bands (ev): -8.4548 -8.4548 -8.3348 -8.3348 1.3263 1.3263 1.8114 1.8114 1.8478 1.8478 1.8594 1.8594 2.2631 2.2631 2.7105 2.7105 2.7706 2.7706 2.9738 2.9738 3.3153 3.3153 3.7776 3.7776 4.4165 4.4165 5.3375 5.3375 7.7497 7.7497 8.0367 8.0367 8.3027 8.3027 8.4102 8.4102 11.4209 11.4209 12.2279 12.2279 17.1063 17.1063 18.1532 18.1532 k = 0.0840 0.0489 0.2921 ( 2205 PWs) bands (ev): -8.4577 -8.4577 -8.3249 -8.3249 1.3123 1.3123 1.8163 1.8163 1.8508 1.8508 1.8657 1.8657 2.2619 2.2619 2.7011 2.7011 2.7693 2.7693 2.9941 2.9941 3.3206 3.3206 3.7803 3.7803 4.4273 4.4273 5.3495 5.3495 7.6816 7.6816 8.0298 8.0298 8.3016 8.3016 8.4066 8.4066 11.4532 11.4532 12.2752 12.2752 17.1305 17.1305 18.1079 18.1079 k = 0.0933 0.0543 0.2921 ( 2207 PWs) bands (ev): -8.4601 -8.4601 -8.3147 -8.3147 1.2975 1.2975 1.8200 1.8200 1.8539 1.8539 1.8741 1.8741 2.2612 2.2612 2.6917 2.6917 2.7682 2.7682 3.0141 3.0141 3.3263 3.3263 3.7831 3.7831 4.4395 4.4395 5.3630 5.3630 7.6105 7.6105 8.0223 8.0223 8.2981 8.2981 8.4028 8.4028 11.4872 11.4872 12.3273 12.3273 17.1569 17.1569 18.0564 18.0564 k = 0.1027 0.0597 0.2921 ( 2202 PWs) bands (ev): -8.4621 -8.4621 -8.3042 -8.3042 1.2822 1.2822 1.8226 1.8226 1.8571 1.8571 1.8844 1.8844 2.2612 2.2612 2.6823 2.6823 2.7674 2.7674 3.0337 3.0337 3.3325 3.3325 3.7862 3.7862 4.4532 4.4532 5.3783 5.3783 7.5369 7.5369 8.0143 8.0143 8.2923 8.2923 8.3986 8.3986 11.5222 11.5222 12.3838 12.3838 17.1853 17.1853 17.9984 17.9984 k = 0.1120 0.0652 0.2921 ( 2200 PWs) bands (ev): -8.4637 -8.4637 -8.2935 -8.2935 1.2666 1.2666 1.8243 1.8243 1.8601 1.8601 1.8963 1.8963 2.2618 2.2618 2.6728 2.6728 2.7668 2.7668 3.0527 3.0527 3.3391 3.3391 3.7895 3.7895 4.4682 4.4682 5.3953 5.3953 7.4613 7.4613 8.0056 8.0056 8.2847 8.2847 8.3941 8.3941 11.5578 11.5578 12.4445 12.4445 17.2150 17.2150 17.9343 17.9343 k = 0.1213 0.0706 0.2921 ( 2200 PWs) bands (ev): -8.4648 -8.4648 -8.2826 -8.2826 1.2508 1.2508 1.8255 1.8255 1.8631 1.8631 1.9094 1.9094 2.2632 2.2632 2.6632 2.6632 2.7665 2.7665 3.0709 3.0709 3.3460 3.3460 3.7929 3.7929 4.4846 4.4846 5.4141 5.4141 7.3841 7.3841 7.9962 7.9962 8.2754 8.2754 8.3894 8.3894 11.5937 11.5937 12.5088 12.5088 17.2450 17.2450 17.8648 17.8648 k = 0.1307 0.0760 0.2921 ( 2204 PWs) bands (ev): -8.4654 -8.4654 -8.2715 -8.2715 1.2351 1.2351 1.8261 1.8261 1.8661 1.8661 1.9232 1.9232 2.2653 2.2653 2.6535 2.6535 2.7663 2.7663 3.0882 3.0882 3.3530 3.3530 3.7964 3.7964 4.5023 4.5023 5.4348 5.4348 7.3057 7.3057 7.9861 7.9861 8.2648 8.2648 8.3844 8.3844 11.6296 11.6296 12.5764 12.5764 17.2736 17.2736 17.7916 17.7916 k = 0.1400 0.0815 0.2921 ( 2208 PWs) bands (ev): -8.4657 -8.4657 -8.2603 -8.2603 1.2195 1.2195 1.8265 1.8265 1.8690 1.8690 1.9375 1.9375 2.2681 2.2681 2.6437 2.6437 2.7664 2.7664 3.1046 3.1046 3.3602 3.3602 3.8001 3.8001 4.5211 4.5211 5.4575 5.4575 7.2265 7.2265 7.9753 7.9753 8.2531 8.2531 8.3793 8.3793 11.6650 11.6650 12.6470 12.6470 17.2966 17.2966 17.7185 17.7185 k = 0.1493 0.0869 0.2921 ( 2208 PWs) bands (ev): -8.4654 -8.4654 -8.2490 -8.2490 1.2043 1.2043 1.8266 1.8266 1.8718 1.8718 1.9523 1.9523 2.2718 2.2718 2.6338 2.6338 2.7668 2.7668 3.1201 3.1201 3.3675 3.3675 3.8039 3.8039 4.5409 4.5409 5.4821 5.4821 7.1471 7.1471 7.9638 7.9638 8.2406 8.2406 8.3739 8.3739 11.6998 11.6998 12.7201 12.7201 17.3057 17.3057 17.6541 17.6541 k = 0.1587 0.0923 0.2921 ( 2208 PWs) bands (ev): -8.4648 -8.4648 -8.2376 -8.2376 1.1897 1.1897 1.8265 1.8265 1.8745 1.8745 1.9672 1.9672 2.2761 2.2761 2.6239 2.6239 2.7676 2.7676 3.1346 3.1346 3.3746 3.3746 3.8078 3.8078 4.5616 4.5616 5.5089 5.5089 7.0677 7.0677 7.9516 7.9516 8.2275 8.2275 8.3684 8.3684 11.7337 11.7337 12.7953 12.7953 17.2861 17.2861 17.6133 17.6133 k = 0.1680 0.0978 0.2921 ( 2207 PWs) bands (ev): -8.4637 -8.4637 -8.2261 -8.2261 1.1757 1.1757 1.8263 1.8263 1.8771 1.8771 1.9821 1.9821 2.2812 2.2812 2.6139 2.6139 2.7687 2.7687 3.1482 3.1482 3.3816 3.3816 3.8119 3.8119 4.5831 4.5831 5.5376 5.5376 6.9888 6.9888 7.9388 7.9388 8.2141 8.2141 8.3629 8.3629 11.7666 11.7666 12.8722 12.8722 17.2278 17.2278 17.6064 17.6064 k = 0.1773 0.1032 0.2921 ( 2207 PWs) bands (ev): -8.4622 -8.4622 -8.2147 -8.2147 1.1625 1.1625 1.8259 1.8259 1.8795 1.8795 1.9967 1.9967 2.2870 2.2870 2.6038 2.6038 2.7702 2.7702 3.1608 3.1608 3.3883 3.3883 3.8162 3.8162 4.6051 4.6051 5.5684 5.5684 6.9109 6.9109 7.9253 7.9253 8.2004 8.2004 8.3571 8.3571 11.7982 11.7982 12.9502 12.9502 17.1384 17.1384 17.6262 17.6262 k = 0.1867 0.1086 0.2921 ( 2210 PWs) bands (ev): -8.4603 -8.4603 -8.2033 -8.2033 1.1503 1.1503 1.8253 1.8253 1.8818 1.8818 2.0111 2.0111 2.2934 2.2934 2.5937 2.5937 2.7721 2.7721 3.1724 3.1724 3.3946 3.3946 3.8207 3.8207 4.6274 4.6274 5.6010 5.6010 6.8343 6.8343 7.9112 7.9112 8.1866 8.1866 8.3513 8.3513 11.8285 11.8285 13.0290 13.0290 17.0303 17.0303 17.6608 17.6608 k = 0.1960 0.1140 0.2921 ( 2208 PWs) bands (ev): -8.4580 -8.4580 -8.1920 -8.1920 1.1391 1.1391 1.8247 1.8247 1.8838 1.8838 2.0249 2.0249 2.3005 2.3005 2.5837 2.5837 2.7745 2.7745 3.1832 3.1832 3.4004 3.4004 3.8255 3.8255 4.6500 4.6500 5.6353 5.6353 6.7596 6.7596 7.8966 7.8966 8.1730 8.1730 8.3455 8.3455 11.8572 11.8572 13.1080 13.1080 16.9110 16.9110 17.7032 17.7032 k = 0.2053 0.1195 0.2921 ( 2214 PWs) bands (ev): -8.4554 -8.4554 -8.1808 -8.1808 1.1289 1.1289 1.8239 1.8239 1.8856 1.8856 2.0381 2.0381 2.3081 2.3081 2.5737 2.5737 2.7773 2.7773 3.1929 3.1929 3.4056 3.4056 3.8304 3.8304 4.6726 4.6726 5.6711 5.6711 6.6873 6.6873 7.8814 7.8814 8.1596 8.1596 8.3395 8.3395 11.8843 11.8843 13.1868 13.1868 16.7845 16.7845 17.7497 17.7497 k = 0.2147 0.1249 0.2921 ( 2218 PWs) bands (ev): -8.4525 -8.4525 -8.1697 -8.1697 1.1200 1.1200 1.8230 1.8230 1.8872 1.8872 2.0505 2.0505 2.3162 2.3162 2.5637 2.5637 2.7807 2.7807 3.2017 3.2017 3.4100 3.4100 3.8357 3.8357 4.6953 4.6953 5.7078 5.7078 6.6182 6.6182 7.8658 7.8658 8.1466 8.1466 8.3335 8.3335 11.9096 11.9096 13.2647 13.2647 16.6533 16.6533 17.7984 17.7984 k = 0.2240 0.1303 0.2921 ( 2221 PWs) bands (ev): -8.4492 -8.4492 -8.1587 -8.1587 1.1124 1.1124 1.8220 1.8220 1.8885 1.8885 2.0620 2.0620 2.3249 2.3249 2.5539 2.5539 2.7846 2.7846 3.2095 3.2095 3.4136 3.4136 3.8413 3.8413 4.7178 4.7178 5.7450 5.7450 6.5529 6.5529 7.8498 7.8498 8.1341 8.1341 8.3275 8.3275 11.9332 11.9332 13.3413 13.3413 16.5191 16.5191 17.8479 17.8479 k = 0.2333 0.1358 0.2921 ( 2216 PWs) bands (ev): -8.4456 -8.4456 -8.1479 -8.1479 1.1061 1.1061 1.8210 1.8210 1.8896 1.8896 2.0726 2.0726 2.3341 2.3341 2.5444 2.5444 2.7892 2.7892 3.2165 3.2165 3.4163 3.4163 3.8472 3.8472 4.7403 4.7403 5.7816 5.7816 6.4926 6.4926 7.8335 7.8335 8.1222 8.1222 8.3214 8.3214 11.9549 11.9549 13.4158 13.4158 16.3836 16.3836 17.8967 17.8967 k = 0.2427 0.1412 0.2921 ( 2218 PWs) bands (ev): -8.4417 -8.4417 -8.1373 -8.1373 1.1012 1.1012 1.8198 1.8198 1.8904 1.8904 2.0820 2.0820 2.3436 2.3436 2.5351 2.5351 2.7942 2.7942 3.2224 3.2224 3.4180 3.4180 3.8534 3.8534 4.7625 4.7625 5.8164 5.8164 6.4387 6.4387 7.8169 7.8169 8.1110 8.1110 8.3153 8.3153 11.9748 11.9748 13.4873 13.4873 16.2481 16.2481 17.9436 17.9436 k = 0.2520 0.1466 0.2921 ( 2216 PWs) bands (ev): -8.4376 -8.4376 -8.1270 -8.1270 1.0977 1.0977 1.8187 1.8187 1.8909 1.8909 2.0903 2.0903 2.3535 2.3535 2.5260 2.5260 2.7997 2.7997 3.2273 3.2273 3.4184 3.4184 3.8599 3.8599 4.7846 4.7846 5.8475 5.8475 6.3931 6.3931 7.8001 7.8001 8.1006 8.1006 8.3093 8.3093 11.9927 11.9927 13.5551 13.5551 16.1141 16.1141 17.9867 17.9867 k = 0.2613 0.1521 0.2921 ( 2214 PWs) bands (ev): -8.4333 -8.4333 -8.1169 -8.1169 1.0957 1.0957 1.8175 1.8175 1.8911 1.8911 2.0975 2.0975 2.3637 2.3637 2.5173 2.5173 2.8058 2.8058 3.2312 3.2312 3.4176 3.4176 3.8667 3.8667 4.8065 4.8065 5.8723 5.8723 6.3584 6.3584 7.7831 7.7831 8.0911 8.0911 8.3032 8.3032 12.0088 12.0088 13.6179 13.6179 15.9831 15.9831 18.0237 18.0237 k = 0.2707 0.1575 0.2921 ( 2218 PWs) bands (ev): -8.4287 -8.4287 -8.1071 -8.1071 1.0950 1.0950 1.8163 1.8163 1.8911 1.8911 2.1034 2.1034 2.3741 2.3741 2.5090 2.5090 2.8123 2.8123 3.2340 3.2340 3.4154 3.4154 3.8738 3.8738 4.8281 4.8281 5.8880 5.8880 6.3375 6.3375 7.7660 7.7660 8.0825 8.0825 8.2972 8.2972 12.0230 12.0230 13.6745 13.6745 15.8568 15.8568 18.0510 18.0510 k = 0.2800 0.1629 0.2921 ( 2214 PWs) bands (ev): -8.4240 -8.4240 -8.0976 -8.0976 1.0958 1.0958 1.8151 1.8151 1.8908 1.8908 2.1082 2.1082 2.3845 2.3845 2.5012 2.5012 2.8193 2.8193 3.2357 3.2357 3.4117 3.4117 3.8811 3.8811 4.8497 4.8497 5.8925 5.8925 6.3323 6.3323 7.7490 7.7490 8.0750 8.0750 8.2912 8.2912 12.0353 12.0353 13.7232 13.7232 15.7372 15.7372 18.0644 18.0644 k = 0.2893 0.1684 0.2921 ( 2209 PWs) bands (ev): -8.4192 -8.4192 -8.0884 -8.0884 1.0981 1.0981 1.8139 1.8139 1.8902 1.8902 2.1118 2.1118 2.3949 2.3949 2.4939 2.4939 2.8268 2.8268 3.2364 3.2364 3.4065 3.4065 3.8886 3.8886 4.8711 4.8711 5.8858 5.8858 6.3426 6.3426 7.7320 7.7320 8.0687 8.0687 8.2852 8.2852 12.0459 12.0459 13.7623 13.7623 15.6264 15.6264 18.0594 18.0594 k = 0.2987 0.1738 0.2921 ( 2205 PWs) bands (ev): -8.4142 -8.4142 -8.0795 -8.0795 1.1017 1.1017 1.8128 1.8128 1.8894 1.8894 2.1144 2.1144 2.4051 2.4051 2.4873 2.4873 2.8345 2.8345 3.2359 3.2359 3.3997 3.3997 3.8964 3.8964 4.8924 4.8924 5.8704 5.8704 6.3662 6.3662 7.7151 7.7151 8.0635 8.0635 8.2794 8.2794 12.0549 12.0549 13.7895 13.7895 15.5267 15.5267 18.0334 18.0334 k = 0.3080 0.1792 0.2921 ( 2211 PWs) bands (ev): -8.4091 -8.4091 -8.0711 -8.0711 1.1066 1.1066 1.8118 1.8118 1.8883 1.8883 2.1159 2.1159 2.4149 2.4149 2.4814 2.4814 2.8424 2.8424 3.2341 3.2341 3.3914 3.3914 3.9043 3.9043 4.9135 4.9135 5.8494 5.8494 6.3993 6.3993 7.6983 7.6983 8.0595 8.0595 8.2735 8.2735 12.0622 12.0622 13.8028 13.8028 15.4406 15.4406 17.9879 17.9879 k = 0.3173 0.1846 0.2921 ( 2211 PWs) bands (ev): -8.4040 -8.4040 -8.0629 -8.0629 1.1128 1.1128 1.8108 1.8108 1.8870 1.8870 2.1165 2.1165 2.4240 2.4240 2.4766 2.4766 2.8506 2.8506 3.2310 3.2310 3.3816 3.3816 3.9124 3.9124 4.9345 4.9345 5.8257 5.8257 6.4388 6.4388 7.6818 7.6818 8.0567 8.0567 8.2678 8.2678 12.0682 12.0682 13.8003 13.8003 15.3702 15.3702 17.9279 17.9279 k = 0.3267 0.1901 0.2921 ( 2206 PWs) bands (ev): -8.3988 -8.3988 -8.0552 -8.0552 1.1202 1.1202 1.8099 1.8099 1.8855 1.8855 2.1163 2.1163 2.4320 2.4320 2.4734 2.4734 2.8590 2.8590 3.2266 3.2266 3.3706 3.3706 3.9207 3.9207 4.9553 4.9553 5.8014 5.8014 6.4825 6.4825 7.6656 7.6656 8.0552 8.0552 8.2622 8.2622 12.0730 12.0730 13.7807 13.7807 15.3167 15.3167 17.8587 17.8587 k = 0.3360 0.1955 0.2921 ( 2208 PWs) bands (ev): -8.3937 -8.3937 -8.0479 -8.0479 1.1287 1.1287 1.8091 1.8091 1.8838 1.8838 2.1154 2.1154 2.4380 2.4380 2.4723 2.4723 2.8673 2.8673 3.2206 3.2206 3.3585 3.3585 3.9291 3.9291 4.9758 4.9758 5.7778 5.7778 6.5286 6.5286 7.6497 7.6497 8.0550 8.0550 8.2567 8.2567 12.0767 12.0767 13.7442 13.7442 15.2805 15.2805 17.7849 17.7849 k = 0.3453 0.2009 0.2921 ( 2206 PWs) bands (ev): -8.3886 -8.3886 -8.0410 -8.0410 1.1382 1.1382 1.8085 1.8085 1.8820 1.8820 2.1138 2.1138 2.4413 2.4413 2.4742 2.4742 2.8754 2.8754 3.2130 3.2130 3.3459 3.3459 3.9375 3.9375 4.9960 4.9960 5.7557 5.7557 6.5758 6.5758 7.6343 7.6343 8.0561 8.0561 8.2515 8.2515 12.0796 12.0796 13.6921 13.6921 15.2603 15.2603 17.7097 17.7097 k = 0.3547 0.2064 0.2921 ( 2208 PWs) bands (ev): -8.3836 -8.3836 -8.0345 -8.0345 1.1485 1.1485 1.8080 1.8080 1.8799 1.8799 2.1116 2.1116 2.4422 2.4422 2.4787 2.4787 2.8834 2.8834 3.2036 3.2036 3.3330 3.3330 3.9461 3.9461 5.0156 5.0156 5.7357 5.7357 6.6232 6.6232 7.6193 7.6193 8.0583 8.0583 8.2463 8.2463 12.0819 12.0819 13.6265 13.6265 15.2542 15.2542 17.6352 17.6352 k = 0.3640 0.2118 0.2921 ( 2210 PWs) bands (ev): -8.3787 -8.3787 -8.0284 -8.0284 1.1595 1.1595 1.8077 1.8077 1.8778 1.8778 2.1090 2.1090 2.4418 2.4418 2.4848 2.4848 2.8909 2.8909 3.1924 3.1924 3.3204 3.3204 3.9546 3.9546 5.0347 5.0347 5.7178 5.7178 6.6702 6.6702 7.6049 7.6049 8.0618 8.0618 8.2414 8.2414 12.0840 12.0840 13.5504 13.5504 15.2594 15.2594 17.5627 17.5627 k = 0.3733 0.2172 0.2921 ( 2210 PWs) bands (ev): -8.3739 -8.3739 -8.0228 -8.0228 1.1711 1.1711 1.8075 1.8075 1.8755 