Program PWSCF v.5.1.1 starts on 28Oct2015 at 13:38:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BC2N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 13 4 622 235 39 Max 26 14 5 625 254 43 Sum 1201 649 193 29937 11811 2007 bravais-lattice index = 14 lattice parameter (alat) = 6.7860 a.u. unit-cell volume = 299.6019 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.786006 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.201334 celldm(5)= 0.201334 celldm(6)= 0.003316 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.003316 0.999995 0.000000 ) a(3) = ( 0.201334 0.200668 0.958748 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.003316 -0.209303 ) b(2) = ( 0.000000 1.000005 -0.209303 ) b(3) = ( 0.000000 0.000000 1.043027 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 441 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0076788 0.0076534 -0.0030142), wk = 0.0022676 k( 3) = ( 0.0153576 0.0153067 -0.0060283), wk = 0.0022676 k( 4) = ( 0.0230363 0.0229601 -0.0090425), wk = 0.0022676 k( 5) = ( 0.0307151 0.0306134 -0.0120567), wk = 0.0022676 k( 6) = ( 0.0383939 0.0382668 -0.0150708), wk = 0.0022676 k( 7) = ( 0.0460727 0.0459202 -0.0180850), wk = 0.0022676 k( 8) = ( 0.0537515 0.0535735 -0.0210992), wk = 0.0022676 k( 9) = ( 0.0614302 0.0612269 -0.0241133), wk = 0.0022676 k( 10) = ( 0.0691090 0.0688802 -0.0271275), wk = 0.0022676 k( 11) = ( 0.0767878 0.0765336 -0.0301417), wk = 0.0022676 k( 12) = ( 0.0844666 0.0841870 -0.0331558), wk = 0.0022676 k( 13) = ( 0.0921454 0.0918403 -0.0361700), wk = 0.0022676 k( 14) = ( 0.0998242 0.0994937 -0.0391842), wk = 0.0022676 k( 15) = ( 0.1075029 0.1071470 -0.0421983), wk = 0.0022676 k( 16) = ( 0.1151817 0.1148004 -0.0452125), wk = 0.0022676 k( 17) = ( 0.1228605 0.1224538 -0.0482267), wk = 0.0022676 k( 18) = ( 0.1305393 0.1301071 -0.0512408), wk = 0.0022676 k( 19) = ( 0.1382181 0.1377605 -0.0542550), wk = 0.0022676 k( 20) = ( 0.1458968 0.1454138 -0.0572692), wk = 0.0022676 k( 21) = ( 0.1535756 0.1530672 -0.0602833), wk = 0.0022676 k( 22) = ( 0.1612544 0.1607205 -0.0632975), wk = 0.0022676 k( 23) = ( 0.1689332 0.1683739 -0.0663117), wk = 0.0022676 k( 24) = ( 0.1766120 0.1760273 -0.0693258), wk = 0.0022676 k( 25) = ( 0.1842908 0.1836806 -0.0723400), wk = 0.0022676 k( 26) = ( 0.1919695 0.1913340 -0.0753542), wk = 0.0022676 k( 27) = ( 0.1996483 0.1989873 -0.0783683), wk = 0.0022676 k( 28) = ( 0.2073271 0.2066407 -0.0813825), wk = 0.0022676 k( 29) = ( 0.2150059 0.2142941 -0.0843967), wk = 0.0022676 k( 30) = ( 0.2226847 0.2219474 -0.0874108), wk = 0.0022676 k( 31) = ( 0.2303634 0.2296008 -0.0904250), wk = 0.0022676 k( 32) = ( 0.2380422 0.2372541 -0.0934392), wk = 0.0022676 k( 33) = ( 0.2457210 0.2449075 -0.0964534), wk = 0.0022676 k( 34) = ( 0.2533998 0.2525609 -0.0994675), wk = 0.0022676 k( 35) = ( 0.2610786 0.2602142 -0.1024817), wk = 0.0022676 k( 36) = ( 0.2687573 0.2678676 -0.1054959), wk = 0.0022676 k( 37) = ( 0.2764361 0.2755209 -0.1085100), wk = 0.0022676 k( 38) = ( 0.2841149 0.2831743 -0.1115242), wk = 0.0022676 k( 39) = ( 0.2917937 0.2908277 -0.1145384), wk = 0.0022676 k( 40) = ( 0.2994725 0.2984810 -0.1175525), wk = 0.0022676 k( 41) = ( 0.3071512 0.3061344 -0.1205667), wk = 0.0022676 k( 42) = ( 0.3148300 0.3137877 -0.1235809), wk = 0.0022676 k( 43) = ( 0.3225088 0.3214411 -0.1265950), wk = 0.0022676 k( 44) = ( 0.3301876 0.3290945 -0.1296092), wk = 0.0022676 k( 45) = ( 0.3378664 0.3367478 -0.1326234), wk = 0.0022676 k( 46) = ( 0.3455452 0.3444012 -0.1356375), wk = 0.0022676 k( 47) = ( 0.3532239 0.3520545 -0.1386517), wk = 0.0022676 k( 48) = ( 0.3609027 0.3597079 -0.1416659), wk = 0.0022676 k( 49) = ( 0.3685815 0.3673612 -0.1446800), wk = 0.0022676 k( 50) = ( 0.3762603 0.3750146 -0.1476942), wk = 0.0022676 k( 51) = ( 0.3839391 0.3826680 -0.1507084), wk = 0.0022676 k( 52) = ( 0.3916178 0.3903213 -0.1537225), wk = 0.0022676 k( 53) = ( 0.3992966 0.3979747 -0.1567367), wk = 0.0022676 k( 54) = ( 0.4069754 0.4056281 -0.1597509), wk = 0.0022676 k( 55) = ( 0.4146542 0.4132814 -0.1627650), wk = 0.0022676 k( 56) = ( 0.4223330 0.4209348 -0.1657792), wk = 0.0022676 k( 57) = ( 0.4300117 0.4285881 -0.1687934), wk = 0.0022676 k( 58) = ( 0.4376905 0.4362415 -0.1718075), wk = 0.0022676 k( 59) = ( 0.4453693 0.4438949 -0.1748217), wk = 0.0022676 k( 60) = ( 0.4530481 0.4515482 -0.1778359), wk = 0.0022676 k( 61) = ( 0.4607269 0.4592016 -0.1808500), wk = 0.0022676 k( 62) = ( 0.4684057 0.4668549 -0.1838642), wk = 0.0022676 k( 63) = ( 0.4760844 0.4745083 -0.1868784), wk = 0.0022676 k( 64) = ( 0.4837632 0.4821616 -0.1898925), wk = 0.0022676 k( 65) = ( 0.4837632 0.4821616 -0.1898925), wk = 0.0022676 k( 66) = ( 0.4860097 0.4844006 -0.1791951), wk = 0.0022676 k( 67) = ( 0.4882561 0.4866396 -0.1684976), wk = 0.0022676 k( 68) = ( 0.4905025 0.4888786 -0.1578002), wk = 0.0022676 k( 69) = ( 0.4927490 0.4911176 -0.1471027), wk = 0.0022676 k( 70) = ( 0.4949954 0.4933566 -0.1364053), wk = 0.0022676 k( 71) = ( 0.4972418 0.4955956 -0.1257078), wk = 0.0022676 k( 72) = ( 0.4994883 0.4978346 -0.1150103), wk = 0.0022676 k( 73) = ( 0.5017347 0.5000736 -0.1043129), wk = 0.0022676 k( 74) = ( 0.5039811 0.5023126 -0.0936154), wk = 0.0022676 k( 75) = ( 0.5062276 0.5045516 -0.0829180), wk = 0.0022676 k( 76) = ( 0.5084740 0.5067906 -0.0722205), wk = 0.0022676 k( 77) = ( 0.5107204 0.5090296 -0.0615231), wk = 0.0022676 k( 78) = ( 0.5129669 0.5112686 -0.0508256), wk = 0.0022676 k( 79) = ( 0.5152133 0.5135076 -0.0401281), wk = 0.0022676 k( 80) = ( 0.5174598 0.5157466 -0.0294307), wk = 0.0022676 k( 81) = ( 0.5197062 0.5179856 -0.0187332), wk = 0.0022676 k( 82) = ( 0.5219526 0.5202246 -0.0080358), wk = 0.0022676 k( 83) = ( 0.5241991 0.5224636 0.0026617), wk = 0.0022676 k( 84) = ( 0.5264455 0.5247026 0.0133591), wk = 0.0022676 k( 85) = ( 0.5286919 0.5269416 0.0240566), wk = 0.0022676 k( 86) = ( 0.5309384 0.5291806 0.0347541), wk = 0.0022676 k( 87) = ( 0.5331848 0.5314196 0.0454515), wk = 0.0022676 k( 88) = ( 0.5354313 0.5336586 0.0561490), wk = 0.0022676 k( 89) = ( 0.5376777 0.5358976 0.0668464), wk = 0.0022676 k( 90) = ( 0.5399241 0.5381366 0.0775439), wk = 0.0022676 k( 91) = ( 0.5421706 0.5403756 0.0882413), wk = 0.0022676 k( 92) = ( 0.5444170 0.5426146 0.0989388), wk = 0.0022676 k( 93) = ( 0.5466634 0.5448536 0.1096363), wk = 0.0022676 k( 94) = ( 0.5489099 0.5470926 0.1203337), wk = 0.0022676 k( 95) = ( 0.5511563 0.5493316 0.1310312), wk = 0.0022676 k( 96) = ( 0.5534028 0.5515706 0.1417286), wk = 0.0022676 k( 97) = ( 0.5534028 0.5515706 0.1417286), wk = 0.0022676 k( 98) = ( 0.5502614 0.5484397 0.1517570), wk = 0.0022676 k( 99) = ( 0.5471201 0.5453088 0.1617853), wk = 0.0022676 k( 100) = ( 0.5439787 0.5421778 0.1718137), wk = 0.0022676 k( 101) = ( 0.5408374 0.5390469 0.1818420), wk = 0.0022676 k( 102) = ( 0.5376961 0.5359159 0.1918704), wk = 0.0022676 k( 103) = ( 0.5345547 0.5327850 0.2018987), wk = 0.0022676 k( 104) = ( 0.5314134 0.5296541 0.2119271), wk = 0.0022676 k( 105) = ( 0.5282720 0.5265231 0.2219554), wk = 0.0022676 k( 106) = ( 0.5251307 0.5233922 0.2319838), wk = 0.0022676 k( 107) = ( 0.5219894 0.5202613 0.2420121), wk = 0.0022676 k( 108) = ( 0.5188480 0.5171303 0.2520404), wk = 0.0022676 k( 109) = ( 0.5157067 0.5139994 0.2620688), wk = 0.0022676 k( 110) = ( 0.5125654 0.5108684 0.2720971), wk = 0.0022676 k( 111) = ( 0.5094240 0.5077375 0.2821255), wk = 0.0022676 k( 112) = ( 0.5062827 0.5046066 0.2921538), wk = 0.0022676 k( 113) = ( 0.5031413 0.5014756 0.3021822), wk = 0.0022676 k( 114) = ( 0.5000000 0.4983447 0.3122105), wk = 0.0022676 k( 115) = ( 0.5000000 0.4983447 0.3122105), wk = 0.0022676 k( 116) = ( 0.5080558 0.4902621 0.3122105), wk = 0.0022676 k( 117) = ( 0.5161116 0.4821796 0.3122105), wk = 0.0022676 k( 118) = ( 0.5241674 0.4740970 0.3122105), wk = 0.0022676 k( 119) = ( 0.5322232 0.4660144 0.3122105), wk = 0.0022676 k( 120) = ( 0.5402790 0.4579319 0.3122105), wk = 0.0022676 k( 121) = ( 0.5483348 0.4498493 0.3122105), wk = 0.0022676 k( 122) = ( 0.5563906 0.4417668 0.3122105), wk = 0.0022676 k( 123) = ( 0.5644464 0.4336842 0.3122105), wk = 