1.8755 2.1062 2.1062 2.4409 2.4409 2.4914 2.4914 2.8978 2.8978 3.1796 3.1796 3.3085 3.3085 3.9631 3.9631 5.0531 5.0531 5.7022 5.7022 6.7162 6.7162 7.5910 7.5910 8.0663 8.0663 8.2368 8.2368 12.0862 12.0862 13.4668 13.4668 15.2733 15.2733 17.4932 17.4932 k = 0.3827 0.2227 0.2921 ( 2209 PWs) bands (ev): -8.3693 -8.3693 -8.0176 -8.0176 1.1830 1.1830 1.8075 1.8075 1.8732 1.8732 2.1032 2.1032 2.4401 2.4401 2.4982 2.4982 2.9039 2.9039 3.1653 3.1653 3.2974 3.2974 3.9714 3.9714 5.0706 5.0706 5.6888 5.6888 6.7606 6.7606 7.5779 7.5779 8.0718 8.0718 8.2324 8.2324 12.0888 12.0888 13.3782 13.3782 15.2934 15.2934 17.4272 17.4272 k = 0.3920 0.2281 0.2921 ( 2211 PWs) bands (ev): -8.3649 -8.3649 -8.0128 -8.0128 1.1950 1.1950 1.8076 1.8076 1.8708 1.8708 2.1001 2.1001 2.4395 2.4395 2.5049 2.5049 2.9088 2.9088 3.1501 3.1501 3.2874 3.2874 3.9795 3.9795 5.0872 5.0872 5.6775 5.6775 6.8029 6.8029 7.5654 7.5654 8.0781 8.0781 8.2282 8.2282 12.0922 12.0922 13.2870 13.2870 15.3175 15.3175 17.3652 17.3652 k = 0.4014 0.2335 0.2921 ( 2208 PWs) bands (ev): -8.3606 -8.3606 -8.0085 -8.0085 1.2070 1.2070 1.8079 1.8079 1.8684 1.8684 2.0971 2.0971 2.4391 2.4391 2.5113 2.5113 2.9125 2.9125 3.1348 3.1348 3.2785 3.2785 3.9873 3.9873 5.1026 5.1026 5.6682 5.6682 6.8429 6.8429 7.5537 7.5537 8.0851 8.0851 8.2244 8.2244 12.0968 12.0968 13.1951 13.1951 15.3441 15.3441 17.3074 17.3074 k = 0.4107 0.2389 0.2921 ( 2206 PWs) bands (ev): -8.3567 -8.3567 -8.0046 -8.0046 1.2186 1.2186 1.8083 1.8083 1.8659 1.8659 2.0942 2.0942 2.4390 2.4390 2.5175 2.5175 2.9144 2.9144 3.1202 3.1202 3.2705 3.2705 3.9948 3.9948 5.1169 5.1169 5.6606 5.6606 6.8801 6.8801 7.5428 7.5428 8.0927 8.0927 8.2209 8.2209 12.1030 12.1030 13.1041 13.1041 15.3716 15.3716 17.2539 17.2539 k = 0.4200 0.2444 0.2921 ( 2208 PWs) bands (ev): -8.3530 -8.3530 -8.0012 -8.0012 1.2298 1.2298 1.8088 1.8088 1.8635 1.8635 2.0916 2.0916 2.4389 2.4389 2.5236 2.5236 2.9144 2.9144 3.1071 3.1071 3.2634 3.2634 4.0017 4.0017 5.1298 5.1298 5.6545 5.6545 6.9141 6.9141 7.5328 7.5328 8.1005 8.1005 8.2178 8.2178 12.1112 12.1112 13.0152 13.0152 15.3992 15.3992 17.2048 17.2048 k = 0.4294 0.2498 0.2921 ( 2204 PWs) bands (ev): -8.3496 -8.3496 -7.9982 -7.9982 1.2402 1.2402 1.8094 1.8094 1.8612 1.8612 2.0895 2.0895 2.4387 2.4387 2.5295 2.5295 2.9124 2.9124 3.0961 3.0961 3.2571 3.2571 4.0082 4.0082 5.1413 5.1413 5.6497 5.6497 6.9446 6.9446 7.5236 7.5236 8.1085 8.1085 8.2151 8.2151 12.1219 12.1219 12.9295 12.9295 15.4259 15.4259 17.1602 17.1602 k = 0.4387 0.2552 0.2921 ( 2210 PWs) bands (ev): -8.3465 -8.3465 -7.9956 -7.9956 1.2496 1.2496 1.8101 1.8101 1.8589 1.8589 2.0877 2.0877 2.4381 2.4381 2.5353 2.5353 2.9086 2.9086 3.0875 3.0875 3.2515 3.2515 4.0140 4.0140 5.1514 5.1514 5.6459 5.6459 6.9713 6.9713 7.5155 7.5155 8.1163 8.1163 8.2127 8.2127 12.1355 12.1355 12.8478 12.8478 15.4511 15.4511 17.1201 17.1201 k = 0.4480 0.2607 0.2921 ( 2209 PWs) bands (ev): -8.3437 -8.3437 -7.9935 -7.9935 1.2578 1.2578 1.8108 1.8108 1.8567 1.8567 2.0865 2.0865 2.4372 2.4372 2.5412 2.5412 2.9036 2.9036 3.0813 3.0813 3.2468 3.2468 4.0191 4.0191 5.1599 5.1599 5.6431 5.6431 6.9939 6.9939 7.5083 7.5083 8.1237 8.1237 8.2107 8.2107 12.1525 12.1525 12.7708 12.7708 15.4744 15.4744 17.0844 17.0844 k = 0.4574 0.2661 0.2921 ( 2213 PWs) bands (ev): -8.3413 -8.3413 -7.9918 -7.9918 1.2646 1.2646 1.8115 1.8115 1.8547 1.8547 2.0859 2.0859 2.4355 2.4355 2.5471 2.5471 2.8981 2.8981 3.0772 3.0772 3.2427 3.2427 4.0235 4.0235 5.1670 5.1670 5.6409 5.6409 7.0122 7.0122 7.5022 7.5022 8.1307 8.1307 8.2092 8.2092 12.1732 12.1732 12.6990 12.6990 15.4953 15.4953 17.0531 17.0531 k = 0.4667 0.2715 0.2921 ( 2211 PWs) bands (ev): -8.3393 -8.3393 -7.9906 -7.9906 1.2699 1.2699 1.8122 1.8122 1.8528 1.8528 2.0861 2.0861 2.4330 2.4330 2.5530 2.5530 2.8931 2.8931 3.0748 3.0748 3.2395 3.2395 4.0271 4.0271 5.1725 5.1725 5.6393 5.6393 7.0259 7.0259 7.4972 7.4972 8.1368 8.1368 8.2081 8.2081 12.1980 12.1980 12.6328 12.6328 15.5136 15.5136 17.0263 17.0263 k = 0.4760 0.2770 0.2921 ( 2209 PWs) bands (ev): -8.3376 -8.3376 -7.9898 -7.9898 1.2735 1.2735 1.8129 1.8129 1.8511 1.8511 2.0869 2.0869 2.4297 2.4297 2.5588 2.5588 2.8892 2.8892 3.0736 3.0736 3.2371 3.2371 4.0299 4.0299 5.1766 5.1766 5.6380 5.6380 7.0348 7.0348 7.4932 7.4932 8.1420 8.1420 8.2075 8.2075 12.2272 12.2272 12.5725 12.5725 15.5288 15.5288 17.0039 17.0039 k = 0.4854 0.2824 0.2921 ( 2210 PWs) bands (ev): -8.3363 -8.3363 -7.9894 -7.9894 1.2753 1.2753 1.8136 1.8136 1.8496 1.8496 2.0884 2.0884 2.4254 2.4254 2.5642 2.5642 2.8872 2.8872 3.0732 3.0732 3.2355 3.2355 4.0318 4.0318 5.1792 5.1792 5.6370 5.6370 7.0389 7.0389 7.4904 7.4904 8.1461 8.1461 8.2074 8.2074 12.2609 12.2609 12.5187 12.5187 15.5408 15.5408 16.9860 16.9860 k = 0.4947 0.2878 0.2921 ( 2210 PWs) bands (ev): -8.3354 -8.3354 -7.9895 -7.9895 1.2753 1.2753 1.8143 1.8143 1.8483 1.8483 2.0906 2.0906 2.4204 2.4204 2.5690 2.5690 2.8876 2.8876 3.0736 3.0736 3.2348 3.2348 4.0327 4.0327 5.1803 5.1803 5.6362 5.6362 7.0380 7.0380 7.4887 7.4887 8.1489 8.1489 8.2077 8.2077 12.2984 12.2984 12.4720 12.4720 15.5494 15.5494 16.9726 16.9726 k = 0.5000 0.2909-0.0127 ( 2208 PWs) bands (ev): -8.4110 -8.4110 -7.9093 -7.9093 0.9436 0.9436 1.5392 1.5392 1.8214 1.8214 1.9698 1.9698 2.6216 2.6216 2.8059 2.8059 3.0887 3.0887 3.5442 3.5442 3.9396 3.9396 4.1765 4.1765 4.7355 4.7355 5.8772 5.8772 6.1323 6.1323 6.6335 6.6335 7.5875 7.5875 8.9191 8.9191 12.8244 12.8244 13.4130 13.4130 14.9890 14.9890 16.6904 16.6905 k = 0.5053 0.2817-0.0127 ( 2214 PWs) bands (ev): -8.4109 -8.4109 -7.9093 -7.9093 0.9439 0.9439 1.5396 1.5396 1.8218 1.8218 1.9699 1.9699 2.6212 2.6212 2.8058 2.8058 3.0883 3.0883 3.5437 3.5437 3.9391 3.9391 4.1754 4.1754 4.7370 4.7370 5.8763 5.8763 6.1343 6.1343 6.6334 6.6334 7.5874 7.5874 8.9166 8.9166 12.8273 12.8273 13.4129 13.4129 14.9903 14.9903 16.6924 16.6924 k = 0.5107 0.2726-0.0127 ( 2216 PWs) bands (ev): -8.4106 -8.4106 -7.9093 -7.9093 0.9446 0.9446 1.5411 1.5411 1.8231 1.8231 1.9706 1.9706 2.6200 2.6200 2.8054 2.8054 3.0869 3.0869 3.5425 3.5425 3.9376 3.9376 4.1723 4.1723 4.7416 4.7416 5.8737 5.8737 6.1401 6.1401 6.6333 6.6333 7.5872 7.5872 8.9093 8.9093 12.8360 12.8360 13.4128 13.4128 14.9940 14.9940 16.6984 16.6984 k = 0.5160 0.2634-0.0127 ( 2214 PWs) bands (ev): -8.4101 -8.4101 -7.9094 -7.9094 0.9457 0.9457 1.5434 1.5434 1.8253 1.8253 1.9717 1.9717 2.6181 2.6181 2.8049 2.8049 3.0849 3.0849 3.5405 3.5405 3.9352 3.9352 4.1672 4.1672 4.7492 4.7492 5.8695 5.8695 6.1497 6.1497 6.6331 6.6331 7.5869 7.5869 8.8972 8.8972 12.8503 12.8503 13.4127 13.4127 15.0002 15.0002 16.7082 16.7082 k = 0.5213 0.2543-0.0127 ( 2216 PWs) bands (ev): -8.4093 -8.4093 -7.9094 -7.9094 0.9473 0.9473 1.5467 1.5467 1.8283 1.8283 1.9732 1.9732 2.6154 2.6154 2.8042 2.8042 3.0819 3.0819 3.5377 3.5377 3.9318 3.9318 4.1602 4.1602 4.7597 4.7597 5.8636 5.8636 6.1630 6.1630 6.6328 6.6328 7.5863 7.5863 8.8805 8.8805 12.8700 12.8700 13.4123 13.4123 15.0087 15.0087 16.7218 16.7218 k = 0.5267 0.2451-0.0127 ( 2214 PWs) bands (ev): -8.4084 -8.4084 -7.9095 -7.9095 0.9494 0.9494 1.5509 1.5509 1.8322 1.8322 1.9752 1.9752 2.6118 2.6118 2.8033 2.8033 3.0783 3.0783 3.5342 3.5342 3.9275 3.9275 4.1513 4.1513 4.7729 4.7729 5.8562 5.8562 6.1798 6.1798 6.6325 6.6325 7.5855 7.5855 8.8593 8.8593 12.8950 12.8950 13.4121 13.4121 15.0196 15.0196 16.7390 16.7390 k = 0.5320 0.2359-0.0127 ( 2214 PWs) bands (ev): -8.4073 -8.4073 -7.9095 -7.9095 0.9518 0.9518 1.5559 1.5559 1.8368 1.8368 1.9776 1.9776 2.6075 2.6075 2.8023 2.8023 3.0739 3.0739 3.5302 3.5302 3.9224 3.9224 4.1408 4.1408 4.7888 4.7888 5.8474 5.8474 6.2000 6.2000 6.6323 6.6323 7.5844 7.5844 8.8340 8.8340 12.9250 12.9250 13.4118 13.4118 15.0327 15.0327 16.7596 16.7596 k = 0.5373 0.2268-0.0127 ( 2218 PWs) bands (ev): -8.4060 -8.4060 -7.9096 -7.9096 0.9546 0.9546 1.5618 1.5618 1.8423 1.8423 1.9803 1.9803 2.6022 2.6022 2.8012 2.8012 3.0687 3.0687 3.5256 3.5256 3.9165 3.9165 4.1286 4.1286 4.8071 4.8071 5.8373 5.8373 6.2234 6.2234 6.6322 6.6322 7.5831 7.5831 8.8048 8.8048 12.9595 12.9595 13.4117 13.4117 15.0479 15.0479 16.7832 16.7832 k = 0.5427 0.2176-0.0127 ( 2218 PWs) bands (ev): -8.4045 -8.4045 -7.9097 -7.9097 0.9579 0.9579 1.5684 1.5684 1.8485 1.8485 1.9835 1.9835 2.5962 2.5962 2.8000 2.8000 3.0630 3.0630 3.5205 3.5205 3.9098 3.9098 4.1151 4.1151 4.8277 4.8277 5.8260 5.8260 6.2498 6.2498 6.6322 6.6322 7.5813 7.5813 8.7721 8.7721 12.9981 12.9981 13.4117 13.4117 15.0651 15.0651 16.8090 16.8090 k = 0.5480 0.2084-0.0127 ( 2220 PWs) bands (ev): -8.4028 -8.4028 -7.9097 -7.9097 0.9615 0.9615 1.5759 1.5759 1.8555 1.8555 1.9870 1.9870 2.5893 2.5893 2.7988 2.7988 3.0567 3.0567 3.5151 3.5151 3.9025 3.9025 4.1003 4.1003 4.8504 4.8504 5.8136 5.8136 6.2790 6.2790 6.6324 6.6324 7.5791 7.5791 8.7361 8.7361 13.0404 13.0404 13.4121 13.4121 15.0841 15.0841 16.8358 16.8358 k = 0.5533 0.1993-0.0127 ( 2222 PWs) bands (ev): -8.4011 -8.4011 -7.9098 -7.9098 0.9655 0.9655 1.5840 1.5840 1.8631 1.8631 1.9908 1.9908 2.5815 2.5815 2.7976 2.7976 3.0499 3.0499 3.5094 3.5094 3.8946 3.8946 4.0844 4.0844 4.8750 4.8750 5.8003 5.8003 6.3107 6.3107 6.6329 6.6329 7.5763 7.5763 8.6972 8.6972 13.0856 13.0856 13.4133 13.4133 15.1047 15.1047 16.8614 16.8614 k = 0.5587 0.1901-0.0127 ( 2222 PWs) bands (ev): -8.3991 -8.3991 -7.9099 -7.9099 0.9698 0.9698 1.5929 1.5929 1.8714 1.8714 1.9950 1.9950 2.5728 2.5728 2.7964 2.7964 3.0426 3.0426 3.5035 3.5035 3.8861 3.8861 4.0676 4.0676 4.9015 4.9015 5.7862 5.7862 6.3448 6.3448 6.6338 6.6338 7.5730 7.5730 8.6559 8.6559 13.1327 13.1327 13.4158 13.4158 15.1268 15.1268 16.8808 16.8808 k = 0.5640 0.1809-0.0127 ( 2219 PWs) bands (ev): -8.3971 -8.3971 -7.9100 -7.9100 0.9744 0.9744 1.6023 1.6023 1.8804 1.8804 1.9994 1.9994 2.5633 2.5633 2.7953 2.7953 3.0350 3.0350 3.4974 3.4974 3.8771 3.8771 4.0499 4.0499 4.9295 4.9295 5.7715 5.7715 6.3809 6.3809 6.6351 6.6351 7.5691 7.5691 8.6124 8.6124 13.1803 13.1803 13.4208 13.4208 15.1502 15.1502 16.8832 16.8832 k = 0.5693 0.1718-0.0127 ( 2221 PWs) bands (ev): -8.3950 -8.3950 -7.9102 -7.9102 0.9793 0.9793 1.6123 1.6123 1.8899 1.8899 2.0041 2.0041 2.5530 2.5530 2.7942 2.7942 3.0270 3.0270 3.4912 3.4912 3.8677 3.8677 4.0317 4.0317 4.9589 4.9589 5.7562 5.7562 6.4189 6.4189 6.6369 6.6369 7.5645 7.5645 8.5671 8.5671 13.2259 13.2259 13.4303 13.4303 15.1745 15.1745 16.8488 16.8488 k = 0.5747 0.1626-0.0127 ( 2221 PWs) bands (ev): -8.3928 -8.3928 -7.9103 -7.9103 0.9844 0.9844 1.6227 1.6227 1.8999 1.8999 2.0091 2.0091 2.5418 2.5418 2.7932 2.7932 3.0187 3.0187 3.4850 3.4850 3.8579 3.8579 4.0131 4.0131 4.9897 4.9897 5.7406 5.7406 6.4583 6.4583 6.6395 6.6395 7.5591 7.5591 8.5204 8.5204 13.2655 13.2655 13.4481 13.4481 15.1996 15.1996 16.7629 16.7629 k = 0.5800 0.1534-0.0127 ( 2219 PWs) bands (ev): -8.3905 -8.3905 -7.9104 -7.9104 0.9898 0.9898 1.6335 1.6335 1.9104 1.9104 2.0142 2.0142 2.5300 2.5300 2.7923 2.7923 3.0102 3.0102 3.4787 3.4787 3.8476 3.8476 3.9943 3.9943 5.0216 5.0216 5.7248 5.7248 6.4986 6.4986 6.6431 6.6431 7.5529 7.5529 8.4726 8.4726 13.2948 13.2948 13.4782 13.4782 15.2251 15.2251 16.6369 16.6369 k = 0.5853 0.1443-0.0127 ( 2217 PWs) bands (ev): -8.3882 -8.3882 -7.9105 -7.9105 0.9953 0.9953 1.6447 1.6447 1.9213 1.9213 2.0196 2.0196 2.5175 2.5175 2.7914 2.7914 3.0015 3.0015 3.4725 3.4725 3.8370 3.8370 3.9755 3.9755 5.0544 5.0544 5.7089 5.7089 6.5389 6.5389 6.6485 6.6485 7.5458 7.5458 8.4239 8.4239 13.3125 13.3125 13.5214 13.5214 15.2507 15.2507 16.4904 16.4905 k = 0.5907 0.1351-0.0127 ( 2217 PWs) bands (ev): -8.3859 -8.3859 -7.9107 -7.9107 1.0010 1.0010 1.6560 1.6560 1.9326 1.9326 2.0251 2.0251 2.5043 2.5043 2.7906 2.7906 2.9926 2.9926 3.4662 3.4662 3.8258 3.8258 3.9572 3.9572 5.0882 5.0882 5.6931 5.6931 6.5772 6.5772 6.6576 6.6576 7.5379 7.5379 8.3748 8.3748 13.3213 13.3213 13.5749 13.5749 15.2758 15.2758 16.3353 16.3353 k = 0.5960 0.1259-0.0127 ( 2219 PWs) bands (ev): -8.3836 -8.3836 -7.9108 -7.9108 1.0069 1.0069 1.6675 1.6675 1.9442 1.9442 2.0307 2.0307 2.4906 2.4906 2.7898 2.7898 2.9835 2.9835 3.4600 3.4600 3.8139 3.8139 3.9396 3.9396 5.1227 5.1227 5.6776 5.6776 6.6086 6.6086 6.6749 6.6749 7.5290 7.5290 8.3256 8.3256 13.3244 13.3244 13.6349 13.6349 15.3000 15.3000 16.1773 16.1773 k = 0.6013 0.1168-0.0127 ( 2223 PWs) bands (ev): -8.3813 -8.3813 -7.9110 -7.9110 1.0129 1.0129 1.6790 1.6790 1.9559 1.9559 2.0365 2.0365 2.4764 2.4764 2.7891 2.7891 2.9743 2.9743 3.4537 3.4537 3.8011 3.8011 3.9232 3.9232 5.1578 5.1578 5.6625 5.6625 6.6280 6.6280 6.7053 6.7053 7.5191 7.5191 8.2765 8.2765 13.3242 13.3242 13.6989 13.6989 15.3221 15.3221 16.0205 16.0205 k = 0.6067 0.1076-0.0127 ( 2229 PWs) bands (ev): -8.3791 -8.3791 -7.9111 -7.9111 1.0189 1.0189 1.6905 1.6905 1.9677 1.9677 2.0424 2.0424 2.4618 2.4618 2.7884 2.7884 2.9649 2.9649 3.4474 3.4474 3.7873 3.7873 3.9083 3.9083 5.1933 5.1933 5.6480 5.6480 6.6391 6.6391 6.7450 6.7450 7.5082 7.5082 8.2278 8.2278 13.3218 13.3218 13.7654 13.7654 15.3400 15.3400 15.8682 15.8682 k = 0.6120 0.0984-0.0127 ( 2227 PWs) bands (ev): -8.3770 -8.3770 -7.9113 -7.9113 1.0250 1.0250 1.7019 1.7019 1.9796 1.9796 2.0486 2.0486 2.4469 2.4469 2.7879 2.7879 2.9557 2.9557 3.4410 3.4410 3.7722 3.7722 3.8953 3.8953 5.2293 5.2293 5.6342 5.6342 6.6469 6.6469 6.7886 6.7886 7.4963 7.4963 8.1799 8.1799 13.3179 13.3179 13.8331 13.8331 15.3488 15.3488 15.7269 15.7269 k = 0.6173 0.0893-0.0127 ( 2221 PWs) bands (ev): -8.3749 -8.3749 -7.9114 -7.9114 1.0312 1.0312 1.7131 1.7131 1.9912 1.9912 2.0551 2.0551 2.4319 2.4319 2.7874 2.7874 2.9464 2.9464 3.4345 3.4345 3.7557 3.7557 3.8846 3.8846 5.2655 5.2655 5.6212 5.6212 6.6536 6.6536 6.8338 6.8338 7.4834 7.4834 8.1330 8.1330 13.3130 13.3130 13.9012 13.9012 15.3347 15.3347 15.6112 15.6112 k = 0.6227 0.0801-0.0127 ( 2225 PWs) bands (ev): -8.3730 -8.3730 -7.9115 -7.9115 1.0374 1.0374 1.7239 1.7239 2.0025 2.0025 2.0619 2.0619 2.4166 2.4166 2.7869 2.7869 2.9371 2.9371 3.4279 3.4279 3.7380 3.7380 3.8761 3.8761 5.3017 5.3017 5.6092 5.6092 6.6599 6.6599 6.8794 6.8794 7.4696 7.4696 8.0873 8.0873 13.3071 13.3071 13.9684 13.9684 15.2735 15.2735 15.5463 15.5463 k = 0.6280 0.0709-0.0127 ( 2225 PWs) bands (ev): -8.3713 -8.3713 -7.9117 -7.9117 1.0435 1.0435 1.7345 1.7345 2.0132 2.0132 2.0692 2.0692 2.4013 2.4013 2.7864 2.7864 2.9278 2.9278 3.4210 3.4210 3.7192 3.7192 3.8697 3.8697 5.3379 5.3379 5.5984 5.5984 6.6660 6.6660 6.9249 6.9249 7.4549 7.4549 8.0432 8.0432 13.3005 13.3005 14.0336 14.0336 15.1694 15.1694 15.5296 15.5296 k = 0.6333 0.0618-0.0127 ( 2223 PWs) bands (ev): -8.3697 -8.3697 -7.9118 -7.9118 1.0496 1.0496 1.7446 1.7446 2.0230 2.0230 2.0772 2.0772 2.3859 2.3859 2.7860 2.7860 2.9186 2.9186 3.4140 3.4140 3.6996 3.6996 3.8655 3.8655 5.3736 5.3736 5.5891 5.5891 6.6720 6.6720 6.9696 6.9696 7.4394 7.4394 8.0011 8.0011 13.2931 13.2931 14.0944 14.0944 15.0521 15.0521 15.5338 15.5338 k = 0.6387 0.0526-0.0127 ( 2219 PWs) bands (ev): -8.3684 -8.3684 -7.9120 -7.9120 1.0556 1.0556 1.7541 1.7541 2.0319 2.0319 2.0859 2.0859 2.3708 2.3708 2.7856 2.7856 2.9095 2.9095 3.4068 3.4068 3.6794 3.6794 3.8631 3.8631 5.4086 5.4086 5.5817 5.5817 6.6779 6.6779 7.0133 7.0133 7.4232 7.4232 7.9611 7.9611 13.2851 13.2851 14.1472 14.1472 14.9394 14.9394 15.5450 15.5450 k = 0.6440 0.0434-0.0127 ( 2221 PWs) bands (ev): -8.3673 -8.3673 -7.9121 -7.9121 1.0615 1.0615 1.7631 1.7631 2.0396 2.0396 2.0953 2.0953 2.3558 2.3558 2.7852 2.7852 2.9005 2.9005 3.3994 3.3994 3.6589 3.6589 3.8623 3.8623 5.4419 5.4419 5.5771 5.5771 6.6836 6.6836 7.0552 7.0552 7.4067 7.4067 7.9236 7.9236 13.2761 13.2761 14.1852 14.1852 14.8432 14.8432 15.5580 15.5580 k = 0.6493 0.0343-0.0127 ( 2225 PWs) bands (ev): -8.3665 -8.3665 -7.9122 -7.9122 1.0672 1.0672 1.7715 1.7715 2.0463 2.0463 2.1052 2.1052 2.3410 2.3410 2.7848 2.7848 2.8916 2.8916 3.3918 3.3918 3.6382 3.6382 3.8630 3.8630 5.4718 5.4718 5.5769 5.5769 6.6889 6.6889 7.0949 7.0949 7.3900 7.3900 7.8891 7.8891 13.2663 13.2663 14.1985 14.1985 14.7758 14.7758 15.5710 15.5710 k = 0.6547 0.0251-0.0127 ( 2229 PWs) bands (ev): -8.3659 -8.3659 -7.9123 -7.9123 1.0728 1.0728 1.7793 1.7793 2.0520 2.0520 2.1155 2.1155 2.3266 2.3266 2.7843 2.7843 2.8828 2.8828 3.3840 3.3840 3.6176 3.6176 3.8650 3.8650 5.4953 5.4953 5.5842 5.5842 6.6937 6.6937 7.1314 7.1314 7.3737 7.3737 7.8580 7.8580 13.2552 13.2552 14.1780 14.1780 14.7476 14.7476 15.5831 15.5831 k = 0.6600 0.0159-0.0127 ( 2227 PWs) bands (ev): -8.3657 -8.3657 -7.9125 -7.9125 1.0782 1.0782 1.7864 1.7864 2.0568 2.0568 2.1258 2.1258 2.3128 2.3128 2.7839 2.7839 2.8742 2.8742 3.3762 3.3762 3.5972 3.5972 3.8681 3.8681 5.5095 5.5095 5.6018 5.6018 6.6976 6.6976 7.1638 7.1638 7.3586 7.3586 7.8308 7.8308 13.2425 13.2425 14.1255 14.1255 14.7581 14.7581 15.5938 15.5938 k = 0.6653 0.0068-0.0127 ( 2229 PWs) bands (ev): -8.3658 -8.3658 -7.9126 -7.9126 1.0834 1.0834 1.7928 1.7928 2.0609 2.0609 2.1360 2.1360 2.2996 2.2996 2.7836 2.7836 2.8659 2.8659 3.3682 3.3682 3.5770 3.5770 3.8722 3.8722 5.5161 5.5161 5.6281 5.6281 6.7003 6.7003 7.1906 7.1906 7.3455 7.3455 7.8082 7.8082 13.2275 13.2275 14.0531 14.0531 14.7959 14.7959 15.6028 15.6028 k = 0.3347-0.5752 0.0000 ( 2229 PWs) bands (ev): -8.3658 -8.3658 -7.9126 -7.9126 1.0834 1.0834 1.7928 1.7928 2.0609 2.0609 2.1360 2.1360 2.2996 2.2996 2.7836 2.7836 2.8659 2.8659 3.3682 3.3682 3.5770 3.5770 3.8722 3.8722 5.5161 5.5161 5.6281 5.6281 6.7003 6.7003 7.1906 7.1906 7.3455 7.3455 7.8082 7.8082 13.2275 13.2275 14.0531 14.0531 14.7959 14.7959 15.6028 15.6028 k = 0.3292-0.5658 0.0000 ( 2227 PWs) bands (ev): -8.3663 -8.3663 -7.9127 -7.9127 1.0885 1.0885 1.7987 1.7987 2.0643 2.0643 2.1460 2.1460 2.2870 2.2870 2.7832 2.7832 2.8576 2.8576 3.3599 3.3599 3.5567 3.5567 3.8771 3.8771 5.5191 5.5191 5.6599 5.6599 6.7015 6.7015 7.2107 7.2107 7.3356 7.3356 7.7904 7.7904 13.2088 13.2088 13.9711 13.9711 14.8517 14.8517 15.6100 15.6100 k = 0.3237-0.5563 0.0000 ( 2225 PWs) bands (ev): -8.3671 -8.3671 -7.9127 -7.9127 1.0934 1.0934 1.8040 1.8040 2.0670 2.0670 2.1551 2.1551 2.2756 2.2756 2.7828 2.7828 2.8495 2.8495 3.3516 3.3516 3.5369 3.5369 3.8828 3.8828 5.5210 5.5210 5.6939 5.6939 6.7005 6.7005 7.2220 7.2220 7.3303 7.3303 7.7789 7.7789 13.1856 13.1856 13.8905 13.8905 14.9171 14.9171 15.6153 15.6153 k = 0.3182-0.5469 0.0000 ( 2219 PWs) bands (ev): -8.3684 -8.3684 -7.9128 -7.9128 1.0979 1.0979 1.8085 1.8085 2.0690 2.0690 2.1631 2.1631 2.2657 2.2657 2.7823 2.7823 2.8419 2.8419 3.3434 3.3434 3.5176 3.5176 3.8889 3.8889 5.5229 5.5229 5.7288 5.7288 6.6967 6.6967 7.2251 7.2251 7.3286 7.3286 7.7741 7.7741 13.1564 13.1564 13.8172 13.8172 14.9880 14.9880 15.6185 15.6185 k = 0.3127-0.5375 0.0000 ( 2221 PWs) bands (ev): -8.3701 -8.3701 -7.9129 -7.9129 1.1020 1.1020 1.8123 1.8123 2.0703 2.0703 2.1693 2.1693 2.2577 2.2577 2.7815 2.7815 2.8347 2.8347 3.3353 3.3353 3.4989 3.4989 3.8954 3.8954 5.5255 5.5255 5.7639 5.7639 6.6897 6.6897 7.2233 7.2233 7.3280 7.3280 7.7761 7.7761 13.1196 13.1196 13.7551 13.7551 15.0619 15.0619 15.6197 15.6197 k = 0.3072-0.5281 0.0000 ( 2215 PWs) bands (ev): -8.3723 -8.3723 -7.9129 -7.9129 1.1058 1.1058 1.8155 1.8155 2.0708 2.0708 2.1735 2.1735 2.2522 2.2522 2.7805 2.7805 2.8283 2.8283 3.3273 3.3273 3.4808 3.4808 3.9021 3.9021 5.5290 5.5290 5.7990 5.7990 6.6789 6.6789 7.2197 7.2197 7.3262 7.3262 7.7844 7.7844 13.0744 13.0744 13.7066 13.7066 15.1375 15.1375 15.6191 15.6191 k = 0.3018-0.5186 0.0000 ( 2217 PWs) bands (ev): -8.3750 -8.3750 -7.9129 -7.9129 1.1092 1.1092 1.8181 1.8181 2.0706 2.0706 2.1751 2.1751 2.2492 2.2492 2.7786 2.7786 2.8229 2.8229 3.3194 3.3194 3.4632 3.4632 3.9090 3.9090 5.5334 5.5334 5.8338 5.8338 6.6638 6.6638 7.2165 7.2165 7.3224 7.3224 7.7981 7.7981 13.0209 13.0209 13.6727 13.6727 15.2137 15.2137 15.6170 15.6170 k = 0.2963-0.5092 0.0000 ( 2215 PWs) bands (ev): -8.3781 -8.3781 -7.9130 -7.9130 1.1122 1.1122 1.8202 1.8202 2.0695 2.0695 2.1746 2.1746 2.2488 2.2488 2.7757 2.7757 2.8190 2.8190 3.3117 3.3117 3.4464 3.4464 3.9158 3.9158 5.5388 5.5388 5.8683 5.8683 6.6443 6.6443 7.2147 7.2147 7.3169 7.3169 7.8159 7.8159 12.9603 12.9603 13.6528 13.6528 15.2895 15.2895 15.6138 15.6138 k = 0.2908-0.4998 0.0000 ( 2217 PWs) bands (ev): -8.3817 -8.3817 -7.9130 -7.9130 1.1147 1.1147 1.8218 1.8218 2.0676 2.0676 2.1723 2.1723 2.2502 2.2502 2.7715 2.7715 2.8168 2.8168 3.3040 3.3040 3.4302 3.4302 3.9226 3.9226 5.5451 5.5451 5.9024 5.9024 6.6201 6.6201 7.2144 7.2144 7.3111 7.3111 7.8368 7.8368 12.8944 12.8944 13.6456 13.6456 15.3637 15.3637 15.6102 15.6102 k = 0.2853-0.4903 0.0000 ( 2221 PWs) bands (ev): -8.3859 -8.3859 -7.9130 -7.9130 1.1168 1.1168 1.8230 1.8230 2.0649 2.0649 2.1691 2.1691 2.2527 2.2527 2.7661 2.7661 2.8162 2.8162 3.2964 3.2964 3.4148 3.4148 3.9292 3.9292 5.5524 5.5524 5.9359 5.9359 6.5915 6.5915 7.2149 7.2149 7.3066 7.3066 7.8594 7.8594 12.8249 12.8249 13.6496 13.6496 15.4341 15.4341 15.6083 15.6083 k = 0.2798-0.4809 0.0000 ( 2221 PWs) bands (ev): -8.3905 -8.3905 -7.9129 -7.9129 1.1184 1.1184 1.8238 1.8238 2.0615 2.0615 2.1656 2.1656 2.2557 2.2557 2.7597 2.7597 2.8171 2.8171 3.2886 3.2886 3.4002 3.4002 3.9356 3.9356 5.5605 5.5605 5.9689 5.9689 6.5587 6.5587 7.2152 7.2152 7.3054 7.3054 7.8830 7.8830 12.7533 12.7533 13.6635 13.6635 15.4944 15.4944 15.6140 15.6140 k = 0.2743-0.4715 0.0000 ( 2217 PWs) bands (ev): -8.3957 -8.3957 -7.9129 -7.9129 1.1194 1.1194 1.8242 1.8242 2.0575 2.0575 2.1622 2.1622 2.2587 2.2587 2.7526 2.7526 2.8192 2.8192 3.2807 3.2807 3.3866 3.3866 3.9418 3.9418 5.5694 5.5694 6.0013 6.0013 6.5221 6.5221 7.2140 7.2140 7.3089 7.3089 7.9069 7.9069 12.6809 12.6809 13.6862 13.6862 15.5300 15.5300 15.6414 15.6414 k = 0.2688-0.4621 0.0000 ( 2217 PWs) bands (ev): -8.4014 -8.4014 -7.9128 -7.9128 1.1200 1.1200 1.8244 1.8244 2.0531 2.0531 2.1589 2.1589 2.2613 2.2613 2.7452 2.7452 2.8222 2.8222 3.2725 3.2725 3.3740 3.3740 3.9476 3.9476 5.5788 5.5788 6.0329 6.0329 6.4823 6.4823 7.2111 7.2111 7.3180 7.3180 7.9305 7.9305 12.6083 12.6083 13.7171 13.7171 15.5382 15.5382 15.6930 15.6930 k = 0.2633-0.4526 0.0000 ( 2211 PWs) bands (ev): -8.4076 -8.4076 -7.9127 -7.9127 1.1200 1.1200 1.8243 1.8243 2.0483 2.0483 2.1558 2.1558 2.2634 2.2634 2.7376 2.7376 2.8260 2.8260 3.2638 3.2638 3.3627 3.3627 3.9530 3.9530 5.5885 5.5885 6.0635 6.0635 6.4401 6.4401 7.2068 7.2068 7.3321 7.3321 7.9534 7.9534 12.5360 12.5360 13.7557 13.7557 15.5345 15.5345 15.7527 15.7527 k = 0.2579-0.4432 0.0000 ( 2205 PWs) bands (ev): -8.4143 -8.4143 -7.9126 -7.9126 1.1195 1.1195 1.8240 1.8240 2.0433 2.0433 2.1530 2.1530 2.2648 2.2648 2.7300 2.7300 2.8304 2.8304 3.2545 3.2545 3.3526 3.3526 3.9581 3.9581 5.5983 5.5983 6.0929 6.0929 6.3962 6.3962 7.2023 7.2023 7.3505 7.3505 7.9753 7.9753 12.4642 12.4642 13.8015 13.8015 15.5268 15.5268 15.8120 15.8120 k = 0.2524-0.4338 0.0000 ( 2209 PWs) bands (ev): -8.4215 -8.4215 -7.9125 -7.9125 1.1184 1.1184 1.8235 1.8235 2.0382 2.0382 2.1502 2.1502 2.2654 2.2654 2.7225 2.7225 2.8351 2.8351 3.2444 3.2444 3.3438 3.3438 3.9628 3.9628 5.6078 5.6078 6.1203 6.1203 6.3521 6.3521 7.1983 7.1983 7.3721 7.3721 7.9959 7.9959 12.3930 12.3930 13.8543 13.8543 15.5176 15.5176 15.8676 15.8676 k = 0.2469-0.4243 0.0000 ( 2205 PWs) bands (ev): -8.4292 -8.4292 -7.9124 -7.9124 1.1167 1.1167 1.8228 1.8228 2.0331 2.0331 2.1476 2.1476 2.2652 2.2652 2.7153 2.7153 2.8402 2.8402 3.2337 3.2337 3.3366 3.3366 3.9671 3.9671 5.6165 5.6165 6.1441 6.1441 6.3104 6.3104 7.1955 7.1955 7.3965 7.3965 8.0152 8.0152 12.3224 12.3224 13.9137 13.9137 15.5080 15.5080 15.9178 15.9178 k = 0.2414-0.4149 0.0000 ( 2207 PWs) bands (ev): -8.4375 -8.4375 -7.9123 -7.9123 1.1145 1.1145 1.8219 1.8219 2.0282 2.0282 2.1450 2.1450 2.2642 2.2642 2.7084 2.7084 2.8456 2.8456 3.2222 3.2222 3.3306 3.3306 3.9710 3.9710 5.6238 5.6238 6.1591 6.1591 6.2770 6.2770 7.1941 7.1941 7.4231 7.4231 8.0329 8.0329 12.2523 12.2523 13.9795 13.9795 15.4985 15.4985 15.9609 15.9609 k = 0.2359-0.4055 0.0000 ( 2209 PWs) bands (ev): -8.4461 -8.4461 -7.9121 -7.9121 1.1117 1.1117 1.8208 1.8208 2.0234 2.0234 2.1424 2.1424 2.2624 2.2624 2.7019 2.7019 2.8510 2.8510 3.2102 3.2102 3.3260 3.3260 3.9744 3.9744 5.6288 5.6288 6.1547 6.1547 6.2640 6.2640 7.1944 7.1944 