0.0022676 k( 124) = ( 0.5725022 0.4256016 0.3122105), wk = 0.0022676 k( 125) = ( 0.5805580 0.4175191 0.3122105), wk = 0.0022676 k( 126) = ( 0.5886138 0.4094365 0.3122105), wk = 0.0022676 k( 127) = ( 0.4113862 -0.4127527 0.5215137), wk = 0.0022676 k( 128) = ( 0.4033198 -0.4046595 0.5215137), wk = 0.0022676 k( 129) = ( 0.3952534 -0.3965663 0.5215137), wk = 0.0022676 k( 130) = ( 0.3871870 -0.3884731 0.5215137), wk = 0.0022676 k( 131) = ( 0.3791206 -0.3803799 0.5215137), wk = 0.0022676 k( 132) = ( 0.3710542 -0.3722867 0.5215137), wk = 0.0022676 k( 133) = ( 0.3629878 -0.3641935 0.5215137), wk = 0.0022676 k( 134) = ( 0.3549214 -0.3561003 0.5215137), wk = 0.0022676 k( 135) = ( 0.3468550 -0.3480071 0.5215137), wk = 0.0022676 k( 136) = ( 0.3387886 -0.3399140 0.5215137), wk = 0.0022676 k( 137) = ( 0.3307222 -0.3318208 0.5215137), wk = 0.0022676 k( 138) = ( 0.3226558 -0.3237276 0.5215137), wk = 0.0022676 k( 139) = ( 0.3145894 -0.3156344 0.5215137), wk = 0.0022676 k( 140) = ( 0.3065230 -0.3075412 0.5215137), wk = 0.0022676 k( 141) = ( 0.2984566 -0.2994480 0.5215137), wk = 0.0022676 k( 142) = ( 0.2903903 -0.2913548 0.5215137), wk = 0.0022676 k( 143) = ( 0.2823238 -0.2832616 0.5215137), wk = 0.0022676 k( 144) = ( 0.2742575 -0.2751684 0.5215137), wk = 0.0022676 k( 145) = ( 0.2661911 -0.2670752 0.5215137), wk = 0.0022676 k( 146) = ( 0.2581247 -0.2589821 0.5215137), wk = 0.0022676 k( 147) = ( 0.2500583 -0.2508889 0.5215137), wk = 0.0022676 k( 148) = ( 0.2419919 -0.2427957 0.5215137), wk = 0.0022676 k( 149) = ( 0.2339255 -0.2347025 0.5215137), wk = 0.0022676 k( 150) = ( 0.2258591 -0.2266093 0.5215137), wk = 0.0022676 k( 151) = ( 0.2177927 -0.2185161 0.5215137), wk = 0.0022676 k( 152) = ( 0.2097263 -0.2104229 0.5215137), wk = 0.0022676 k( 153) = ( 0.2016599 -0.2023297 0.5215137), wk = 0.0022676 k( 154) = ( 0.1935935 -0.1942365 0.5215137), wk = 0.0022676 k( 155) = ( 0.1855271 -0.1861434 0.5215137), wk = 0.0022676 k( 156) = ( 0.1774607 -0.1780502 0.5215137), wk = 0.0022676 k( 157) = ( 0.1693943 -0.1699570 0.5215137), wk = 0.0022676 k( 158) = ( 0.1613279 -0.1618638 0.5215137), wk = 0.0022676 k( 159) = ( 0.1532615 -0.1537706 0.5215137), wk = 0.0022676 k( 160) = ( 0.1451951 -0.1456774 0.5215137), wk = 0.0022676 k( 161) = ( 0.1371287 -0.1375842 0.5215137), wk = 0.0022676 k( 162) = ( 0.1290623 -0.1294910 0.5215137), wk = 0.0022676 k( 163) = ( 0.1209959 -0.1213978 0.5215137), wk = 0.0022676 k( 164) = ( 0.1129295 -0.1133047 0.5215137), wk = 0.0022676 k( 165) = ( 0.1048632 -0.1052115 0.5215137), wk = 0.0022676 k( 166) = ( 0.0967968 -0.0971183 0.5215137), wk = 0.0022676 k( 167) = ( 0.0887303 -0.0890251 0.5215137), wk = 0.0022676 k( 168) = ( 0.0806640 -0.0809319 0.5215137), wk = 0.0022676 k( 169) = ( 0.0725976 -0.0728387 0.5215137), wk = 0.0022676 k( 170) = ( 0.0645312 -0.0647455 0.5215137), wk = 0.0022676 k( 171) = ( 0.0564648 -0.0566523 0.5215137), wk = 0.0022676 k( 172) = ( 0.0483984 -0.0485591 0.5215137), wk = 0.0022676 k( 173) = ( 0.0403320 -0.0404659 0.5215137), wk = 0.0022676 k( 174) = ( 0.0322656 -0.0323728 0.5215137), wk = 0.0022676 k( 175) = ( 0.0241992 -0.0242796 0.5215137), wk = 0.0022676 k( 176) = ( 0.0161328 -0.0161864 0.5215137), wk = 0.0022676 k( 177) = ( 0.0080664 -0.0080932 0.5215137), wk = 0.0022676 k( 178) = ( 0.0000000 0.0000000 0.5215137), wk = 0.0022676 k( 179) = ( 0.0000000 0.0000000 0.5215137), wk = 0.0022676 k( 180) = ( 0.0079639 0.0079376 0.5215137), wk = 0.0022676 k( 181) = ( 0.0159278 0.0158751 0.5215137), wk = 0.0022676 k( 182) = ( 0.0238917 0.0238127 0.5215137), wk = 0.0022676 k( 183) = ( 0.0318557 0.0317502 0.5215137), wk = 0.0022676 k( 184) = ( 0.0398196 0.0396878 0.5215137), wk = 0.0022676 k( 185) = ( 0.0477835 0.0476253 0.5215137), wk = 0.0022676 k( 186) = ( 0.0557474 0.0555629 0.5215137), wk = 0.0022676 k( 187) = ( 0.0637113 0.0635004 0.5215137), wk = 0.0022676 k( 188) = ( 0.0716752 0.0714380 0.5215137), wk = 0.0022676 k( 189) = ( 0.0796392 0.0793755 0.5215137), wk = 0.0022676 k( 190) = ( 0.0876031 0.0873131 0.5215137), wk = 0.0022676 k( 191) = ( 0.0955670 0.0952506 0.5215137), wk = 0.0022676 k( 192) = ( 0.1035309 0.1031882 0.5215137), wk = 0.0022676 k( 193) = ( 0.1114948 0.1111257 0.5215137), wk = 0.0022676 k( 194) = ( 0.1194588 0.1190633 0.5215137), wk = 0.0022676 k( 195) = ( 0.1274227 0.1270008 0.5215137), wk = 0.0022676 k( 196) = ( 0.1353866 0.1349384 0.5215137), wk = 0.0022676 k( 197) = ( 0.1433505 0.1428759 0.5215137), wk = 0.0022676 k( 198) = ( 0.1513144 0.1508135 0.5215137), wk = 0.0022676 k( 199) = ( 0.1592783 0.1587510 0.5215137), wk = 0.0022676 k( 200) = ( 0.1672423 0.1666886 0.5215137), wk = 0.0022676 k( 201) = ( 0.1752062 0.1746261 0.5215137), wk = 0.0022676 k( 202) = ( 0.1831701 0.1825637 0.5215137), wk = 0.0022676 k( 203) = ( 0.1911340 0.1905012 0.5215137), wk = 0.0022676 k( 204) = ( 0.1990979 0.1984388 0.5215137), wk = 0.0022676 k( 205) = ( 0.2070618 0.2063763 0.5215137), wk = 0.0022676 k( 206) = ( 0.2150257 0.2143139 0.5215137), wk = 0.0022676 k( 207) = ( 0.2229897 0.2222514 0.5215137), wk = 0.0022676 k( 208) = ( 0.2309536 0.2301890 0.5215137), wk = 0.0022676 k( 209) = ( 0.2389175 0.2381265 0.5215137), wk = 0.0022676 k( 210) = ( 0.2468814 0.2460641 0.5215137), wk = 0.0022676 k( 211) = ( 0.2548453 0.2540016 0.5215137), wk = 0.0022676 k( 212) = ( 0.2628093 0.2619392 0.5215137), wk = 0.0022676 k( 213) = ( 0.2707732 0.2698767 0.5215137), wk = 0.0022676 k( 214) = ( 0.2787371 0.2778143 0.5215137), wk = 0.0022676 k( 215) = ( 0.2867010 0.2857518 0.5215137), wk = 0.0022676 k( 216) = ( 0.2946649 0.2936894 0.5215137), wk = 0.0022676 k( 217) = ( 0.3026288 0.3016269 0.5215137), wk = 0.0022676 k( 218) = ( 0.3105928 0.3095645 0.5215137), wk = 0.0022676 k( 219) = ( 0.3185567 0.3175020 0.5215137), wk = 0.0022676 k( 220) = ( 0.3265206 0.3254396 0.5215137), wk = 0.0022676 k( 221) = ( 0.3344845 0.3333772 0.5215137), wk = 0.0022676 k( 222) = ( 0.3424484 0.3413147 0.5215137), wk = 0.0022676 k( 223) = ( 0.3504123 0.3492523 0.5215137), wk = 0.0022676 k( 224) = ( 0.3583763 0.3571898 0.5215137), wk = 0.0022676 k( 225) = ( 0.3663402 0.3651273 0.5215137), wk = 0.0022676 k( 226) = ( 0.3743041 0.3730649 0.5215137), wk = 0.0022676 k( 227) = ( 0.3822680 0.3810025 0.5215137), wk = 0.0022676 k( 228) = ( 0.3902319 0.3889400 0.5215137), wk = 0.0022676 k( 229) = ( 0.3981958 0.3968776 0.5215137), wk = 0.0022676 k( 230) = ( 0.4061598 0.4048151 0.5215137), wk = 0.0022676 k( 231) = ( 0.4141237 0.4127527 0.5215137), wk = 0.0022676 k( 232) = ( 0.4141237 0.4127527 0.5215137), wk = 0.0022676 k( 233) = ( 0.4195359 0.4181470 0.5150435), wk = 0.0022676 k( 234) = ( 0.4249482 0.4235413 0.5085733), wk = 0.0022676 k( 235) = ( 0.4303605 0.4289357 0.5021031), wk = 0.0022676 k( 236) = ( 0.4357727 0.4343300 0.4956328), wk = 0.0022676 k( 237) = ( 0.4411850 0.4397244 0.4891626), wk = 0.0022676 k( 238) = ( 0.4465973 0.4451187 0.4826924), wk = 0.0022676 k( 239) = ( 0.5858763 -0.4160688 0.3122105), wk = 0.0022676 k( 240) = ( 0.5836299 -0.4183078 0.3015131), wk = 0.0022676 k( 241) = ( 0.5813835 -0.4205468 0.2908156), wk = 0.0022676 k( 242) = ( 0.5791370 -0.4227858 0.2801182), wk = 0.0022676 k( 243) = ( 0.5768906 -0.4250248 0.2694207), wk = 0.0022676 k( 244) = ( 0.5746441 -0.4272638 0.2587232), wk = 0.0022676 k( 245) = ( 0.5723977 -0.4295028 0.2480258), wk = 0.0022676 k( 246) = ( 0.5701513 -0.4317418 0.2373283), wk = 0.0022676 k( 247) = ( 0.5679048 -0.4339808 0.2266309), wk = 0.0022676 k( 248) = ( 0.5656584 -0.4362198 0.2159334), wk = 0.0022676 k( 249) = ( 0.5634120 -0.4384588 0.2052360), wk = 0.0022676 k( 250) = ( 0.5611655 -0.4406978 0.1945385), wk = 0.0022676 k( 251) = ( 0.5589191 -0.4429368 0.1838410), wk = 0.0022676 k( 252) = ( 0.5566726 -0.4451758 0.1731436), wk = 0.0022676 k( 253) = ( 0.5544262 -0.4474148 0.1624461), wk = 0.0022676 k( 254) = ( 0.5521798 -0.4496538 0.1517487), wk = 0.0022676 k( 255) = ( 0.5499333 -0.4518928 0.1410512), wk = 0.0022676 k( 256) = ( 0.5476869 -0.4541318 0.1303538), wk = 0.0022676 k( 257) = ( 0.5454405 -0.4563708 0.1196563), wk = 0.0022676 k( 258) = ( 0.5431940 -0.4586098 