7.4517 7.4517 8.0490 8.0490 12.1827 12.1827 14.0514 14.0514 15.4897 15.4897 15.9957 15.9957 k = 0.2304-0.3960 0.0000 ( 2207 PWs) bands (ev): -8.4553 -8.4553 -7.9119 -7.9119 1.1084 1.1084 1.8196 1.8196 2.0189 2.0189 2.1398 2.1398 2.2597 2.2597 2.6959 2.6959 2.8564 2.8564 3.1979 3.1979 3.3225 3.3225 3.9774 3.9774 5.6302 5.6302 6.1305 6.1305 6.2733 6.2733 7.1967 7.1967 7.4819 7.4819 8.0636 8.0636 12.1134 12.1134 14.1288 14.1288 15.4819 15.4819 16.0211 16.0211 k = 0.2249-0.3866 0.0000 ( 2205 PWs) bands (ev): -8.4649 -8.4649 -7.9118 -7.9118 1.1046 1.1046 1.8181 1.8181 2.0147 2.0147 2.1370 2.1370 2.2563 2.2563 2.6905 2.6905 2.8616 2.8616 3.1854 3.1854 3.3202 3.3202 3.9800 3.9800 5.6267 5.6267 6.1004 6.1004 6.2926 6.2926 7.2011 7.2011 7.5135 7.5135 8.0765 8.0765 12.0444 12.0444 14.2112 14.2112 15.4755 15.4755 16.0362 16.0362 k = 0.2195-0.3772 0.0000 ( 2207 PWs) bands (ev): -8.4749 -8.4749 -7.9116 -7.9116 1.1002 1.1002 1.8164 1.8164 2.0106 2.0106 2.1341 2.1341 2.2520 2.2520 2.6856 2.6856 2.8666 2.8666 3.1729 3.1729 3.3188 3.3188 3.9821 3.9821 5.6166 5.6166 6.0733 6.0733 6.3151 6.3151 7.2076 7.2076 7.5463 7.5463 8.0878 8.0878 11.9755 11.9755 14.2979 14.2979 15.4709 15.4709 16.0406 16.0406 k = 0.2140-0.3678 0.0000 ( 2209 PWs) bands (ev): -8.4853 -8.4853 -7.9114 -7.9114 1.0953 1.0953 1.8145 1.8145 2.0069 2.0069 2.1309 2.1309 2.2470 2.2470 2.6813 2.6813 2.8712 2.8712 3.1606 3.1606 3.3182 3.3182 3.9838 3.9838 5.5988 5.5988 6.0531 6.0531 6.3382 6.3382 7.2163 7.2163 7.5800 7.5800 8.0976 8.0976 11.9066 11.9066 14.3879 14.3879 15.4685 15.4685 16.0345 16.0345 k = 0.2085-0.3583 0.0000 ( 2207 PWs) bands (ev): -8.4960 -8.4960 -7.9111 -7.9111 1.0900 1.0900 1.8123 1.8123 2.0034 2.0034 2.1276 2.1276 2.2413 2.2413 2.6778 2.6778 2.8754 2.8754 3.1488 3.1488 3.3185 3.3185 3.9850 3.9850 5.5728 5.5728 6.0414 6.0414 6.3611 6.3611 7.2271 7.2271 7.6146 7.6146 8.1059 8.1059 11.8377 11.8377 14.4797 14.4797 15.4689 15.4689 16.0186 16.0186 k = 0.2030-0.3489 0.0000 ( 2209 PWs) bands (ev): -8.5071 -8.5071 -7.9109 -7.9109 1.0842 1.0842 1.8098 1.8098 2.0001 2.0001 2.1239 2.1239 2.2350 2.2350 2.6748 2.6748 2.8789 2.8789 3.1375 3.1375 3.3196 3.3196 3.9858 3.9858 5.5392 5.5392 6.0383 6.0383 6.3834 6.3834 7.2402 7.2402 7.6499 7.6499 8.1129 8.1129 11.7686 11.7686 14.5718 14.5718 15.4723 15.4723 15.9947 15.9947 k = 0.1975-0.3395 0.0000 ( 2209 PWs) bands (ev): -8.5185 -8.5185 -7.9106 -7.9106 1.0780 1.0780 1.8071 1.8071 1.9970 1.9970 2.1199 2.1199 2.2281 2.2281 2.6726 2.6726 2.8817 2.8817 3.1269 3.1269 3.3214 3.3214 3.9861 3.9861 5.4996 5.4996 6.0428 6.0428 6.4048 6.4048 7.2554 7.2554 7.6856 7.6856 8.1186 8.1186 11.6993 11.6993 14.6617 14.6617 15.4788 15.4788 15.9656 15.9656 k = 0.1920-0.3300 0.0000 ( 2213 PWs) bands (ev): -8.5302 -8.5302 -7.9104 -7.9104 1.0714 1.0714 1.8040 1.8040 1.9940 1.9940 2.1155 2.1155 2.2207 2.2207 2.6709 2.6709 2.8836 2.8836 3.1172 3.1172 3.3239 3.3239 3.9859 3.9859 5.4555 5.4555 6.0539 6.0539 6.4251 6.4251 7.2726 7.2726 7.7216 7.7216 8.1233 8.1233 11.6297 11.6297 14.7466 14.7466 15.4873 15.4873 15.9362 15.9362 k = 0.1865-0.3206 0.0000 ( 2215 PWs) bands (ev): -8.5422 -8.5422 -7.9101 -7.9101 1.0644 1.0644 1.8005 1.8005 1.9910 1.9910 2.1107 2.1107 2.2130 2.2130 2.6699 2.6699 2.8847 2.8847 3.1085 3.1085 3.3271 3.3271 3.9853 3.9853 5.4086 5.4086 6.0701 6.0701 6.4442 6.4442 7.2918 7.2918 7.7579 7.7579 8.1271 8.1271 11.5599 11.5599 14.8231 14.8231 15.4941 15.4941 15.9144 15.9144 k = 0.1811-0.3112 0.0000 ( 2215 PWs) bands (ev): -8.5543 -8.5543 -7.9098 -7.9098 1.0570 1.0570 1.7967 1.7967 1.9880 1.9880 2.1055 2.1055 2.2051 2.2051 2.6696 2.6696 2.8850 2.8850 3.1009 3.1009 3.3309 3.3309 3.9841 3.9841 5.3602 5.3602 6.0906 6.0906 6.4621 6.4621 7.3129 7.3129 7.7941 7.7941 8.1303 8.1303 11.4897 11.4897 14.8880 14.8880 15.4917 15.4917 15.9117 15.9117 k = 0.1756-0.3017 0.0000 ( 2211 PWs) bands (ev): -8.5666 -8.5666 -7.9096 -7.9096 1.0494 1.0494 1.7926 1.7926 1.9850 1.9850 2.0997 2.0997 2.1971 2.1971 2.6698 2.6698 2.8844 2.8844 3.0943 3.0943 3.3353 3.3353 3.9824 3.9824 5.3114 5.3114 6.1146 6.1146 6.4788 6.4788 7.3355 7.3355 7.8302 7.8302 8.1331 8.1331 11.4192 11.4192 14.9390 14.9390 15.4725 15.4725 15.9390 15.9390 k = 0.1701-0.2923 0.0000 ( 2207 PWs) bands (ev): -8.5791 -8.5791 -7.9093 -7.9093 1.0415 1.0415 1.7880 1.7880 1.9818 1.9818 2.0934 2.0934 2.1891 2.1891 2.6706 2.6706 2.8831 2.8831 3.0888 3.0888 3.3403 3.3403 3.9803 3.9803 5.2629 5.2629 6.1416 6.1416 6.4940 6.4940 7.3595 7.3595 7.8659 7.8659 8.1358 8.1358 11.3485 11.3485 14.9750 14.9750 15.4350 15.4350 15.9996 15.9996 k = 0.1646-0.2829 0.0000 ( 2207 PWs) bands (ev): -8.5916 -8.5916 -7.9090 -7.9090 1.0333 1.0333 1.7831 1.7831 1.9782 1.9782 2.0866 2.0866 2.1813 2.1813 2.6719 2.6719 2.8811 2.8811 3.0843 3.0843 3.3459 3.3459 3.9776 3.9776 5.2153 5.2153 6.1711 6.1711 6.5079 6.5079 7.3845 7.3845 7.9012 7.9012 8.1388 8.1388 11.2774 11.2774 14.9956 14.9956 15.3848 15.3848 16.0889 16.0889 k = 0.1591-0.2735 0.0000 ( 2205 PWs) bands (ev): -8.6043 -8.6043 -7.9087 -7.9087 1.0250 1.0250 1.7778 1.7778 1.9741 1.9741 2.0792 2.0792 2.1738 2.1738 2.6735 2.6735 2.8785 2.8785 3.0807 3.0807 3.3519 3.3519 3.9744 3.9744 5.1693 5.1693 6.2030 6.2030 6.5204 6.5204 7.4102 7.4102 7.9359 7.9359 8.1425 8.1425 11.2061 11.2061 14.9998 14.9998 15.3303 15.3303 16.1999 16.1999 k = 0.1536-0.2640 0.0000 ( 2203 PWs) bands (ev): -8.6169 -8.6169 -7.9084 -7.9084 1.0164 1.0164 1.7721 1.7721 1.9694 1.9694 2.0714 2.0714 2.1667 2.1667 2.6756 2.6756 2.8755 2.8755 3.0780 3.0780 3.3584 3.3584 3.9707 3.9707 5.1251 5.1251 6.2369 6.2369 6.5317 6.5317 7.4361 7.4361 7.9699 7.9699 8.1473 8.1473 11.1346 11.1346 14.9851 14.9851 15.2800 15.2800 16.3270 16.3270 k = 0.1481-0.2546 0.0000 ( 2199 PWs) bands (ev): -8.6296 -8.6296 -7.9081 -7.9081 1.0077 1.0077 1.7661 1.7661 1.9640 1.9640 2.0635 2.0635 2.1601 2.1601 2.6780 2.6780 2.8722 2.8722 3.0760 3.0760 3.3653 3.3653 3.9665 3.9665 5.0830 5.0830 6.2727 6.2727 6.5417 6.5417 7.4617 7.4617 8.0028 8.0028 8.1537 8.1537 11.0630 11.0630 14.9489 14.9489 15.2409 15.2409 16.4663 16.4663 k = 0.1426-0.2452 0.0000 ( 2195 PWs) bands (ev): -8.6422 -8.6422 -7.9078 -7.9078 0.9989 0.9989 1.7596 1.7596 1.9575 1.9575 2.0556 2.0556 2.1539 2.1539 2.6807 2.6807 2.8689 2.8689 3.0746 3.0746 3.3725 3.3725 3.9619 3.9619 5.0433 5.0433 6.3103 6.3103 6.5505 6.5505 7.4866 7.4866 8.0347 8.0347 8.1623 8.1623 10.9913 10.9913 14.8922 14.8922 15.2151 15.2151 16.6147 16.6147 k = 0.1372-0.2357 0.0000 ( 2195 PWs) bands (ev): -8.6547 -8.6547 -7.9075 -7.9075 0.9899 0.9899 1.7528 1.7528 1.9500 1.9500 2.0480 2.0480 2.1482 2.1482 2.6835 2.6835 2.8654 2.8654 3.0737 3.0737 3.3799 3.3799 3.9570 3.9570 5.0061 5.0061 6.3494 6.3494 6.5583 6.5583 7.5100 7.5100 8.0653 8.0653 8.1734 8.1734 10.9197 10.9197 14.8203 14.8203 15.1995 15.1995 16.7704 16.7704 k = 0.1317-0.2263 0.0000 ( 2195 PWs) bands (ev): -8.6670 -8.6670 -7.9072 -7.9072 0.9810 0.9810 1.7456 1.7456 1.9413 1.9413 2.0407 2.0407 2.1429 2.1429 2.6865 2.6865 2.8620 2.8620 3.0734 3.0734 3.3875 3.3875 3.9516 3.9516 4.9714 4.9714 6.3898 6.3898 6.5653 6.5653 7.5315 7.5315 8.0946 8.0946 8.1875 8.1875 10.8481 10.8481 14.7389 14.7389 15.1899 15.1899 16.9316 16.9316 k = 0.1262-0.2169 0.0000 ( 2191 PWs) bands (ev): -8.6793 -8.6793 -7.9069 -7.9069 0.9720 0.9720 1.7380 1.7380 1.9315 1.9315 2.0341 2.0341 2.1379 2.1379 2.6895 2.6895 2.8588 2.8588 3.0734 3.0734 3.3952 3.3952 3.9461 3.9461 4.9393 4.9393 6.4311 6.4311 6.5719 6.5719 7.5507 7.5507 8.1224 8.1224 8.2050 8.2050 10.7769 10.7769 14.6520 14.6520 15.1837 15.1837 17.0974 17.0974 k = 0.1207-0.2075 0.0000 ( 2191 PWs) bands (ev): -8.6913 -8.6913 -7.9066 -7.9066 0.9631 0.9631 1.7300 1.7300 1.9208 1.9208 2.0281 2.0281 2.1333 2.1333 2.6926 2.6926 2.8557 2.8557 3.0738 3.0738 3.4029 3.4029 3.9403 3.9403 4.9099 4.9099 6.4724 6.4724 6.5791 6.5791 7.5672 7.5672 8.1488 8.1488 8.2260 8.2260 10.7060 10.7060 14.5620 14.5620 15.1793 15.1793 17.2666 17.2666 k = 0.1152-0.1980 0.0000 ( 2183 PWs) bands (ev): -8.7030 -8.7030 -7.9063 -7.9063 0.9542 0.9542 1.7216 1.7216 1.9094 1.9094 2.0228 2.0228 2.1291 2.1291 2.6957 2.6957 2.8528 2.8528 3.0746 3.0746 3.4106 3.4106 3.9345 3.9345 4.8830 4.8830 6.5109 6.5109 6.5895 6.5895 7.5807 7.5807 8.1737 8.1737 8.2505 8.2505 10.6357 10.6357 14.4705 14.4705 15.1759 15.1759 17.4386 17.4386 k = 0.1097-0.1886 0.0000 ( 2183 PWs) bands (ev): -8.7145 -8.7145 -7.9061 -7.9061 0.9454 0.9454 1.7129 1.7129 1.8975 1.8975 2.0179 2.0179 2.1250 2.1250 2.6986 2.6986 2.8502 2.8502 3.0756 3.0756 3.4182 3.4182 3.9286 3.9286 4.8586 4.8586 6.5402 6.5402 6.6097 6.6097 7.5913 7.5913 8.1968 8.1968 8.2784 8.2784 10.5660 10.5660 14.3786 14.3786 15.1731 15.1731 17.6126 17.6126 k = 0.1042-0.1792 0.0000 ( 2183 PWs) bands (ev): -8.7257 -8.7257 -7.9058 -7.9058 0.9367 0.9367 1.7037 1.7037 1.8855 1.8855 2.0134 2.0134 2.1212 2.1212 2.7015 2.7015 2.8477 2.8477 3.0769 3.0769 3.4256 3.4256 3.9229 3.9229 4.8366 4.8366 6.5552 6.5552 6.6446 6.6446 7.5990 7.5990 8.2180 8.2180 8.3097 8.3097 10.4973 10.4973 14.2871 14.2871 15.1706 15.1706 17.7879 17.7879 k = 0.0988-0.1697 0.0000 ( 2183 PWs) bands (ev): -8.7365 -8.7365 -7.9055 -7.9055 0.9282 0.9282 1.6942 1.6942 1.8734 1.8734 2.0092 2.0092 2.1176 2.1176 2.7042 2.7042 2.8456 2.8456 3.0784 3.0784 3.4327 3.4327 3.9173 3.9173 4.8169 4.8169 6.5613 6.5613 6.6889 6.6889 7.6040 7.6040 8.2369 8.2369 8.3439 8.3439 10.4297 10.4297 14.1966 14.1966 15.1683 15.1683 17.9639 17.9639 k = 0.0933-0.1603 0.0000 ( 2177 PWs) bands (ev): -8.7469 -8.7469 -7.9053 -7.9053 0.9199 0.9199 1.6843 1.6843 1.8617 1.8617 2.0054 2.0054 2.1142 2.1142 2.7069 2.7069 2.8437 2.8437 3.0801 3.0801 3.4396 3.4396 3.9119 3.9119 4.7993 4.7993 6.5637 6.5637 6.7374 6.7374 7.6068 7.6068 8.2535 8.2535 8.3807 8.3807 10.3634 10.3634 14.1075 14.1075 15.1663 15.1663 18.1400 18.1400 k = 0.0878-0.1509 0.0000 ( 2177 PWs) bands (ev): -8.7570 -8.7570 -7.9050 -7.9050 0.9119 0.9119 1.6742 1.6742 1.8504 1.8504 2.0016 2.0016 2.1110 2.1110 2.7093 2.7093 2.8420 2.8420 3.0820 3.0820 3.4462 3.4462 3.9069 3.9069 4.7836 4.7836 6.5642 6.5642 6.7882 6.7882 7.6076 7.6076 8.2674 8.2674 8.4196 8.4196 10.2988 10.2988 14.0204 14.0204 15.1644 15.1644 18.3155 18.3155 k = 0.0823-0.1414 0.0000 ( 2179 PWs) bands (ev): -8.7666 -8.7666 -7.9048 -7.9048 0.9040 0.9040 1.6638 1.6638 1.8397 1.8397 1.9981 1.9981 2.1080 2.1080 2.7115 2.7115 2.8406 2.8406 3.0840 3.0840 3.4524 3.4524 3.9022 3.9022 4.7698 4.7698 6.5635 6.5635 6.8403 6.8403 7.6069 7.6069 8.2785 8.2785 8.4600 8.4600 10.2361 10.2361 13.9356 13.9356 15.1625 15.1625 18.4897 18.4897 k = 0.0768-0.1320 0.0000 ( 2183 PWs) bands (ev): -8.7757 -8.7757 -7.9046 -7.9046 0.8965 0.8965 1.6533 1.6533 1.8296 1.8296 1.9946 1.9946 2.1051 2.1051 2.7135 2.7135 2.8393 2.8393 3.0860 3.0860 3.4581 3.4581 3.8980 3.8980 4.7577 4.7577 6.5621 6.5621 6.8934 6.8934 7.6048 7.6048 8.2868 8.2868 8.5012 8.5012 10.1756 10.1756 13.8537 13.8537 15.1608 15.1608 18.6619 18.6619 k = 0.0713-0.1226 0.0000 ( 2183 PWs) bands (ev): -8.7843 -8.7843 -7.9044 -7.9044 0.8894 0.8894 1.6428 1.6428 1.8203 1.8203 1.9913 1.9913 2.1025 2.1025 2.7153 2.7153 2.8383 2.8383 3.0882 3.0882 3.4635 3.4635 3.8942 3.8942 4.7471 4.7471 6.5601 6.5601 6.9472 6.9472 7.6019 7.6019 8.2921 8.2921 8.5427 8.5427 10.1176 10.1176 13.7750 13.7750 15.1591 15.1591 18.8312 18.8312 k = 0.0658-0.1132 0.0000 ( 2181 PWs) bands (ev): -8.7924 -8.7924 -7.9042 -7.9042 0.8826 0.8826 1.6325 1.6325 1.8118 1.8118 1.9882 1.9882 2.1001 2.1001 2.7169 2.7169 2.8375 2.8375 3.0904 3.0904 3.4684 3.4684 3.8909 3.8909 4.7379 4.7379 6.5578 6.5578 7.0011 7.0011 7.5983 7.5983 8.2944 8.2944 8.5840 8.5840 10.0625 10.0625 13.6998 13.6998 15.1576 15.1576 18.9968 18.9968 k = 0.0604-0.1037 0.0000 ( 2175 PWs) bands (ev): -8.7999 -8.7999 -7.9040 -7.9040 0.8762 0.8762 1.6225 1.6225 1.8041 1.8041 1.9852 1.9852 2.0979 2.0979 2.7184 2.7184 2.8370 2.8370 3.0926 3.0926 3.4729 3.4729 3.8880 3.8880 4.7299 4.7299 6.5552 6.5552 7.0550 7.0550 7.5943 7.5943 8.2937 8.2937 8.6244 8.6244 10.0105 10.0105 13.6287 13.6287 15.1562 15.1562 