0.1089588), wk = 0.0022676 k( 259) = ( 0.5409476 -0.4608488 0.0982614), wk = 0.0022676 k( 260) = ( 0.5387012 -0.4630878 0.0875639), wk = 0.0022676 k( 261) = ( 0.5364547 -0.4653268 0.0768665), wk = 0.0022676 k( 262) = ( 0.5342083 -0.4675658 0.0661690), wk = 0.0022676 k( 263) = ( 0.5319618 -0.4698048 0.0554716), wk = 0.0022676 k( 264) = ( 0.5297154 -0.4720438 0.0447741), wk = 0.0022676 k( 265) = ( 0.5274690 -0.4742828 0.0340766), wk = 0.0022676 k( 266) = ( 0.5252225 -0.4765218 0.0233792), wk = 0.0022676 k( 267) = ( 0.5229761 -0.4787608 0.0126817), wk = 0.0022676 k( 268) = ( 0.5207297 -0.4809998 0.0019843), wk = 0.0022676 k( 269) = ( 0.5184832 -0.4832388 -0.0087132), wk = 0.0022676 k( 270) = ( 0.5162368 -0.4854778 -0.0194106), wk = 0.0022676 k( 271) = ( 0.5162368 -0.4854778 -0.0194106), wk = 0.0022676 k( 272) = ( 0.5108245 -0.4908721 -0.0129404), wk = 0.0022676 k( 273) = ( 0.5054123 -0.4962665 -0.0064702), wk = 0.0022676 k( 274) = ( 0.5000000 -0.5016608 0.0000000), wk = 0.0022676 k( 275) = ( 0.5000000 -0.5016608 0.0000000), wk = 0.0022676 k( 276) = ( 0.4919355 -0.4935695 0.0000000), wk = 0.0022676 k( 277) = ( 0.4838710 -0.4854782 0.0000000), wk = 0.0022676 k( 278) = ( 0.4758064 -0.4773869 0.0000000), wk = 0.0022676 k( 279) = ( 0.4677419 -0.4692956 0.0000000), wk = 0.0022676 k( 280) = ( 0.4596774 -0.4612043 0.0000000), wk = 0.0022676 k( 281) = ( 0.4516129 -0.4531130 0.0000000), wk = 0.0022676 k( 282) = ( 0.4435484 -0.4450217 0.0000000), wk = 0.0022676 k( 283) = ( 0.4354839 -0.4369304 0.0000000), wk = 0.0022676 k( 284) = ( 0.4274193 -0.4288391 0.0000000), wk = 0.0022676 k( 285) = ( 0.4193548 -0.4207478 0.0000000), wk = 0.0022676 k( 286) = ( 0.4112903 -0.4126565 0.0000000), wk = 0.0022676 k( 287) = ( 0.4032258 -0.4045652 0.0000000), wk = 0.0022676 k( 288) = ( 0.3951613 -0.3964739 0.0000000), wk = 0.0022676 k( 289) = ( 0.3870968 -0.3883826 0.0000000), wk = 0.0022676 k( 290) = ( 0.3790323 -0.3802913 0.0000000), wk = 0.0022676 k( 291) = ( 0.3709677 -0.3722000 0.0000000), wk = 0.0022676 k( 292) = ( 0.3629032 -0.3641087 0.0000000), wk = 0.0022676 k( 293) = ( 0.3548387 -0.3560174 0.0000000), wk = 0.0022676 k( 294) = ( 0.3467742 -0.3479260 0.0000000), wk = 0.0022676 k( 295) = ( 0.3387097 -0.3398348 0.0000000), wk = 0.0022676 k( 296) = ( 0.3306452 -0.3317434 0.0000000), wk = 0.0022676 k( 297) = ( 0.3225807 -0.3236521 0.0000000), wk = 0.0022676 k( 298) = ( 0.3145161 -0.3155608 0.0000000), wk = 0.0022676 k( 299) = ( 0.3064516 -0.3074695 0.0000000), wk = 0.0022676 k( 300) = ( 0.2983871 -0.2993782 0.0000000), wk = 0.0022676 k( 301) = ( 0.2903226 -0.2912869 0.0000000), wk = 0.0022676 k( 302) = ( 0.2822581 -0.2831956 0.0000000), wk = 0.0022676 k( 303) = ( 0.2741936 -0.2751043 0.0000000), wk = 0.0022676 k( 304) = ( 0.2661290 -0.2670130 0.0000000), wk = 0.0022676 k( 305) = ( 0.2580645 -0.2589217 0.0000000), wk = 0.0022676 k( 306) = ( 0.2500000 -0.2508304 0.0000000), wk = 0.0022676 k( 307) = ( 0.2419355 -0.2427391 0.0000000), wk = 0.0022676 k( 308) = ( 0.2338710 -0.2346478 0.0000000), wk = 0.0022676 k( 309) = ( 0.2258064 -0.2265565 0.0000000), wk = 0.0022676 k( 310) = ( 0.2177419 -0.2184652 0.0000000), wk = 0.0022676 k( 311) = ( 0.2096774 -0.2103739 0.0000000), wk = 0.0022676 k( 312) = ( 0.2016129 -0.2022826 0.0000000), wk = 0.0022676 k( 313) = ( 0.1935484 -0.1941913 0.0000000), wk = 0.0022676 k( 314) = ( 0.1854839 -0.1861000 0.0000000), wk = 0.0022676 k( 315) = ( 0.1774194 -0.1780087 0.0000000), wk = 0.0022676 k( 316) = ( 0.1693548 -0.1699174 0.0000000), wk = 0.0022676 k( 317) = ( 0.1612903 -0.1618261 0.0000000), wk = 0.0022676 k( 318) = ( 0.1532258 -0.1537348 0.0000000), wk = 0.0022676 k( 319) = ( 0.1451613 -0.1456435 0.0000000), wk = 0.0022676 k( 320) = ( 0.1370968 -0.1375522 0.0000000), wk = 0.0022676 k( 321) = ( 0.1290323 -0.1294609 0.0000000), wk = 0.0022676 k( 322) = ( 0.1209677 -0.1213696 0.0000000), wk = 0.0022676 k( 323) = ( 0.1129032 -0.1132783 0.0000000), wk = 0.0022676 k( 324) = ( 0.1048387 -0.1051869 0.0000000), wk = 0.0022676 k( 325) = ( 0.0967742 -0.0970956 0.0000000), wk = 0.0022676 k( 326) = ( 0.0887097 -0.0890043 0.0000000), wk = 0.0022676 k( 327) = ( 0.0806452 -0.0809130 0.0000000), wk = 0.0022676 k( 328) = ( 0.0725806 -0.0728217 0.0000000), wk = 0.0022676 k( 329) = ( 0.0645161 -0.0647304 0.0000000), wk = 0.0022676 k( 330) = ( 0.0564516 -0.0566391 0.0000000), wk = 0.0022676 k( 331) = ( 0.0483871 -0.0485478 0.0000000), wk = 0.0022676 k( 332) = ( 0.0403226 -0.0404565 0.0000000), wk = 0.0022676 k( 333) = ( 0.0322581 -0.0323652 0.0000000), wk = 0.0022676 k( 334) = ( 0.0241936 -0.0242739 0.0000000), wk = 0.0022676 k( 335) = ( 0.0161290 -0.0161826 0.0000000), wk = 0.0022676 k( 336) = ( 0.0080645 -0.0080913 0.0000000), wk = 0.0022676 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 338) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 339) = ( 0.0111111 -0.0000368 -0.0023256), wk = 0.0022676 k( 340) = ( 0.0222222 -0.0000737 -0.0046512), wk = 0.0022676 k( 341) = ( 0.0333333 -0.0001105 -0.0069768), wk = 0.0022676 k( 342) = ( 0.0444444 -0.0001474 -0.0093024), wk = 0.0022676 k( 343) = ( 0.0555556 -0.0001842 -0.0116280), wk = 0.0022676 k( 344) = ( 0.0666667 -0.0002211 -0.0139535), wk = 0.0022676 k( 345) = ( 0.0777778 -0.0002579 -0.0162791), wk = 0.0022676 k( 346) = ( 0.0888889 -0.0002948 -0.0186047), wk = 0.0022676 k( 347) = ( 0.1000000 -0.0003316 -0.0209303), wk = 0.0022676 k( 348) = ( 0.1111111 -0.0003685 -0.0232559), wk = 0.0022676 k( 349) = ( 0.1222222 -0.0004053 -0.0255815), wk = 0.0022676 k( 350) = ( 0.1333333 -0.0004422 -0.0279071), wk = 0.0022676 k( 351) = ( 0.1444444 -0.0004790 -0.0302327), wk = 0.0022676 k( 352) = ( 0.1555556 -0.0005158 -0.0325583), wk = 0.0022676 k( 353) = ( 0.1666667 -0.0005527 -0.0348839), wk = 0.0022676 k( 354) = ( 0.1777778 -0.0005895 -0.0372095), wk = 0.0022676 k( 355) = ( 0.1888889 -0.0006264 -0.0395350), wk = 0.0022676 k( 356) = ( 0.2000000 -0.0006632 -0.0418606), wk = 0.0022676 k( 357) = ( 0.2111111 -0.0007001 -0.0441862), wk = 0.0022676 k( 358) = ( 0.2222222 -0.0007369 -0.0465118), wk = 0.0022676 k( 359) = ( 0.2333333 -0.0007738 -0.0488374), wk = 0.0022676 k( 360) = ( 0.2444444 -0.0008106 -0.0511630), wk = 0.0022676 k( 361) = ( 0.2555556 -0.0008475 -0.0534886), wk = 0.0022676 k( 362) = ( 0.2666667 -0.0008843 -0.0558142), wk = 0.0022676 k( 363) = ( 0.2777778 -0.0009211 -0.0581398), wk = 0.0022676 k( 364) = ( 0.2888889 -0.0009580 -0.0604654), wk = 0.0022676 k( 365) = ( 0.3000000 -0.0009948 -0.0627910), wk = 0.0022676 k( 366) = ( 0.3111111 -0.0010317 -0.0651165), wk = 0.0022676 k( 367) = ( 0.3222222 -0.0010685 -0.0674421), wk = 0.0022676 k( 368) = ( 0.3333333 -0.0011054 -0.0697677), wk = 0.0022676 k( 369) = ( 0.3444444 -0.0011422 -0.0720933), wk = 0.0022676 k( 370) = ( 0.3555556 -0.0011791 -0.0744189), wk = 0.0022676 k( 371) = ( 0.3666667 -0.0012159 -0.0767445), wk = 0.0022676 k( 372) = ( 0.3777778 -0.0012528 -0.0790701), wk = 0.0022676 k( 373) = ( 0.3888889 -0.0012896 -0.0813957), wk = 0.0022676 k( 374) = ( 0.4000000 -0.0013265 -0.0837213), wk = 0.0022676 k( 375) = ( 0.4111111 -0.0013633 -0.0860469), wk = 0.0022676 k( 376) = ( 0.4222222 -0.0014001 -0.0883725), wk = 0.0022676 k( 377) = ( 0.4333333 -0.0014370 -0.0906980), wk = 0.0022676 k( 378) = ( 0.4444444 -0.0014738 -0.0930236), wk = 0.0022676 k( 379) = ( 0.4555556 -0.0015107 -0.0953492), wk = 0.0022676 k( 380) = ( 0.4666667 -0.0015475 -0.0976748), wk = 0.0022676 k( 381) = ( 0.4777778 -0.0015844 -0.1000004), wk = 0.0022676 k( 382) = ( 0.4888889 -0.0016212 -0.1023260), wk = 0.0022676 k( 383) = ( 0.5000000 -0.0016581 -0.1046516), wk = 0.0022676 k( 384) = ( 0.5000000 -0.0016581 0.4168621), wk = 0.0022676 k( 385) = ( 0.4912281 -0.0016290 0.4095487), wk = 0.0022676 k( 386) = ( 0.4824561 -0.0015999 0.4022354), wk = 0.0022676 k( 387) = ( 0.4736842 -0.0015708 0.3949220), wk = 0.0022676 k( 388) = ( 0.4649123 -0.0015417 0.3876086), wk = 0.0022676 k( 389) = ( 0.4561404 -0.0015126 0.3802953), wk = 0.0022676 k( 390) = ( 0.4473684 -0.0014835 0.3729819), wk = 0.0022676 k( 391) = ( 0.4385965 -0.0014544 