19.1575 19.1575 k = 0.0549-0.0943 0.0000 ( 2173 PWs) bands (ev): -8.8068 -8.8068 -7.9038 -7.9038 0.8703 0.8703 1.6127 1.6127 1.7971 1.7971 1.9823 1.9823 2.0959 2.0959 2.7196 2.7196 2.8365 2.8365 3.0947 3.0947 3.4769 3.4769 3.8855 3.8855 4.7231 4.7231 6.5525 6.5525 7.1083 7.1083 7.5900 7.5900 8.2899 8.2899 8.6635 8.6635 9.9621 9.9621 13.5619 13.5619 15.1549 15.1549 19.3123 19.3123 k = 0.0494-0.0849 0.0000 ( 2169 PWs) bands (ev): -8.8132 -8.8132 -7.9037 -7.9037 0.8648 0.8648 1.6035 1.6035 1.7910 1.7910 1.9796 1.9796 2.0940 2.0940 2.7207 2.7207 2.8362 2.8362 3.0968 3.0968 3.4805 3.4805 3.8835 3.8835 4.7172 4.7172 6.5497 6.5497 7.1606 7.1606 7.5858 7.5858 8.2832 8.2832 8.7006 8.7006 9.9174 9.9174 13.4999 13.4999 15.1537 15.1537 19.4598 19.4598 k = 0.0439-0.0754 0.0000 ( 2177 PWs) bands (ev): -8.8189 -8.8189 -7.9036 -7.9036 0.8598 0.8598 1.5949 1.5949 1.7855 1.7855 1.9771 1.9771 2.0923 2.0923 2.7214 2.7214 2.8360 2.8360 3.0987 3.0987 3.4837 3.4837 3.8818 3.8818 4.7122 4.7122 6.5470 6.5470 7.2114 7.2114 7.5817 7.5817 8.2739 8.2739 8.7354 8.7354 9.8768 9.8768 13.4432 13.4432 15.1525 15.1525 19.5986 19.5986 k = 0.0384-0.0660 0.0000 ( 2185 PWs) bands (ev): -8.8240 -8.8240 -7.9034 -7.9034 0.8553 0.8553 1.5870 1.5870 1.7807 1.7807 1.9747 1.9747 2.0908 2.0908 2.7220 2.7220 2.8358 2.8358 3.1004 3.1004 3.4864 3.4864 3.8804 3.8804 4.7081 4.7081 6.5443 6.5443 7.2600 7.2600 7.5780 7.5780 8.2624 8.2624 8.7673 8.7673 9.8405 9.8405 13.3919 13.3919 15.1515 15.1515 19.7270 19.7270 k = 0.0329-0.0566 0.0000 ( 2193 PWs) bands (ev): -8.8285 -8.8285 -7.9033 -7.9033 0.8514 0.8514 1.5799 1.5799 1.7766 1.7766 1.9727 1.9727 2.0895 2.0895 2.7224 2.7224 2.8357 2.8357 3.1020 3.1020 3.4887 3.4887 3.8794 3.8794 4.7046 4.7046 6.5419 6.5419 7.3055 7.3055 7.5746 7.5746 8.2492 8.2492 8.7960 8.7960 9.8088 9.8088 13.3467 13.3467 15.1506 15.1506 19.8433 19.8433 k = 0.0274-0.0471 0.0000 ( 2193 PWs) bands (ev): -8.8323 -8.8323 -7.9032 -7.9032 0.8480 0.8480 1.5738 1.5738 1.7732 1.7732 1.9709 1.9709 2.0885 2.0885 2.7229 2.7229 2.8357 2.8357 3.1034 3.1034 3.4907 3.4907 3.8786 3.8786 4.7019 4.7019 6.5398 6.5398 7.3471 7.3471 7.5717 7.5717 8.2351 8.2351 8.8209 8.8209 9.7818 9.7818 13.3077 13.3077 15.1498 15.1498 19.9457 19.9457 k = 0.0219-0.0377 0.0000 ( 2189 PWs) bands (ev): -8.8354 -8.8354 -7.9032 -7.9032 0.8453 0.8453 1.5688 1.5688 1.7704 1.7704 1.9694 1.9694 2.0876 2.0876 2.7233 2.7233 2.8357 2.8357 3.1045 3.1045 3.4923 3.4923 3.8780 3.8780 4.6997 4.6997 6.5379 6.5379 7.3835 7.3835 7.5695 7.5695 8.2211 8.2211 8.8419 8.8419 9.7596 9.7596 13.2753 13.2753 15.1492 15.1492 20.0324 20.0324 k = 0.0165-0.0283 0.0000 ( 2189 PWs) bands (ev): -8.8379 -8.8379 -7.9031 -7.9031 0.8431 0.8431 1.5648 1.5648 1.7683 1.7683 1.9682 1.9682 2.0870 2.0870 2.7235 2.7235 2.8358 2.8358 3.1055 3.1055 3.4935 3.4935 3.8776 3.8776 4.6980 4.6980 6.5364 6.5364 7.4136 7.4136 7.5679 7.5679 8.2083 8.2083 8.8586 8.8586 9.7423 9.7423 13.2498 13.2498 15.1487 15.1487 20.1018 20.1018 k = 0.0110-0.0189 0.0000 ( 2191 PWs) bands (ev): -8.8396 -8.8396 -7.9031 -7.9031 0.8415 0.8415 1.5619 1.5619 1.7668 1.7668 1.9674 1.9674 2.0865 2.0865 2.7237 2.7237 2.8358 2.8358 3.1061 3.1061 3.4943 3.4943 3.8773 3.8773 4.6969 4.6969 6.5353 6.5353 7.4362 7.4362 7.5670 7.5670 8.1979 8.1979 8.8706 8.8706 9.7299 9.7299 13.2315 13.2315 15.1483 15.1483 20.1525 20.1525 k = 0.0055-0.0094 0.0000 ( 2193 PWs) bands (ev): -8.8407 -8.8407 -7.9030 -7.9030 0.8406 0.8406 1.5601 1.5601 1.7659 1.7659 1.9669 1.9669 2.0862 2.0862 2.7238 2.7238 2.8359 2.8359 3.1065 3.1065 3.4948 3.4948 3.8771 3.8771 4.6962 4.6962 6.5347 6.5347 7.4501 7.4501 7.5665 7.5665 8.1911 8.1911 8.8779 8.8779 9.7224 9.7224 13.2204 13.2204 15.1480 15.1480 20.1833 20.1833 k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): -8.8410 -8.8410 -7.9030 -7.9030 0.8403 0.8403 1.5596 1.5596 1.7656 1.7656 1.9667 1.9667 2.0861 2.0861 2.7239 2.7239 2.8359 2.8359 3.1067 3.1067 3.4950 3.4950 3.8771 3.8771 4.6959 4.6959 6.5345 6.5345 7.4548 7.4548 7.5664 7.5664 8.1887 8.1887 8.8804 8.8804 9.7200 9.7200 13.2167 13.2167 15.1480 15.1480 20.1936 20.1936 k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): -8.8410 -8.8410 -7.9030 -7.9030 0.8403 0.8403 1.5596 1.5596 1.7656 1.7656 1.9667 1.9667 2.0861 2.0861 2.7239 2.7239 2.8359 2.8359 3.1067 3.1067 3.4950 3.4950 3.8771 3.8771 4.6959 4.6959 6.5345 6.5345 7.4548 7.4548 7.5664 7.5664 8.1887 8.1887 8.8804 8.8804 9.7200 9.7200 13.2167 13.2167 15.1480 15.1480 20.1936 20.1936 k = 0.0094-0.0054-0.0001 ( 2192 PWs) bands (ev): -8.8406 -8.8406 -7.9031 -7.9031 0.8407 0.8407 1.5601 1.5601 1.7659 1.7659 1.9669 1.9669 2.0861 2.0861 2.7238 2.7238 2.8358 2.8358 3.1065 3.1065 3.4949 3.4949 3.8771 3.8771 4.6960 4.6960 6.5343 6.5343 7.4512 7.4512 7.5654 7.5654 8.1917 8.1917 8.8785 8.8785 9.7219 9.7219 13.2204 13.2204 15.1478 15.1478 20.1858 20.1858 k = 0.0189-0.0107-0.0002 ( 2190 PWs) bands (ev): -8.8396 -8.8396 -7.9031 -7.9031 0.8420 0.8420 1.5617 1.5617 1.7669 1.7669 1.9673 1.9673 2.0863 2.0863 2.7237 2.7237 2.8356 2.8356 3.1062 3.1062 3.4947 3.4947 3.8771 3.8771 4.6963 4.6963 6.5338 6.5338 7.4402 7.4402 7.5629 7.5629 8.2000 8.2000 8.8729 8.8729 9.7280 9.7280 13.2315 13.2315 15.1474 15.1474 20.1621 20.1621 k = 0.0283-0.0161-0.0004 ( 2190 PWs) bands (ev): -8.8378 -8.8378 -7.9033 -7.9033 0.8441 0.8441 1.5644 1.5644 1.7686 1.7686 1.9680 1.9680 2.0865 2.0865 2.7235 2.7235 2.8353 2.8353 3.1056 3.1056 3.4943 3.4943 3.8772 3.8772 4.6967 4.6967 6.5328 6.5328 7.4218 7.4218 7.5601 7.5601 8.2125 8.2125 8.8638 8.8638 9.7382 9.7382 13.2500 13.2500 15.1467 15.1467 20.1227 20.1227 k = 0.0377-0.0215-0.0005 ( 2189 PWs) bands (ev): -8.8353 -8.8353 -7.9034 -7.9034 0.8470 0.8470 1.5682 1.5682 1.7709 1.7709 1.9691 1.9691 2.0868 2.0868 2.7232 2.7232 2.8348 2.8348 3.1047 3.1047 3.4937 3.4937 3.8773 3.8773 4.6973 4.6973 6.5311 6.5311 7.3968 7.3968 7.5580 7.5580 8.2273 8.2273 8.8516 8.8516 9.7526 9.7526 13.2756 13.2756 15.1457 15.1457 20.0675 20.0675 k = 0.0472-0.0268-0.0006 ( 2190 PWs) bands (ev): -8.8321 -8.8321 -7.9037 -7.9037 0.8508 0.8508 1.5729 1.5729 1.7738 1.7738 1.9704 1.9704 2.0873 2.0873 2.7229 2.7229 2.8343 2.8343 3.1037 3.1037 3.4929 3.4929 3.8775 3.8775 4.6982 4.6982 6.5284 6.5284 7.3664 7.3664 7.5570 7.5570 8.2426 8.2426 8.8365 8.8365 9.7713 9.7713 13.3080 13.3080 15.1444 15.1444 19.9968 19.9968 k = 0.0566-0.0322-0.0007 ( 2189 PWs) bands (ev): -8.8282 -8.8282 -7.9039 -7.9039 0.8554 0.8554 1.5785 1.5785 1.7775 1.7775 1.9720 1.9720 2.0879 2.0879 2.7224 2.7224 2.8336 2.8336 3.1024 3.1024 3.4921 3.4921 3.8778 3.8778 4.6993 4.6993 6.5244 6.5244 7.3326 7.3326 7.5571 7.5571 8.2566 8.2566 8.8193 8.8193 9.7946 9.7946 13.3470 13.3470 15.1428 15.1428 19.9113 19.9113 k = 0.0660-0.0375-0.0008 ( 2188 PWs) bands (ev): -8.8236 -8.8236 -7.9042 -7.9042 0.8608 0.8608 1.5849 1.5849 1.7817 1.7817 1.9738 1.9738 2.0886 2.0886 2.7219 2.7219 2.8329 2.8329 3.1010 3.1010 3.4910 3.4910 3.8783 3.8783 4.7008 4.7008 6.5184 6.5184 7.2971 7.2971 7.5581 7.5581 8.2674 8.2674 8.8007 8.8007 9.8224 9.8224 13.3922 13.3922 15.1409 15.1409 19.8119 19.8119 k = 0.0755-0.0429-0.0010 ( 2184 PWs) bands (ev): -8.8183 -8.8183 -7.9046 -7.9046 0.8669 0.8669 1.5921 1.5921 1.7867 1.7867 1.9759 1.9759 2.0896 2.0896 2.7213 2.7213 2.8321 2.8321 3.0995 3.0995 3.4899 3.4899 3.8789 3.8789 4.7027 4.7027 6.5100 6.5100 7.2615 7.2615 7.5599 7.5599 8.2736 8.2736 8.7814 8.7814 9.8549 9.8549 13.4432 13.4432 15.1389 15.1389 19.6998 19.6998 k = 0.0849-0.0483-0.0011 ( 2183 PWs) bands (ev): -8.8124 -8.8124 -7.9050 -7.9050 0.8738 0.8738 1.5999 1.5999 1.7923 1.7923 1.9783 1.9783 2.0907 2.0907 2.7204 2.7204 2.8313 2.8313 3.0978 3.0978 3.4885 3.4885 3.8797 3.8797 4.7051 4.7051 6.4986 6.4986 7.2273 7.2273 7.5623 7.5623 8.2741 8.2741 8.7622 8.7622 9.8920 9.8920 13.4996 13.4996 15.1366 15.1366 19.5762 19.5762 k = 0.0943-0.0536-0.0012 ( 2183 PWs) bands (ev): -8.8059 -8.8059 -7.9055 -7.9055 0.8814 0.8814 1.6081 1.6081 1.7984 1.7984 1.9809 1.9809 2.0921 2.0921 2.7194 2.7194 2.8305 2.8305 3.0960 3.0960 3.4871 3.4871 3.8808 3.8808 4.7081 4.7081 6.4836 6.4836 7.1957 7.1957 7.5651 7.5651 8.2681 8.2681 8.7438 8.7438 9.9336 9.9336 13.5609 13.5609 15.1340 15.1340 19.4426 19.4426 k = 0.1038-0.0590-0.0013 ( 2181 PWs) bands (ev): -8.7987 -8.7987 -7.9060 -7.9060 0.8897 0.8897 1.6168 1.6168 1.8052 1.8052 1.9838 1.9838 2.0938 2.0938 2.7183 2.7183 2.8297 2.8297 3.0942 3.0942 3.4855 3.4855 3.8821 3.8821 4.7118 4.7118 6.4645 6.4645 7.1678 7.1678 7.5683 7.5683 8.2550 8.2550 8.7267 8.7267 9.9796 9.9796 13.6267 13.6267 15.1312 15.1312 19.3002 19.3002 k = 0.1132-0.0644-0.0014 ( 2179 PWs) bands (ev): -8.7909 -8.7909 -7.9066 -7.9066 0.8987 0.8987 1.6256 1.6256 1.8126 1.8126 1.9870 1.9870 2.0958 2.0958 2.7169 2.7169 2.8290 2.8290 3.0924 3.0924 3.4839 3.4839 3.8838 3.8838 4.7162 4.7162 6.4409 6.4409 7.1441 7.1441 7.5718 7.5718 8.2349 8.2349 8.7112 8.7112 10.0296 10.0296 13.6964 13.6964 15.1284 15.1284 19.1502 19.1502 k = 0.1226-0.0697-0.0016 ( 2182 PWs) bands (ev): -8.7826 -8.7826 -7.9072 -7.9072 0.9083 0.9083 1.6346 1.6346 1.8203 1.8203 1.9904 1.9904 2.0982 2.0982 2.7152 2.7152 2.8283 2.8283 3.0906 3.0906 3.4821 3.4821 3.8858 3.8858 4.7215 4.7215 6.4128 6.4128 7.1251 7.1251 7.5754 7.5754 8.2083 8.2083 8.6970 8.6970 10.0833 10.0833 13.7697 13.7697 15.1254 15.1254 18.9935 18.9935 k = 0.1321-0.0751-0.0017 ( 2186 PWs) bands (ev): -8.7737 -8.7737 -7.9079 -7.9079 0.9184 0.9184 1.6436 1.6436 1.8285 1.8285 1.9942 1.9942 2.1009 2.1009 2.7132 2.7132 2.8277 2.8277 3.0887 3.0887 3.4801 3.4801 3.8882 3.8882 4.7278 4.7278 6.3803 6.3803 7.1108 7.1108 7.5792 7.5792 8.1759 8.1759 8.6841 8.6841 10.1404 10.1404 13.8458 13.8458 15.1224 15.1224 18.8311 18.8311 k = 0.1415-0.0804-0.0018 ( 2185 PWs) bands (ev): -8.7643 -8.7643 -7.9086 -7.9086 0.9291 0.9291 1.6524 1.6524 1.8368 1.8368 1.9985 1.9985 2.1042 2.1042 2.7110 2.7110 2.8273 2.8273 3.0870 3.0870 3.4781 3.4781 3.8910 3.8910 4.7353 4.7353 6.3439 6.3439 7.1009 7.1009 7.5831 7.5831 8.1387 8.1387 8.6719 8.6719 10.2006 10.2006 13.9245 13.9245 15.1195 15.1195 18.6639 18.6639 k = 0.1509-0.0858-0.0019 ( 2189 PWs) bands (ev): -8.7544 -8.7544 -7.9094 -7.9094 0.9403 0.9403 1.6611 1.6611 1.8453 1.8453 2.0031 2.0031 2.1079 2.1079 2.7084 2.7084 2.8272 2.8272 3.0853 3.0853 3.4760 3.4760 3.8941 3.8941 4.7440 4.7440 6.3041 6.3041 7.0949 7.0949 7.5869 7.5869 8.0976 8.0976 8.6601 8.6601 10.2633 10.2633 14.0049 14.0049 15.1168 15.1168 18.4926 18.4926 k = 0.1604-0.0912-0.0020 ( 2187 PWs) bands (ev): -8.7440 -8.7440 -7.9102 -7.9102 0.9519 0.9519 1.6694 1.6694 1.8536 1.8536 2.0083 2.0083 2.1123 2.1123 2.7056 2.7056 2.8273 2.8273 3.0837 3.0837 3.4739 3.4739 3.8977 3.8977 4.7541 4.7541 6.2615 6.2615 7.0922 7.0922 7.5905 7.5905 8.0536 8.0536 8.6485 8.6485 10.3283 10.3283 14.0864 14.0864 15.1147 15.1147 18.3178 18.3178 k = 0.1698-0.0965-0.0022 ( 2186 PWs) bands (ev): -8.7331 -8.7331 -7.9111 -7.9111 0.9640 0.9640 1.6774 1.6774 1.8617 1.8617 2.0140 2.0140 2.1173 2.1173 2.7024 2.7024 2.8277 2.8277 3.0822 3.0822 3.4716 3.4716 3.9017 3.9017 4.7658 4.7658 6.2169 6.2169 7.0923 7.0923 7.5940 7.5940 8.0075 8.0075 8.6367 8.6367 10.3951 10.3951 14.1684 14.1684 15.1133 15.1133 18.1401 18.1401 k = 0.1792-0.1019-0.0023 ( 2190 PWs) bands (ev): -8.7219 -8.7219 -7.9120 -7.9120 0.9765 0.9765 1.6850 1.6850 1.8691 1.8691 2.0202 2.0202 2.1229 2.1229 2.6988 2.6988 2.8283 2.8283 3.0808 3.0808 3.4692 3.4692 3.9061 3.9061 4.7791 4.7791 6.1708 6.1708 7.0943 7.0943 7.5971 7.5971 7.9601 7.9601 8.6246 8.6246 10.4633 10.4633 14.2497 14.2497 15.1132 15.1132 17.9602 17.9602 k = 0.1887-0.1073-0.0024 ( 2191 PWs) bands (ev): -8.7103 -8.7103 -7.9130 -7.9130 0.9892 0.9892 1.6921 1.6921 1.8760 1.8760 2.0270 2.0270 2.1293 2.1293 2.6950 2.6950 2.8294 2.8294 3.0794 3.0794 3.4668 3.4668 3.9108 3.9108 4.7942 4.7942 6.1238 6.1238 7.0977 7.0977 7.5999 7.5999 7.9121 7.9121 8.6121 8.6121 10.5327 10.5327 14.3293 14.3293 15.1152 15.1152 17.7786 17.7786 k = 0.1981-0.1126-0.0025 ( 2196 PWs) bands (ev): -8.6984 -8.6984 -7.9140 -7.9140 1.0023 1.0023 