0.3656685), wk = 0.0022676 k( 392) = ( 0.4298246 -0.0014254 0.3583552), wk = 0.0022676 k( 393) = ( 0.4210526 -0.0013963 0.3510418), wk = 0.0022676 k( 394) = ( 0.4122807 -0.0013672 0.3437284), wk = 0.0022676 k( 395) = ( 0.4035088 -0.0013381 0.3364150), wk = 0.0022676 k( 396) = ( 0.3947368 -0.0013090 0.3291017), wk = 0.0022676 k( 397) = ( 0.3859649 -0.0012799 0.3217883), wk = 0.0022676 k( 398) = ( 0.3771930 -0.0012508 0.3144749), wk = 0.0022676 k( 399) = ( 0.3684211 -0.0012217 0.3071616), wk = 0.0022676 k( 400) = ( 0.3596491 -0.0011926 0.2998482), wk = 0.0022676 k( 401) = ( 0.3508772 -0.0011636 0.2925348), wk = 0.0022676 k( 402) = ( 0.3421053 -0.0011345 0.2852214), wk = 0.0022676 k( 403) = ( 0.3333333 -0.0011054 0.2779081), wk = 0.0022676 k( 404) = ( 0.3245614 -0.0010763 0.2705947), wk = 0.0022676 k( 405) = ( 0.3157895 -0.0010472 0.2632813), wk = 0.0022676 k( 406) = ( 0.3070175 -0.0010181 0.2559680), wk = 0.0022676 k( 407) = ( 0.2982456 -0.0009890 0.2486546), wk = 0.0022676 k( 408) = ( 0.2894737 -0.0009599 0.2413412), wk = 0.0022676 k( 409) = ( 0.2807018 -0.0009308 0.2340279), wk = 0.0022676 k( 410) = ( 0.2719298 -0.0009018 0.2267145), wk = 0.0022676 k( 411) = ( 0.2631579 -0.0008727 0.2194011), wk = 0.0022676 k( 412) = ( 0.2543860 -0.0008436 0.2120877), wk = 0.0022676 k( 413) = ( 0.2456140 -0.0008145 0.2047744), wk = 0.0022676 k( 414) = ( 0.2368421 -0.0007854 0.1974610), wk = 0.0022676 k( 415) = ( 0.2280702 -0.0007563 0.1901476), wk = 0.0022676 k( 416) = ( 0.2192983 -0.0007272 0.1828343), wk = 0.0022676 k( 417) = ( 0.2105263 -0.0006981 0.1755209), wk = 0.0022676 k( 418) = ( 0.2017544 -0.0006690 0.1682075), wk = 0.0022676 k( 419) = ( 0.1929825 -0.0006400 0.1608942), wk = 0.0022676 k( 420) = ( 0.1842105 -0.0006109 0.1535808), wk = 0.0022676 k( 421) = ( 0.1754386 -0.0005818 0.1462674), wk = 0.0022676 k( 422) = ( 0.1666667 -0.0005527 0.1389540), wk = 0.0022676 k( 423) = ( 0.1578947 -0.0005236 0.1316407), wk = 0.0022676 k( 424) = ( 0.1491228 -0.0004945 0.1243273), wk = 0.0022676 k( 425) = ( 0.1403509 -0.0004654 0.1170139), wk = 0.0022676 k( 426) = ( 0.1315790 -0.0004363 0.1097006), wk = 0.0022676 k( 427) = ( 0.1228070 -0.0004072 0.1023872), wk = 0.0022676 k( 428) = ( 0.1140351 -0.0003782 0.0950738), wk = 0.0022676 k( 429) = ( 0.1052632 -0.0003491 0.0877604), wk = 0.0022676 k( 430) = ( 0.0964912 -0.0003200 0.0804471), wk = 0.0022676 k( 431) = ( 0.0877193 -0.0002909 0.0731337), wk = 0.0022676 k( 432) = ( 0.0789474 -0.0002618 0.0658203), wk = 0.0022676 k( 433) = ( 0.0701754 -0.0002327 0.0585070), wk = 0.0022676 k( 434) = ( 0.0614035 -0.0002036 0.0511936), wk = 0.0022676 k( 435) = ( 0.0526316 -0.0001745 0.0438802), wk = 0.0022676 k( 436) = ( 0.0438597 -0.0001454 0.0365669), wk = 0.0022676 k( 437) = ( 0.0350877 -0.0001164 0.0292535), wk = 0.0022676 k( 438) = ( 0.0263158 -0.0000873 0.0219401), wk = 0.0022676 k( 439) = ( 0.0175439 -0.0000582 0.0146267), wk = 0.0022676 k( 440) = ( 0.0087719 -0.0000291 0.0073134), wk = 0.0022676 k( 441) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0076788 0.0076788 0.0001920), wk = 0.0022676 k( 3) = ( 0.0153576 0.0153576 0.0003839), wk = 0.0022676 k( 4) = ( 0.0230363 0.0230363 0.0005759), wk = 0.0022676 k( 5) = ( 0.0307151 0.0307151 0.0007678), wk = 0.0022676 k( 6) = ( 0.0383939 0.0383939 0.0009598), wk = 0.0022676 k( 7) = ( 0.0460727 0.0460727 0.0011518), wk = 0.0022676 k( 8) = ( 0.0537515 0.0537515 0.0013437), wk = 0.0022676 k( 9) = ( 0.0614302 0.0614303 0.0015357), wk = 0.0022676 k( 10) = ( 0.0691090 0.0691090 0.0017276), wk = 0.0022676 k( 11) = ( 0.0767878 0.0767878 0.0019196), wk = 0.0022676 k( 12) = ( 0.0844666 0.0844666 0.0021116), wk = 0.0022676 k( 13) = ( 0.0921454 0.0921454 0.0023035), wk = 0.0022676 k( 14) = ( 0.0998242 0.0998242 0.0024955), wk = 0.0022676 k( 15) = ( 0.1075029 0.1075029 0.0026874), wk = 0.0022676 k( 16) = ( 0.1151817 0.1151817 0.0028794), wk = 0.0022676 k( 17) = ( 0.1228605 0.1228605 0.0030714), wk = 0.0022676 k( 18) = ( 0.1305393 0.1305393 0.0032633), wk = 0.0022676 k( 19) = ( 