1.6988 1.6988 1.8819 1.8819 2.0342 2.0342 2.1366 2.1366 2.6908 2.6908 2.8308 2.8308 3.0782 3.0782 3.4642 3.4642 3.9159 3.9159 4.8112 4.8112 6.0765 6.0765 7.1018 7.1018 7.6021 7.6021 7.8644 7.8644 8.5992 8.5992 10.6029 10.6029 14.4057 14.4057 15.1203 15.1203 17.5959 17.5959 k = 0.2075-0.1180-0.0026 ( 2193 PWs) bands (ev): -8.6861 -8.6861 -7.9150 -7.9150 1.0157 1.0157 1.7050 1.7050 1.8871 1.8871 2.0419 2.0419 2.1448 2.1448 2.6864 2.6864 2.8326 2.8326 3.0771 3.0771 3.4616 3.4616 3.9213 3.9213 4.8301 4.8301 6.0294 6.0294 7.1060 7.1060 7.6035 7.6035 7.8177 7.8177 8.5859 8.5859 10.6737 10.6737 14.4767 14.4767 15.1300 15.1300 17.4126 17.4126 k = 0.2170-0.1233-0.0028 ( 2196 PWs) bands (ev): -8.6736 -8.6736 -7.9162 -7.9162 1.0292 1.0292 1.7108 1.7108 1.8912 1.8912 2.0496 2.0496 2.1539 2.1539 2.6817 2.6817 2.8347 2.8347 3.0760 3.0760 3.4588 3.4588 3.9269 3.9269 4.8510 4.8510 5.9828 5.9828 7.1098 7.1098 7.6039 7.6039 7.7727 7.7727 8.5723 8.5723 10.7446 10.7446 14.5401 14.5401 15.1461 15.1461 17.2296 17.2296 k = 0.2264-0.1287-0.0029 ( 2199 PWs) bands (ev): -8.6609 -8.6609 -7.9173 -7.9173 1.0429 1.0429 1.7161 1.7161 1.8944 1.8944 2.0574 2.0574 2.1639 2.1639 2.6768 2.6768 2.8372 2.8372 3.0750 3.0750 3.4560 3.4560 3.9328 3.9328 4.8738 4.8738 5.9374 5.9374 7.1125 7.1125 7.6027 7.6027 7.7306 7.7306 8.5583 8.5583 10.8156 10.8156 14.5931 14.5931 15.1707 15.1707 17.0473 17.0473 k = 0.2358-0.1341-0.0030 ( 2200 PWs) bands (ev): -8.6480 -8.6480 -7.9186 -7.9186 1.0567 1.0567 1.7211 1.7211 1.8967 1.8967 2.0650 2.0650 2.1749 2.1749 2.6718 2.6718 2.8401 2.8401 3.0740 3.0740 3.4530 3.4530 3.9388 3.9388 4.8985 4.8985 5.8934 5.8934 7.1135 7.1135 7.5988 7.5988 7.6932 7.6932 8.5441 8.5441 10.8864 10.8864 14.6334 14.6334 15.2053 15.2053 16.8669 16.8669 k = 0.2453-0.1394-0.0031 ( 2203 PWs) bands (ev): -8.6349 -8.6349 -7.9198 -7.9198 1.0706 1.0706 1.7256 1.7256 1.8982 1.8982 2.0724 2.0724 2.1867 2.1867 2.6667 2.6667 2.8433 2.8433 3.0731 3.0731 3.4498 3.4498 3.9450 3.9450 4.9249 4.9249 5.8514 5.8514 7.1122 7.1122 7.5901 7.5901 7.6630 7.6630 8.5297 8.5297 10.9568 10.9568 14.6598 14.6598 15.2502 15.2502 16.6893 16.6893 k = 0.2547-0.1448-0.0032 ( 2204 PWs) bands (ev): -8.6218 -8.6218 -7.9211 -7.9211 1.0845 1.0845 1.7298 1.7298 1.8989 1.8989 2.0793 2.0793 2.1991 2.1991 2.6615 2.6615 2.8469 2.8469 3.0722 3.0722 3.4465 3.4465 3.9512 3.9512 4.9527 4.9527 5.8118 5.8118 7.1080 7.1080 7.5744 7.5744 7.6429 7.6429 8.5151 8.5151 11.0265 11.0265 14.6726 14.6726 15.3039 15.3039 16.5159 16.5159 k = 0.2642-0.1502-0.0034 ( 2203 PWs) bands (ev): -8.6085 -8.6085 -7.9225 -7.9225 1.0984 1.0984 1.7337 1.7337 1.8989 1.8989 2.0860 2.0860 2.2122 2.2122 2.6564 2.6564 2.8507 2.8507 3.0715 3.0715 3.4431 3.4431 3.9576 3.9576 4.9815 4.9815 5.7753 5.7753 7.1004 7.1004 7.5536 7.5536 7.6314 7.6314 8.5005 8.5005 11.0955 11.0955 14.6729 14.6729 15.3631 15.3631 16.3491 16.3491 k = 0.2736-0.1555-0.0035 ( 2204 PWs) bands (ev): -8.5953 -8.5953 -7.9239 -7.9239 1.1123 1.1123 1.7373 1.7373 1.8982 1.8982 2.0922 2.0922 2.2256 2.2256 2.6513 2.6513 2.8547 2.8547 3.0707 3.0707 3.4394 3.4394 3.9640 3.9640 5.0106 5.0106 5.7427 5.7427 7.0893 7.0893 7.5321 7.5321 7.6243 7.6243 8.4858 8.4858 11.1635 11.1635 14.6622 14.6622 15.4228 15.4228 16.1927 16.1927 k = 0.2830-0.1609-0.0036 ( 2204 PWs) bands (ev): -8.5821 -8.5821 -7.9253 -7.9253 1.1260 1.1260 1.7406 1.7406 1.8969 1.8969 2.0980 2.0980 2.2393 2.2393 2.6463 2.6463 2.8588 2.8588 3.0701 3.0701 3.4355 3.4355 3.9704 3.9704 5.0392 5.0392 5.7148 5.7148 7.0745 7.0745 7.5129 7.5129 7.6187 7.6187 8.4712 8.4712 11.2305 11.2305 14.6414 14.6414 15.4744 15.4744 16.0544 16.0544 k = 0.2925-0.1662-0.0037 ( 2207 PWs) bands (ev): -8.5690 -8.5690 -7.9268 -7.9268 1.1397 1.1397 1.7436 1.7436 1.8951 1.8951 2.1034 2.1034 2.2530 2.2530 2.6415 2.6415 2.8631 2.8631 3.0696 3.0696 3.4313 3.4313 3.9768 3.9768 5.0662 5.0662 5.6929 5.6929 7.0564 7.0564 7.4970 7.4970 7.6135 7.6135 8.4565 8.4565 11.2964 11.2964 14.6110 14.6110 15.5010 15.5010 15.9509 15.9509 k = 0.3019-0.1716-0.0038 ( 2210 PWs) bands (ev): -8.5560 -8.5560 -7.9283 -7.9283 1.1531 1.1531 1.7465 1.7465 1.8928 1.8928 2.1085 2.1085 2.2667 2.2667 2.6368 2.6368 2.8674 2.8674 3.0692 3.0692 3.4270 3.4270 3.9832 3.9832 5.0901 5.0901 5.6781 5.6781 7.0354 7.0354 7.4842 7.4842 7.6080 7.6080 8.4419 8.4419 11.3610 11.3610 14.5707 14.5707 15.4780 15.4780 15.9073 15.9073 k = 0.3113-0.1770-0.0040 ( 2208 PWs) bands (ev): -8.5431 -8.5431 -7.9299 -7.9299 1.1664 1.1664 1.7491 1.7491 1.8900 1.8900 2.1132 2.1132 2.2803 2.2803 2.6325 2.6325 2.8717 2.8717 3.0690 3.0690 3.4224 3.4224 3.9896 3.9896 5.1096 5.1096 5.6720 5.6720 7.0124 7.0124 7.4742 7.4742 7.6022 7.6022 8.4273 8.4273 11.4243 11.4243 14.5199 14.5199 15.4050 15.4050 15.9252 15.9252 k = 0.3208-0.1823-0.0041 ( 2211 PWs) bands (ev): -8.5305 -8.5305 -7.9315 -7.9315 1.1794 1.1794 1.7516 1.7516 1.8867 1.8867 2.1175 2.1175 2.2937 2.2937 2.6283 2.6283 2.8757 2.8757 3.0689 3.0689 3.4175 3.4175 3.9959 3.9959 5.1233 5.1233 5.6755 5.6755 6.9881 6.9881 7.4663 7.4663 7.5957 7.5957 8.4128 8.4128 11.4862 11.4862 14.4578 14.4578 15.3102 15.3102 15.9774 15.9774 k = 0.3302-0.1877-0.0042 ( 2212 PWs) bands (ev): -8.5181 -8.5181 -7.9330 -7.9330 1.1922 1.1922 1.7539 1.7539 1.8831 1.8831 2.1216 2.1216 2.3068 2.3068 2.6244 2.6244 2.8796 2.8796 3.0692 3.0692 3.4125 3.4125 4.0022 4.0022 5.1307 5.1307 5.6892 5.6892 6.9633 6.9633 7.4599 7.4599 7.5887 7.5887 8.3983 8.3983 11.5467 11.5467 14.3838 14.3838 15.2139 15.2139 16.0445 16.0445 k = 0.3396-0.1931-0.0043 ( 2214 PWs) bands (ev): -8.5061 -8.5061 -7.9347 -7.9347 1.2046 1.2046 1.7561 1.7561 1.8791 1.8791 2.1252 2.1252 2.3196 2.3196 2.6207 2.6207 2.8833 2.8833 3.0697 3.0697 3.4072 3.4072 4.0085 4.0085 5.1317 5.1317 5.7127 5.7127 6.9387 6.9387 7.4544 7.4544 7.5811 7.5811 8.3840 8.3840 11.6058 11.6058 14.2982 14.2982 15.1251 15.1251 16.1180 16.1180 k = 0.3491-0.1984-0.0044 ( 2213 PWs) bands (ev): -8.4943 -8.4943 -7.9363 -7.9363 1.2167 1.2167 1.7582 1.7582 1.8748 1.8748 2.1286 2.1286 2.3321 2.3321 2.6172 2.6172 2.8866 2.8866 3.0706 3.0706 3.4018 3.4018 4.0146 4.0146 5.1272 5.1272 5.7449 5.7449 6.9150 6.9150 7.4492 7.4492 7.5729 7.5729 8.3697 8.3697 11.6635 11.6635 14.2022 14.2022 15.0465 15.0465 16.1942 16.1942 k = 0.3585-0.2038-0.0046 ( 2208 PWs) bands (ev): -8.4830 -8.4830 -7.9379 -7.9379 1.2284 1.2284 1.7602 1.7602 1.8703 1.8703 2.1316 2.1316 2.3443 2.3443 2.6139 2.6139 2.8897 2.8897 3.0718 3.0718 3.3962 3.3962 4.0206 4.0206 5.1184 5.1184 5.7842 5.7842 6.8926 6.8926 7.4438 7.4438 7.5641 7.5641 8.3555 8.3555 11.7197 11.7197 14.0980 14.0980 14.9783 14.9783 16.2713 16.2713 k = 0.3679-0.2091-0.0047 ( 2210 PWs) bands (ev): -8.4721 -8.4721 -7.9395 -7.9395 1.2396 1.2396 1.7621 1.7621 1.8655 1.8655 2.1343 2.1343 2.3562 2.3562 2.6107 2.6107 2.8922 2.8922 3.0733 3.0733 3.3905 3.3905 4.0265 4.0265 5.1066 5.1066 5.8288 5.8288 6.8722 6.8722 7.4377 7.4377 7.5550 7.5550 8.3415 8.3415 11.7746 11.7746 13.9881 13.9881 14.9192 14.9192 16.3484 16.3484 k = 0.3774-0.2145-0.0048 ( 2212 PWs) bands (ev): -8.4618 -8.4618 -7.9410 -7.9410 1.2504 1.2504 1.7639 1.7639 1.8606 1.8606 2.1366 2.1366 2.3678 2.3678 2.6075 2.6075 2.8944 2.8944 3.0751 3.0751 3.3848 3.3848 4.0322 4.0322 5.0928 5.0928 5.8773 5.8773 6.8541 6.8541 7.4306 7.4306 7.5456 7.5456 8.3277 8.3277 11.8282 11.8282 13.8753 13.8753 14.8680 14.8680 16.4250 16.4250 k = 0.3868-0.2199-0.0049 ( 2213 PWs) bands (ev): -8.4519 -8.4519 -7.9426 -7.9426 1.2607 1.2607 1.7656 1.7656 1.8556 1.8556 2.1386 2.1386 2.3792 2.3792 2.6043 2.6043 2.8963 2.8963 3.0772 3.0772 3.3791 3.3791 4.0377 4.0377 5.0780 5.0780 5.9279 5.9279 6.8390 6.8390 7.4218 7.4218 7.5360 7.5360 8.3141 8.3141 11.8805 11.8805 13.7617 13.7617 14.8230 14.8230 16.5008 16.5008 k = 0.3962-0.2252-0.0050 ( 2209 PWs) bands (ev): -8.4427 -8.4427 -7.9441 -7.9441 1.2704 1.2704 1.7673 1.7673 1.8506 1.8506 2.1403 2.1403 2.3903 2.3903 2.6010 2.6010 2.8978 2.8978 3.0796 3.0796 3.3734 3.3734 4.0429 4.0429 5.0629 5.0629 5.9792 5.9792 6.8274 6.8274 7.4112 7.4112 7.5267 7.5267 8.3009 8.3009 11.9317 11.9317 13.6492 13.6492 14.7834 14.7834 16.5756 16.5756 k = 0.4057-0.2306-0.0052 ( 2210 PWs) bands (ev): -8.4341 -8.4341 -7.9455 -7.9455 1.2796 1.2796 1.7689 1.7689 1.8456 1.8456 2.1417 2.1417 2.4011 2.4011 2.5975 2.5975 2.8990 2.8990 3.0821 3.0821 3.3679 3.3679 4.0479 4.0479 5.0480 5.0480 6.0300 6.0300 6.8196 6.8196 7.3982 7.3982 7.5178 7.5178 8.2883 8.2883 11.9818 11.9818 13.5394 13.5394 14.7482 14.7482 16.6492 16.6492 k = 0.4151-0.2360-0.0053 ( 2209 PWs) bands (ev): -8.4261 -8.4261 -7.9469 -7.9469 1.2880 1.2880 1.7704 1.7704 1.8408 1.8408 2.1428 2.1428 2.4117 2.4117 2.5938 2.5938 2.8999 2.8999 3.0847 3.0847 3.3626 3.3626 4.0525 4.0525 5.0338 5.0338 6.0789 6.0789 6.8164 6.8164 7.3824 7.3824 7.5095 7.5095 8.2762 8.2762 12.0308 12.0308 13.4333 13.4333 14.7170 14.7170 16.7215 16.7215 k = 0.4245-0.2413-0.0054 ( 2209 PWs) bands (ev): -8.4189 -8.4189 -7.9481 -7.9481 1.2958 1.2958 1.7718 1.7718 1.8361 1.8361 2.1437 2.1437 2.4219 2.4219 2.5899 2.5899 2.9006 2.9006 3.0874 3.0874 3.3576 3.3576 4.0567 4.0567 5.0205 5.0205 6.1245 6.1245 6.8182 6.8182 7.3639 7.3639 7.5021 7.5021 8.2649 8.2649 12.0788 12.0788 13.3320 13.3320 14.6894 14.6894 16.7924 16.7924 k = 0.4340-0.2467-0.0055 ( 2213 PWs) bands (ev): -8.4124 -8.4124 -7.9493 -7.9493 1.3028 1.3028 1.7731 1.7731 1.8316 1.8316 2.1443 2.1443 2.4318 2.4318 2.5857 2.5857 2.9011 2.9011 3.0899 3.0899 3.3530 3.3530 4.0606 4.0606 5.0083 5.0083 6.1659 6.1659 6.8253 6.8253 7.3426 7.3426 7.4956 7.4956 8.2545 8.2545 12.1258 12.1258 13.2364 13.2364 14.6651 14.6651 16.8617 16.8617 k = 0.4434-0.2520-0.0056 ( 2214 PWs) bands (ev): -8.4067 -8.4067 -7.9504 -7.9504 1.3090 1.3090 1.7743 1.7743 1.8275 1.8275 2.1448 2.1448 2.4413 2.4413 2.5813 2.5813 2.9015 2.9015 3.0923 3.0923 3.3488 3.3488 4.0640 4.0640 4.9975 4.9975 6.2020 6.2020 6.8377 6.8377 7.3187 7.3187 7.4900 7.4900 8.2451 8.2451 12.1716 12.1716 13.1472 13.1472 14.6441 14.6441 16.9290 16.9290 k = 0.4528-0.2574-0.0058 ( 2214 PWs) bands (ev): -8.4018 -8.4018 -7.9513 -7.9513 1.3144 1.3144 1.7754 1.7754 1.8238 1.8238 2.1452 2.1452 2.4502 2.4502 2.5768 2.5768 2.9018 2.9018 3.0945 3.0945 3.3450 3.3450 4.0670 4.0670 4.9881 4.9881 6.2322 6.2322 6.8550 6.8550 7.2929 7.2929 7.4854 7.4854 8.2370 8.2370 12.2159 12.2159 13.0653 13.0653 14.6263 14.6263 16.9936 16.9936 k = 0.4623-0.2628-0.0059 ( 2217 PWs) bands (ev): -8.3977 -8.3977 -7.9520 -7.9520 1.3188 1.3188 1.7764 1.7764 1.8206 1.8206 2.1454 2.1454 2.4582 2.4582 2.5724 2.5724 2.9020 2.9020 3.0964 3.0964 3.3419 3.3419 4.0694 4.0694 4.9803 4.9803 6.2563 6.2563 6.8762 6.8762 7.2660 7.2660 7.4816 7.4816 8.2301 8.2301 12.2579 12.2579 12.9921 12.9921 14.6117 14.6117 17.0542 17.0542 k = 0.4717-0.2681-0.0060 ( 2216 PWs) bands (ev): -8.3946 -8.3946 -7.9526 -7.9526 1.3223 1.3223 1.7773 1.7773 1.8181 1.8181 2.1456 2.1456 2.4651 2.4651 2.5683 2.5683 2.9021 2.9021 3.0980 3.0980 3.3394 3.3394 4.0714 4.0714 4.9742 4.9742 6.2744 6.2744 6.8992 6.8992 7.2395 7.2395 7.4787 7.4787 8.2247 8.2247 12.2960 12.2960 12.9293 12.9293 14.6003 14.6003 17.1090 17.1090 k = 0.4811-0.2735-0.0061 ( 2216 PWs) bands (ev): -8.3923 -8.3923 -7.9531 -7.9531 1.3249 1.3249 1.7779 1.7779 1.8161 1.8161 2.1457 2.1457 2.4706 2.4706 2.5649 2.5649 2.9022 2.9022 3.0992 3.0992 3.3375 3.3375 4.0728 4.0728 4.9698 4.9698 6.2869 6.2869 6.9209 6.9209 7.2159 7.2159 7.4766 7.4766 8.2207 8.2207 12.3277 12.3277 12.8797 12.8797 14.5921 14.5921 17.1544 17.1544 k = 0.4906-0.2789-0.0062 ( 2216 PWs) bands (ev): -8.3909 -8.3909 -7.9533 -7.9533 1.3264 1.3264 1.7783 1.7783 1.8149 1.8149 2.1458 2.1458 2.4741 2.4741 2.5626 2.5626 2.9023 2.9023 3.0999 3.0999 3.3364 3.3364 4.0736 4.0736 4.9672 4.9672 6.2942 6.2942 6.9372 6.9372 7.1988 7.1988 7.4754 7.4754 8.2183 8.2183 12.3495 12.3495 12.8472 12.8472 14.5872 14.5872 17.1855 17.1855 k = 0.5000-0.2842-0.0064 ( 2212 PWs) bands (ev): -8.3904 -8.3904 -7.9534 -7.9534 1.3269 1.3269 1.7785 1.7785 1.8146 1.8146 2.1458 2.1458 2.4754 2.4754 2.5618 2.5618 2.9024 2.9024 3.1002 3.1002 3.3360 3.3360 4.0739 4.0739 4.9663 4.9663 6.2966 6.2966 6.9434 6.9434 7.1925 7.1925 7.4750 7.4750 8.2176 8.2176 12.3573 12.3573 12.8357 12.8357 14.5856 14.5856 17.1967 17.1967 k = 0.5000-0.2842 0.2858 ( 2206 PWs) bands (ev): -8.4024 -8.4024 -7.9329 -7.9329 0.8946 0.8946 1.5467 1.5467 1.7664 1.7664 2.0815 2.0815 2.5549 2.5549 2.8493 2.8493 3.1213 3.1213 3.4927 3.4927 3.8973 3.8973 4.1710 4.1710 4.9573 4.9573 5.9459 5.9459 6.0035 6.0035 6.8225 6.8225 7.7648 7.7648 8.8142 8.8142 11.8260 11.8260 12.8485 12.8485 15.6662 15.6662 15.8649 15.8649 k = 0.4915-0.2794 0.2809 ( 2209 PWs) bands (ev): -8.4022 -8.4022 -7.9335 -7.9335 0.8955 0.8955 1.5472 1.5472 1.7668 1.7668 2.0815 2.0815 2.5545 2.5545 2.8486 2.8486 3.1205 3.1205 3.4919 3.4919 3.8961 3.8961 4.1703 4.1703 4.9587 4.9587 5.9223 5.9223 6.0266 6.0266 6.8239 6.8239 7.7644 7.7644 8.8134 8.8134 11.8253 11.8253 12.8546 12.8546 15.6427 15.6427 15.8891 15.8891 k = 0.4831-0.2746 0.2761 ( 2206 PWs) bands (ev): -8.4018 -8.4018 -7.9351 -7.9351 0.8982 0.8982 1.5488 1.5488 1.7680 1.7680 2.0817 2.0817 2.5533 2.5533 2.8468 2.8468 3.1183 3.1183 3.4896 3.4896 3.8926 3.8926 4.1680 4.1680 4.9626 4.9626 5.8823 5.8823 6.0652 6.0652 6.8283 6.8283 7.7633 7.7633 8.8111 8.8111 11.8230 11.8230 12.8729 12.8729 15.5904 15.5904 15.9436 15.9436 k = 0.4746-0.2698 0.2712 ( 2205 PWs) bands (ev): -8.4010 -8.4010 -7.9379 -7.9379 0.9026 0.9026 1.5514 1.5514 1.7700 1.7700 2.0820 2.0820 2.5513 2.5513 2.8437 2.8437 3.1147 3.1147 3.4859 3.4859 3.8866 3.8866 4.1643 4.1643 4.9690 4.9690 5.8397 5.8397 6.1053 6.1053 6.8356 6.8356 7.7616 7.7616 8.8073 8.8073 11.8196 11.8196 12.9028 12.9028 15.5284 15.5284 16.0095 16.0095 k = 0.4661-0.2650 0.2664 ( 2205 PWs) bands (ev): -8.4000 -8.4000 -7.9416 -7.9416 0.9088 0.9088 1.5550 1.5550 1.7728 1.7728 2.0824 2.0824 2.5484 2.5484 2.8394 2.8394 3.1097 3.1097 3.4807 3.4807 3.8783 3.8783 4.1593 4.1593 4.9776 4.9776 5.7966 5.7966 6.1452 6.1452 6.8456 6.8456 7.7595 7.7595 8.8019 8.8019 11.8155 11.8155 12.9435 12.9435 15.4630 15.4630 16.0803 16.0803 k = 0.4576-0.2601 0.2615 ( 2205 PWs) bands (ev): -8.3988 -8.3988 -7.9465 -7.9465 0.9167 0.9167 1.5596 1.5596 1.7763 1.7763 2.0829 2.0829 2.5447 2.5447 2.8339 2.8339 3.1033 3.1033 3.4741 3.4741 3.8678 3.8678 4.1532 4.1532 4.9879 4.9879 5.7536 5.7536 6.1844 6.1844 6.8583 6.8583 7.7571 7.7571 8.7950 8.7950 11.8112 11.8112 12.9942 12.9942 15.3967 15.3967 16.1541 16.1541 k = 0.4492-0.2553 0.2567 ( 2203 PWs) bands (ev): -8.3973 -8.3973 -7.9522 -7.9522 0.9263 0.9263 1.5652 1.5652 1.7806 1.7806 2.0835 2.0835 2.5402 2.5402 2.8272 2.8272 3.0958 3.0958 3.4663 3.4663 3.8551 3.8551 4.1460 4.1460 4.9996 4.9996 5.7111 5.7111 6.2225 6.2225 6.8735 6.8735 7.7548 7.7548 8.7867 8.7867 11.8070 11.8070 13.0537 13.0537 15.3306 15.3306 16.2301 16.2301 k = 0.4407-0.2505 0.2518 ( 2201 PWs) bands (ev): -8.3956 -8.3956 -7.9589 -7.9589 0.9373 0.9373 1.5717 1.5717 1.7855 1.7855 2.0843 2.0843 2.5348 2.5348 2.8194 2.8194 3.0872 3.0872 3.4573 3.4573 3.8404 3.8404 4.1380 4.1380 5.0121 5.0121 5.6696 5.6696 6.2596 6.2596 6.8912 6.8912 7.7529 7.7529 8.7768 8.7768 11.8035 11.8035 13.1210 13.1210 15.2653 15.2653 16.3080 16.3080 k = 0.4322-0.2457 0.2470 ( 2203 PWs) bands (ev): -8.3938 -8.3938 -7.9665 -7.9665 0.9498 0.9498 1.5790 1.5790 1.7910 1.7910 2.0852 2.0852 2.5285 2.5285 2.8104 2.8104 3.0775 3.0775 3.4472 3.4472 3.8237 3.8237 4.1294 4.1294 5.0248 5.0248 5.6292 5.6292 6.2956 6.2956 6.9113 6.9113 7.7515 7.7515 8.7656 8.7656 11.8009 11.8009 13.1948 13.1948 15.2016 15.2016 16.3875 16.3875 k = 0.4237-0.2409 0.2422 ( 2205 PWs) bands (ev): -8.3918 -8.3918 -7.9749 -7.9749 0.9636 0.9636 1.5872 1.5872 1.7971 1.7971 2.0864 2.0864 2.5212 2.5212 2.8004 2.8004 3.0670 3.0670 3.4361 3.4361 3.8053 3.8053 4.1202 4.1202 5.0372 5.0372 5.5903 5.5903 6.3304 6.3304 6.9337 6.9337 7.7509 7.7509 8.7529 8.7529 11.7993 11.7993 13.2737 13.2737 15.1403 15.1403 16.4687 16.4687 k = 0.4153-0.2360 0.2373 ( 2204 PWs) bands (ev): -8.3898 -8.3898 -7.9839 -7.9839 0.9787 0.9787 1.5961 1.5961 1.8036 1.8036 2.0877 2.0877 2.5131 2.5131 2.7893 2.7893 3.0558 3.0558 3.4243 3.4243 3.7853 3.7853 4.1106 4.1106 5.0488 5.0488 5.5532 5.5532 6.3644 6.3644 6.9585 6.9585 7.7513 7.7513 8.7389 8.7389 11.7989 11.7989 13.3565 13.3565 15.0822 15.0822 16.5515 16.5515 k = 0.4068-0.2312 0.2325 ( 2200 PWs) bands (ev): -8.3878 -8.3878 -7.9935 -7.9935 0.9949 0.9949 1.6057 1.6057 1.8106 1.8106 2.0895 2.0895 2.5042 2.5042 2.7773 2.7773 3.0439 3.0439 3.4119 3.4119 3.7639 3.7639 4.1007 4.1007 5.0589 5.0589 5.5182 5.5182 6.3975 6.3975 6.9856 6.9856 7.7527 7.7527 8.7236 8.7236 11.7996 11.7996 13.4412 13.4412 15.0286 15.0286 16.6358 16.6358 k = 0.3983-0.2264 0.2276 ( 2201 PWs) bands (ev): -8.3858 -8.3858 -8.0036 -8.0036 1.0120 1.0120 1.6158 1.6158 1.8177 1.8177 2.0915 2.0915 2.4943 2.4943 2.7643 2.7643 3.0316 3.0316 3.3989 3.3989 3.7412 3.7412 4.0907 4.0907 5.0670 5.0670 5.4855 5.4855 6.4301 6.4301 7.0150 7.0150 7.7553 7.7553 8.7070 8.7070 11.8013 11.8013 13.5260 13.5260 14.9813 14.9813 16.7215 16.7215 k = 0.3898-0.2216 0.2228 ( 2203 PWs) bands (ev): -8.3841 -8.3841 -8.0140 -8.0140 1.0299 1.0299 1.6264 1.6264 1.8250 1.8250 2.0939 2.0939 2.4835 2.4835 2.7505 2.7505 3.0188 3.0188 3.3854 3.3854 3.7176 3.7176 4.0806 4.0806 5.0725 5.0725 5.4553 5.4553 6.4623 6.4623 7.0467 7.0467 7.7589 7.7589 8.6891 8.6891 11.8037 11.8037 13.6081 13.6081 14.9424 14.9424 16.8084 16.8084 k = 0.3814-0.2168 0.2179 ( 2202 PWs) bands (ev): -8.3827 -8.3827 -8.0246 -8.0246 1.0485 1.0485 1.6375 1.6375 1.8321 1.8321 2.0968 2.0968 2.4721 2.4721 2.7359 2.7359 3.0058 3.0058 3.3717 3.3717 3.6932 3.6932 4.0704 4.0704 5.0750 5.0750 5.4280 5.4280 6.4946 6.4946 7.0806 7.0806 7.7635 7.7635 8.6701 8.6701 11.8065 11.8065 13.6847 13.6847 14.9147 14.9147 16.8960 16.8960 k = 0.3729-0.2120 0.2131 ( 2201 PWs) bands (ev): -8.3818 -8.3818 -8.0352 -8.0352 1.0675 1.0675 1.6489 1.6489 1.8389 1.8389 2.1002 2.1002 2.4599 2.4599 2.7204 2.7204 2.9927 2.9927 3.3579 3.3579 3.6683 3.6683 4.0603 4.0603 5.0741 5.0741 5.4037 5.4037 6.5274 6.5274 7.1166 7.1166 7.7690 7.7690 8.6500 8.6500 11.8093 11.8093 13.7521 13.7521 14.9016 14.9016 16.9839 16.9839 k = 0.3644-0.2071 0.2083 ( 2202 PWs) bands (ev): -8.3814 -8.3814 -8.0455 -8.0455 1.0868 1.0868 1.6604 1.6604 1.8452 1.8452 2.1042 2.1042 2.4473 2.4473 2.7043 2.7043 2.9795 2.9795 3.3439 3.3439 3.6431 3.6431 4.0503 4.0503 5.0697 5.0697 5.3826 5.3826 6.5608 6.5608 7.1546 7.1546 7.7752 7.7752 8.6289 8.6289 11.8117 11.8117 13.8066 13.8066 14.9066 14.9066 17.0712 17.0712 k = 0.3559-0.2023 0.2034 ( 2208 PWs) bands (ev): -8.3818 -8.3818 -8.0555 -8.0555 1.1061 1.1061 1.6721 1.6721 1.8507 1.8507 2.1087 2.1087 2.4343 2.4343 2.6875 2.6875 2.9663 2.9663 3.3300 3.3300 3.6180 3.6180 4.0404 4.0404 5.0617 5.0617 5.3649 5.3649 6.5952 6.5952 7.1943 7.1943 7.7821 7.7821 8.6068 8.6068 11.8132 11.8132 13.8455 13.8455 14.9323 14.9323 17.1565 17.1565 k = 0.3475-0.1975 0.1986 ( 2209 PWs) bands (ev): -8.3831 -8.3831 -8.0648 -8.0648 1.1254 1.1254 1.6837 1.6837 1.8554 1.8554 2.1136 2.1136 2.4214 2.4214 2.6700 2.6700 2.9532 2.9532 3.3161 3.3161 3.5933 3.5933 4.0307 4.0307 5.0503 5.0503 5.3504 5.3504 6.6308 6.6308 7.2356 7.2356 7.7894 7.7894 8.5839 8.5839 11.8132 11.8132 13.8679 13.8679 14.9796 14.9796 17.2378 17.2378 k = 0.3390-0.1927 0.1937 ( 2206 PWs) bands (ev): -8.3856 -8.3856 -8.0732 -8.0732 1.1444 1.1444 1.6952 1.6952 1.8590 1.8590 2.1188 2.1188 2.4087 2.4087 2.6521 2.6521 2.9404 2.9404 3.3024 3.3024 3.5693 3.5693 4.0213 4.0213 5.0357 5.0357 5.3392 5.3392 6.6678 6.6678 7.2782 7.2782 7.7970 7.7970 8.5602 8.5602 11.8111 11.8111 13.8750 13.8750 15.0469 15.0469 17.3122 17.3122 k = 0.3305-0.1879 0.1889 ( 2203 PWs) bands (ev): -8.3893 -8.3893 -8.0805 -8.0805 1.1629 1.1629 1.7065 1.7065 1.8616 1.8616 2.1237 2.1237 2.3968 2.3968 2.6338 2.6338 2.9280 2.9280 3.2888 3.2888 3.5462 3.5462 4.0120 4.0120 5.0185 5.0185 5.3309 5.3309 6.7062 6.7062 7.3218 7.3218 7.8050 7.8050 8.5358 8.5358 11.8062 11.8062 13.8699 13.8699 15.1312 15.1312 17.3752 17.3752 k = 0.3220-0.1831 0.1840 ( 2202 PWs) bands (ev): -8.3945 -8.3945 -8.0866 -8.0866 1.1806 1.1806 1.7173 1.7173 1.8631 1.8631 2.1279 2.1279 2.3860 2.3860 2.6152 2.6152 2.9159 2.9159 3.2753 3.2753 3.5245 3.5245 4.0030 4.0030 4.9991 4.9991 5.3256 5.3256 6.7460 6.7460 7.3661 7.3661 7.8132 7.8132 8.5109 8.5109 11.7978 11.7978 13.8560 13.8560 15.2286 15.2286 17.4210 17.4210 k = 0.3136-0.1782 0.1792 ( 2203 PWs) bands (ev): -8.4012 -8.4012 -8.0912 -8.0912 1.1973 1.1973 1.7275 1.7275 1.8637 1.8637 2.1308 2.1308 2.3768 2.3768 2.5966 2.5966 2.9042 2.9042 3.2619 3.2619 3.5043 3.5043 3.9942 3.9942 4.9779 4.9779 5.3231 5.3231 6.7870 6.7870 7.4107 7.4107 7.8216 7.8216 8.4856 8.4856 11.7854 11.7854 13.8367 13.8367 15.3352 15.3352 17.4437 17.4437 k = 0.3051-0.1734 0.1744 ( 2204 PWs) bands (ev): -8.4095 -8.4095 -8.0943 -8.0943 1.2128 1.2128 1.7370 1.7370 1.8635 1.8635 2.1318 2.1318 2.3695 2.3695 2.5784 2.5784 2.8930 2.8930 3.2485 3.2485 3.4861 3.4861 3.9857 3.9857 4.9556 4.9556 5.3234 5.3234 6.8291 6.8291 7.4552 7.4552 7.8304 7.8304 8.4601 8.4601 11.7683 11.7683 13.8149 13.8149 15.4474 15.4474 17.4402 17.4402 k = 0.2966-0.1686 0.1695 ( 2205 PWs) bands (ev): -8.4193 -8.4193 -8.0960 -8.0960 1.2268 1.2268 1.7453 1.7453 1.8628 1.8628 2.1302 2.1302 2.3640 2.3640 2.5611 2.5611 2.8825 2.8825 3.2350 3.2350 3.4698 3.4698 3.9775 3.9775 4.9325 4.9325 5.3263 5.3263 6.8719 6.8719 7.4994 7.4994 7.8396 7.8396 8.4346 8.4346 11.7460 11.7460 13.7925 13.7925 15.5618 15.5618 17.4129 17.4129 k = 0.2881-0.1638 0.1647 ( 2210 PWs) bands (ev): -8.4306 -8.4306 -8.0961 -8.0961 1.2391 1.2391 1.7524 1.7524 1.8620 1.8620 2.1260 2.1260 2.3599 2.3599 2.5455 2.5455 2.8726 2.8726 3.2216 3.2216 3.4558 3.4558 3.9695 3.9695 4.9091 4.9091 5.3321 5.3321 6.9151 6.9151 7.5426 7.5426 7.8495 7.8495 8.4094 8.4094 11.7181 11.7181 13.7713 13.7713 15.6747 15.6747 17.3692 17.3692 k = 0.2797-0.1590 0.1598 ( 2212 PWs) bands (ev): -8.4433 -8.4433 -8.0948 -8.0948 1.2493 1.2493 1.7578 1.7578 1.8615 1.8615 2.1191 2.1191 2.3558 2.3558 2.5329 2.5329 2.8634 2.8634 3.2082 3.2082 3.4441 3.4441 3.9618 3.9618 4.8858 4.8858 5.3406 5.3406 6.9584 6.9584 7.5846 7.5846 7.8602 7.8602 8.3849 8.3849 11.6842 11.6842 13.7521 13.7521 15.7821 15.7821 17.3188 17.3188 k = 0.2712-0.1542 0.1550 ( 2209 PWs) bands (ev): -8.4571 -8.4571 -8.0922 -8.0922 1.2574 1.2574 1.7615 1.7615 1.8618 1.8618 2.1100 2.1100 2.3505 2.3505 2.5243 2.5243 2.8550 2.8550 3.1948 3.1948 3.4346 3.4346 3.9543 3.9543 4.8628 4.8628 5.3521 5.3521 7.0012 7.0012 7.6248 7.6248 7.8718 7.8718 8.3615 8.3615 11.6443 11.6443 13.7357 13.7357 15.8788 15.8788 17.2719 17.2719 k = 0.2627-0.1493 0.1501 ( 2206 PWs) bands (ev): -8.4720 -8.4720 -8.0885 -8.0885 1.2630 1.2630 1.7631 1.7631 1.8630 1.8630 2.0992 2.0992 2.3424 2.3424 2.5208 2.5208 2.8475 2.8475 3.1816 3.1816 3.4274 3.4274 3.9471 3.9471 4.8406 4.8406 5.3665 5.3665 7.0431 7.0431 7.6628 7.6628 7.8844 7.8844 8.3399 8.3399 11.5984 11.5984 13.7224 13.7224 15.9587 15.9587 17.2381 17.2381 k = 0.2542-0.1445 0.1453 ( 2203 PWs) bands (ev): -8.4877 -8.4877 -8.0838 -8.0838 1.2659 1.2659 1.7629 1.7629 1.8652 1.8652 2.0872 2.0872 2.3308 2.3308 2.5225 2.5225 2.8407 2.8407 3.1687 3.1687 3.4222 3.4222 3.9401 3.9401 4.8193 4.8193 5.3839 5.3839 7.0835 7.0835 7.6986 7.6986 7.8975 7.8975 8.3208 8.3208 11.5464 11.5464 13.7122 13.7122 16.0150 16.0150 17.2266 17.2266 k = 0.2458-0.1397 0.1405 ( 2202 PWs) bands (ev): -8.5041 -8.5041 -8.0782 -8.0782 1.2660 1.2660 1.7610 1.7610 1.8682 1.8682 2.0744 2.0744 2.3160 2.3160 2.5287 2.5287 2.8348 2.8348 3.1561 3.1561 3.4188 3.4188 3.9334 3.9334 4.7991 4.7991 5.4045 5.4045 7.1218 7.1218 7.7321 7.7321 7.9104 7.9104 8.3054 8.3054 11.4889 11.4889 13.7048 13.7048 16.0426 16.0426 17.2441 17.2441 k = 0.2373-0.1349 0.1356 ( 2197 PWs) bands (ev): -8.5210 -8.5210 -8.0718 -8.0718 1.2633 1.2633 1.7577 1.7577 1.8718 1.8718 2.0614 2.0614 2.2989 2.2989 2.5385 2.5385 2.8297 2.8297 3.1441 3.1441 3.4170 3.4170 3.9269 3.9269 4.7803 4.7803 5.4281 5.4281 7.1575 7.1575 7.7636 7.7636 7.9218 7.9218 8.2949 8.2949 11.4261 11.4261 13.6998 13.6998 16.0408 16.0408 17.2927 17.2927 k = 0.2288-0.1301 0.1308 ( 2196 PWs) bands (ev): -8.5382 -8.5382 -8.0649 -8.0649 1.2576 1.2576 1.7535 1.7535 1.8755 1.8755 2.0485 2.0485 2.2801 2.2801 2.5506 2.5506 2.8254 2.8254 3.1327 3.1327 3.4167 3.4167 3.9207 3.9207 4.7630 4.7630 5.4549 5.4549 7.1900 7.1900 7.7938 7.7938 7.9302 7.9302 8.2907 8.2907 11.3584 11.3584 13.6968 13.6968 16.0132 16.0132 17.3692 17.3692 k = 0.2203-0.1252 0.1259 ( 2200 PWs) bands (ev): -8.5557 -8.5557 -8.0575 -8.0575 1.2490 1.2490 1.7484 1.7484 1.8790 1.8790 2.0360 2.0360 2.2606 2.2606 2.5642 2.5642 2.8218 2.8218 3.1221 3.1221 3.4175 3.4175 3.9148 3.9148 4.7473 4.7473 5.4848 5.4848 7.2188 7.2188 7.8232 7.8232 7.9344 7.9344 8.2937 8.2937 11.2865 11.2865 13.6950 13.6950 15.9665 15.9665 17.4678 17.4678 k = 0.2119-0.1204 0.1211 ( 2198 PWs) bands (ev): -8.5733 -8.5733 -8.0497 -8.0497 1.2378 1.2378 1.7428 1.7428 1.8822 1.8822 2.0243 2.0243 2.2410 2.2410 2.5786 2.5786 2.8190 2.8190 3.1125 3.1125 3.4193 3.4193 3.9091 3.9091 4.7333 4.7333 5.5179 5.5179 7.2438 7.2438 7.8514 7.8514 7.9345 7.9345 8.3042 8.3042 11.2108 11.2108 13.6938 13.6938 15.9070 15.9070 17.5826 17.5826 k = 0.2034-0.1156 0.1162 ( 2198 PWs) bands (ev): -8.5909 -8.5909 -8.0415 -8.0415 1.2240 1.2240 1.7366 1.7366 1.8845 1.8845 2.0135 2.0135 2.2218 2.2218 2.5931 2.5931 2.8170 2.8170 3.1037 3.1037 3.4219 3.4219 3.9038 3.9038 4.7209 4.7209 5.5541 5.5541 7.2646 7.2646 7.8755 7.8755 7.9342 7.9342 8.3215 8.3215 11.1320 11.1320 13.6925 13.6925 15.8401 15.8401 17.7085 17.7085 k = 0.1949-0.1108 0.1114 ( 2197 PWs) bands (ev): -8.6083 -8.6083 -8.0332 -8.0332 1.2080 1.2080 1.7298 1.7298 1.8857 1.8857 2.0040 2.0040 2.2034 2.2034 2.6075 2.6075 2.8155 2.8155 3.0960 3.0960 3.4251 3.4251 3.8988 3.8988 4.7102 4.7102 5.5933 5.5933 7.2814 7.2814 7.8853 7.8853 7.9448 7.9448 8.3442 8.3442 11.0506 11.0506 13.6903 13.6903 15.7699 15.7699 17.8420 17.8420 k = 0.1864-0.1060 0.1066 ( 2197 PWs) bands (ev): -8.6256 -8.6256 -8.0247 -8.0247 1.1900 1.1900 1.7225 1.7225 1.8856 1.8856 1.9958 1.9958 2.1860 2.1860 2.6214 2.6214 2.8147 2.8147 3.0894 3.0894 3.4287 3.4287 3.8942 3.8942 4.7012 4.7012 5.6354 5.6354 7.2945 7.2945 7.8773 7.8773 7.9707 7.9707 8.3710 8.3710 10.9671 10.9671 13.6867 13.6867 15.6991 15.6991 17.9805 17.9805 k = 0.1780-0.1012 0.1017 ( 2199 PWs) bands (ev): -8.6425 -8.6425 -8.0161 -8.0161 1.1705 1.1705 1.7147 1.7147 1.8839 1.8839 1.9893 1.9893 2.1699 2.1699 2.6346 2.6346 2.8144 2.8144 3.0840 3.0840 3.4326 3.4326 3.8900 3.8900 4.6937 4.6937 5.6803 5.6803 7.3042 7.3042 7.8613 7.8613 8.0032 8.0032 8.4005 8.4005 10.8822 10.8822 13.6809 13.6809 15.6300 15.6300 18.1219 18.1219 k = 0.1695-0.0963 0.0969 ( 2197 PWs) bands (ev): -8.6591 -8.6591 -8.0076 -8.0076 1.1496 1.1496 1.7063 1.7063 1.8805 1.8805 1.9843 1.9843 2.1553 2.1553 2.6470 2.6470 2.8146 2.8146 3.0797 3.0797 3.4368 3.4368 3.8862 3.8862 4.6877 4.6877 5.7277 5.7277 7.3110 7.3110 7.8418 7.8418 8.0380 8.0380 8.4316 8.4316 10.7963 10.7963 13.6724 13.6724 15.5640 15.5640 18.2651 18.2651 k = 0.1610-0.0915 0.0920 ( 2196 PWs) bands (ev): -8.6753 -8.6753 -7.9990 -7.9990 1.1278 1.1278 1.6974 1.6974 1.8755 1.8755 1.9808 1.9808 2.1423 2.1423 2.6583 2.6583 2.8151 2.8151 3.0765 3.0765 3.4410 3.4410 3.8829 3.8829 4.6830 4.6830 5.7775 5.7775 7.3153 7.3153 7.8207 7.8207 8.0735 8.0735 8.4636 8.4636 10.7101 10.7101 13.6607 13.6607 15.5023 15.5023 18.4088 18.4088 k = 0.1525-0.0867 0.0872 ( 2192 PWs) bands (ev): -8.6909 -8.6909 -7.9906 -7.9906 1.1054 1.1054 1.6880 1.6880 1.8692 1.8692 1.9786 1.9786 2.1309 2.1309 2.6686 2.6686 2.8160 2.8160 3.0745 3.0745 3.4453 3.4453 3.8801 3.8801 4.6796 4.6796 5.8293 5.8293 7.3179 7.3179 7.7988 7.7988 8.1088 8.1088 8.4959 8.4959 10.6241 10.6241 13.6457 13.6457 15.4457 15.4457 18.5521 18.5521 k = 0.1441-0.0819 0.0823 ( 2188 PWs) bands (ev): -8.7060 -8.7060 -7.9824 -7.9824 1.0826 1.0826 1.6782 1.6782 1.8618 1.8618 1.9772 1.9772 2.1212 2.1212 2.6778 2.6778 2.8172 2.8172 3.0735 3.0735 3.4495 3.4495 3.8777 3.8777 4.6774 4.6774 5.8828 5.8828 7.3192 7.3192 7.7767 7.7767 8.1429 8.1429 8.5280 8.5280 10.5390 10.5390 13.6270 13.6270 15.3947 15.3947 18.6944 18.6944 k = 0.1356-0.0771 0.0775 ( 2185 PWs) bands (ev): -8.7205 -8.7205 -7.9743 -7.9743 1.0598 1.0598 1.6682 1.6682 1.8537 1.8537 1.9763 1.9763 2.1130 2.1130 2.6859 2.6859 2.8186 2.8186 3.0734 3.0734 3.4537 3.4537 3.8757 3.8757 4.6761 4.6761 5.9377 5.9377 7.3197 7.3197 7.7548 7.7548 8.1751 8.1751 8.5597 8.5597 10.4552 10.4552 13.6049 13.6049 15.3495 15.3495 18.8348 18.8348 k = 0.1271-0.0723 0.0726 ( 2187 PWs) bands (ev): -8.7343 -8.7343 -7.9665 -7.9665 1.0371 1.0371 1.6579 1.6579 1.8452 1.8452 1.9757 1.9757 2.1062 2.1062 2.6929 2.6929 2.8200 2.8200 3.0742 3.0742 3.4578 3.4578 3.8742 3.8742 4.6756 4.6756 5.9934 5.9934 7.3201 7.3201 7.7333 7.7333 8.2046 8.2046 8.5907 8.5907 10.3733 10.3733 13.5794 13.5794 15.3101 15.3101 18.9727 18.9727 k = 0.1186-0.0674 0.0678 ( 2187 PWs) bands (ev): -8.7475 -8.7475 -7.9590 -7.9590 1.0149 1.0149 1.6477 1.6477 1.8365 1.8365 1.9752 1.9752 2.1007 2.1007 2.6990 2.6990 2.8215 2.8215 3.0758 3.0758 3.4618 3.4618 3.8732 3.8732 4.6759 4.6759 6.0495 6.0495 7.3207 7.3207 7.7125 7.7125 8.2308 8.2308 8.6211 8.6211 10.2941 10.2941 13.5511 13.5511 15.2765 15.2765 19.1074 19.1074 k = 0.1102-0.0626 0.0630 ( 2179 PWs) bands (ev): -8.7599 -8.7599 -7.9519 -7.9519 0.9934 0.9934 1.6375 1.6375 1.8279 1.8279 1.9748 1.9748 2.0965 2.0965 2.7042 2.7042 2.8232 2.8232 3.0780 3.0780 3.4657 3.4657 3.8725 3.8725 4.6767 4.6767 6.1054 6.1054 7.3221 7.3221 7.6925 7.6925 8.2528 8.2528 8.6506 8.6506 10.2182 10.2182 13.5204 13.5204 15.2482 15.2482 19.2381 19.2381 k = 0.1017-0.0578 0.0581 ( 2177 PWs) bands (ev): -8.7715 -8.7715 -7.9451 -7.9451 0.9727 0.9727 1.6275 1.6275 1.8195 1.8195 1.9743 1.9743 2.0932 2.0932 2.7085 2.7085 2.8248 2.8248 3.0806 3.0806 3.4695 3.4695 3.8721 3.8721 4.6780 4.6780 6.1604 6.1604 7.3248 7.3248 7.6737 7.6737 8.2702 8.2702 8.6791 8.6791 10.1460 10.1460 13.4879 13.4879 15.2248 15.2248 19.3641 19.3641 k = 0.0932-0.0530 0.0533 ( 2181 PWs) bands (ev): -8.7823 -8.7823 -7.9387 -7.9387 0.9531 0.9531 1.6178 1.6178 1.8115 1.8115 1.9736 1.9736 2.0907 2.0907 2.7120 2.7120 2.8263 2.8263 3.0835 3.0835 3.4731 3.4731 3.8721 3.8721 4.6797 4.6797 6.2140 6.2140 7.3292 7.3292 7.6560 7.6560 8.2823 8.2823 8.7067 8.7067 10.0783 10.0783 13.4545 13.4545 15.2058 15.2058 19.4846 19.4846 k = 0.0847-0.0482 0.0484 ( 2182 PWs) bands (ev): -8.7923 -8.7923 -7.9328 -7.9328 0.9346 0.9346 1.6086 1.6086 1.8039 1.8039 1.9728 1.9728 2.0889 2.0889 2.7149 2.7149 2.8278 2.8278 3.0866 3.0866 3.4765 3.4765 3.8723 3.8723 4.6816 4.6816 6.2654 6.2654 7.3357 7.3357 7.6396 7.6396 8.2889 8.2889 8.7331 8.7331 10.0157 10.0157 13.4208 13.4208 15.1907 15.1907 19.5987 19.5987 k = 0.0763-0.0434 0.0436 ( 2183 PWs) bands (ev): -8.8014 -8.8014 -7.9273 -7.9273 0.9175 0.9175 1.6000 1.6000 1.7969 1.7969 1.9720 1.9720 2.0877 2.0877 2.7172 2.7172 2.8293 2.8293 3.0897 3.0897 3.4797 3.4797 3.8727 3.8727 4.6837 4.6837 6.3138 6.3138 7.3445 7.3445 7.6246 7.6246 8.2900 8.2900 8.7581 8.7581 9.9586 9.9586 13.3877 13.3877 15.1788 15.1788 19.7053 19.7053 k = 0.0678-0.0385 0.0387 ( 2188 PWs) bands (ev): -8.8096 -8.8096 -7.9224 -7.9224 0.9019 0.9019 1.5919 1.5919 1.7905 1.7905 1.9711 1.9711 2.0869 2.0869 2.7190 2.7190 2.8306 2.8306 3.0928 3.0928 3.4826 3.4826 3.8733 3.8733 4.6857 4.6857 6.3586 6.3586 7.3558 7.3558 7.6112 7.6112 8.2856 8.2856 8.7815 8.7815 9.9074 9.9074 13.3559 13.3559 15.1696 15.1696 19.8036 19.8036 k = 0.0593-0.0337 0.0339 ( 2189 PWs) bands (ev): -8.8169 -8.8169 -7.9179 -7.9179 0.8878 0.8878 1.5846 1.5846 1.7848 1.7848 1.9702 1.9702 2.0864 2.0864 2.7204 2.7204 2.8317 2.8317 3.0958 3.0958 3.4853 3.4853 3.8739 3.8739 4.6878 4.6878 6.3992 6.3992 7.3694 7.3694 7.5994 7.5994 8.2765 8.2765 8.8031 8.8031 9.8624 9.8624 13.3260 13.3260 15.1628 15.1628 19.8925 19.8925 k = 0.0508-0.0289 0.0291 ( 2191 PWs) bands (ev): -8.8232 -8.8232 -7.9140 -7.9140 0.8754 0.8754 1.5782 1.5782 1.7797 1.7797 1.9694 1.9694 2.0861 2.0861 2.7215 2.7215 2.8328 2.8328 3.0985 3.0985 3.4878 3.4878 3.8746 3.8746 4.6897 4.6897 6.4348 6.4348 7.3848 7.3848 7.5894 7.5894 8.2634 8.2634 8.8226 8.8226 9.8237 9.8237 13.2988 13.2988 15.1577 15.1577 19.9710 19.9710 k = 0.0424-0.0241 0.0242 ( 2193 PWs) bands (ev): -8.8286 -8.8286 -7.9107 -7.9107 0.8648 0.8648 1.5726 1.5726 1.7754 1.7754 1.9686 1.9686 2.0860 2.0860 2.7222 2.7222 2.8337 2.8337 3.1009 3.1009 3.4899 3.4899 3.8752 3.8752 4.6915 4.6915 6.4653 6.4653 7.4014 7.4014 7.5812 7.5812 8.2476 8.2476 8.8396 8.8396 9.7913 9.7913 13.2748 13.2748 15.1540 15.1540 20.0385 20.0385 k = 0.0339-0.0193 0.0194 ( 2193 PWs) bands (ev): -8.8331 -8.8331 -7.9080 -7.9080 0.8560 0.8560 1.5680 1.5680 1.7719 1.7719 1.9680 1.9680 2.0860 2.0860 2.7229 2.7229 2.8345 2.8345 3.1029 3.1029 3.4917 3.4917 3.8758 3.8758 4.6930 4.6930 6.4903 6.4903 7.4178 7.4178 7.5749 7.5749 8.2306 8.2306 8.8539 8.8539 9.7653 9.7653 13.2544 13.2544 15.1515 15.1515 20.0941 20.0941 k = 0.0254-0.0145 0.0145 ( 2192 PWs) bands (ev): -8.8365 -8.8365 -7.9058 -7.9058 0.8492 0.8492 1.5643 1.5643 1.7691 1.7691 1.9674 1.9674 2.0860 2.0860 2.7233 2.7233 2.8351 2.8351 3.1045 3.1045 3.4931 3.4931 3.8763 3.8763 4.6943 4.6943 6.5097 6.5097 7.4328 7.4328 7.5705 7.5705 8.2144 8.2144 8.8654 8.8654 9.7453 9.7453 13.2381 13.2381 15.1498 15.1498 20.1376 20.1376 k = 0.0169-0.0096 0.0097 ( 2190 PWs) bands (ev): -8.8390 -8.8390 -7.9043 -7.9043 0.8442 0.8442 1.5617 1.5617 1.7672 1.7672 1.9670 1.9670 2.0860 2.0860 2.7236 2.7236 2.8355 2.8355 3.1057 3.1057 3.4942 3.4942 3.8767 3.8767 4.6952 4.6952 6.5235 6.5235 7.4446 7.4446 7.5680 7.5680 8.2009 8.2009 8.8737 8.8737 9.7311 9.7311 13.2263 13.2263 15.1487 15.1487 20.1688 20.1688 k = 0.0085-0.0048 0.0048 ( 2193 PWs) bands (ev): -8.8405 -8.8405 -7.9033 -7.9033 0.8412 0.8412 1.5601 1.5601 1.7660 1.7660 1.9668 1.9668 2.0860 2.0860 2.7238 2.7238 2.8358 2.8358 3.1064 3.1064 3.4948 3.4948 3.8770 3.8770 4.6957 4.6957 6.5317 6.5317 7.4522 7.4522 7.5668 7.5668 8.1919 8.1919 8.8787 8.8787 9.7227 9.7227 13.2191 13.2191 15.1481 15.1481 20.1874 20.1874 k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): -8.8410 -8.8410 -7.9030 -7.9030 0.8403 0.8403 1.5596 1.5596 1.7656 1.7656 1.9667 1.9667 2.0861 2.0861 2.7239 2.7239 2.8359 2.8359 3.1067 3.1067 3.4950 3.4950 3.8771 3.8771 4.6959 4.6959 6.5345 6.5345 7.4548 7.4548 7.5664 7.5664 8.1887 8.1887 8.8804 8.8804 9.7200 9.7200 13.2167 13.2167 15.1480 15.1480 20.1936 20.1936 Writing output data file CdHgO2.save init_run : 0.46s CPU 1.13s WALL ( 1 calls) electrons : 171.31s CPU 175.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.36s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 171.30s CPU 175.50s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 440 calls) cegterg : 162.23s CPU 164.82s WALL ( 702 calls) Called by sum_band: Called by *egterg: h_psi : 85.78s CPU 87.62s WALL ( 11234 calls) s_psi : 6.65s CPU 6.90s WALL ( 11234 calls) g_psi : 0.20s CPU 0.23s WALL ( 10092 calls) cdiaghg : 60.88s CPU 61.46s WALL ( 10532 calls) cegterg:over : 6.17s CPU 6.30s WALL ( 10092 calls) cegterg:upda : 4.15s CPU 4.10s WALL ( 10092 calls) cegterg:last : 2.79s CPU 2.87s WALL ( 2459 calls) cdiaghg:chol : 3.46s CPU 3.36s WALL ( 10532 calls) cdiaghg:inve : 1.86s CPU 1.96s WALL ( 10532 calls) cdiaghg:para : 3.48s CPU 3.62s WALL ( 21064 calls) Called by h_psi: h_psi:vloc : 75.78s CPU 77.45s WALL ( 11234 calls) h_psi:vnl : 9.78s CPU 9.98s WALL ( 11234 calls) add_vuspsi : 5.02s CPU 5.18s WALL ( 11234 calls) General routines calbec : 4.74s CPU 4.77s WALL ( 11234 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.95s CPU 69.46s WALL ( 1325708 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.21s WALL ( 880 calls) Parallel routines fft_scatter : 28.39s CPU 29.10s WALL ( 1325731 calls) PWSCF : 3m 6.10s CPU 3m37.81s WALL This run was terminated on: 16:52: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=