0.1382181 0.1382181 0.0034553), wk = 0.0022676 k( 20) = ( 0.1458968 0.1458968 0.0036472), wk = 0.0022676 k( 21) = ( 0.1535756 0.1535756 0.0038392), wk = 0.0022676 k( 22) = ( 0.1612544 0.1612544 0.0040312), wk = 0.0022676 k( 23) = ( 0.1689332 0.1689332 0.0042231), wk = 0.0022676 k( 24) = ( 0.1766120 0.1766120 0.0044151), wk = 0.0022676 k( 25) = ( 0.1842908 0.1842908 0.0046070), wk = 0.0022676 k( 26) = ( 0.1919695 0.1919695 0.0047990), wk = 0.0022676 k( 27) = ( 0.1996483 0.1996483 0.0049910), wk = 0.0022676 k( 28) = ( 0.2073271 0.2073271 0.0051829), wk = 0.0022676 k( 29) = ( 0.2150059 0.2150059 0.0053749), wk = 0.0022676 k( 30) = ( 0.2226847 0.2226847 0.0055668), wk = 0.0022676 k( 31) = ( 0.2303634 0.2303634 0.0057588), wk = 0.0022676 k( 32) = ( 0.2380422 0.2380422 0.0059508), wk = 0.0022676 k( 33) = ( 0.2457210 0.2457210 0.0061427), wk = 0.0022676 k( 34) = ( 0.2533998 0.2533998 0.0063347), wk = 0.0022676 k( 35) = ( 0.2610786 0.2610786 0.0065266), wk = 0.0022676 k( 36) = ( 0.2687573 0.2687573 0.0067186), wk = 0.0022676 k( 37) = ( 0.2764361 0.2764361 0.0069105), wk = 0.0022676 k( 38) = ( 0.2841149 0.2841149 0.0071025), wk = 0.0022676 k( 39) = ( 0.2917937 0.2917937 0.0072945), wk = 0.0022676 k( 40) = ( 0.2994725 0.2994725 0.0074864), wk = 0.0022676 k( 41) = ( 0.3071512 0.3071512 0.0076784), wk = 0.0022676 k( 42) = ( 0.3148300 0.3148300 0.0078703), wk = 0.0022676 k( 43) = ( 0.3225088 0.3225088 0.0080623), wk = 0.0022676 k( 44) = ( 0.3301876 0.3301876 0.0082543), wk = 0.0022676 k( 45) = ( 0.3378664 0.3378664 0.0084462), wk = 0.0022676 k( 46) = ( 0.3455452 0.3455452 0.0086382), wk = 0.0022676 k( 47) = ( 0.3532239 0.3532239 0.0088301), wk = 0.0022676 k( 48) = ( 0.3609027 0.3609027 0.0090221), wk = 0.0022676 k( 49) = ( 0.3685815 0.3685815 0.0092141), wk = 0.0022676 k( 50) = ( 0.3762603 0.3762603 0.0094060), wk = 0.0022676 k( 51) = ( 0.3839391 0.3839391 0.0095980), wk = 0.0022676 k( 52) = ( 0.3916178 0.3916178 0.0097899), wk = 0.0022676 k( 53) = ( 0.3992966 0.3992966 0.0099819), wk = 0.0022676 k( 54) = ( 0.4069754 0.4069754 0.0101739), wk = 0.0022676 k( 55) = ( 0.4146542 0.4146542 0.0103658), wk = 0.0022676 k( 56) = ( 0.4223330 0.4223330 0.0105578), wk = 0.0022676 k( 57) = ( 0.4300117 0.4300117 0.0107498), wk = 0.0022676 k( 58) = ( 0.4376905 0.4376905 0.0109417), wk = 0.0022676 k( 59) = ( 0.4453693 0.4453693 0.0111337), wk = 0.0022676 k( 60) = ( 0.4530481 0.4530481 0.0113256), wk = 0.0022676 k( 61) = ( 0.4607269 0.4607269 0.0115176), wk = 0.0022676 k( 62) = ( 0.4684057 0.4684057 0.0117095), wk = 0.0022676 k( 63) = ( 0.4760844 0.4760844 0.0119015), wk = 0.0022676 k( 64) = ( 0.4837632 0.4837632 0.0120935), wk = 0.0022676 k( 65) = ( 0.4837632 0.4837632 0.0120935), wk = 0.0022676 k( 66) = ( 0.4860097 0.4860097 0.0232512), wk = 0.0022676 k( 67) = ( 0.4882561 0.4882561 0.0344089), wk = 0.0022676 k( 68) = ( 0.4905025 0.4905025 0.0455667), wk = 0.0022676 k( 69) = ( 0.4927490 0.4927490 0.0567244), wk = 0.0022676 k( 70) = ( 0.4949954 0.4949954 0.0678822), wk = 0.0022676 k( 71) = ( 0.4972418 0.4972418 0.0790399), wk = 0.0022676 k( 72) = ( 0.4994883 0.4994883 0.0901977), wk = 0.0022676 k( 73) = ( 0.5017347 0.5017347 0.1013554), wk = 0.0022676 k( 74) = ( 0.5039811 0.5039811 0.1125131), wk = 0.0022676 k( 75) = ( 0.5062276 0.5062276 0.1236709), wk = 0.0022676 k( 76) = ( 0.5084740 0.5084740 0.1348286), wk = 0.0022676 k( 77) = ( 0.5107204 0.5107204 0.1459864), wk = 0.0022676 k( 78) = ( 0.5129669 0.5129669 0.1571441), wk = 0.0022676 k( 79) = ( 0.5152133 0.5152133 0.1683018), wk = 0.0022676 k( 80) = ( 0.5174598 0.5174598 0.1794596), wk = 0.0022676 k( 81) = ( 0.5197062 0.5197062 0.1906173), wk = 0.0022676 k( 82) = ( 0.5219526 0.5219526 0.2017751), wk = 0.0022676 k( 83) = ( 0.5241991 0.5241991 0.2129328), wk = 0.0022676 k( 84) = ( 0.5264455 0.5264455 0.2240905), wk = 0.0022676 k( 85) = ( 0.5286919 0.5286919 0.2352483), wk = 0.0022676 k( 86) = ( 0.5309384 0.5309384 0.2464060), wk = 0.0022676 k( 87) = ( 0.5331848 0.5331848 0.2575638), wk = 0.0022676 k( 88) = ( 0.5354313 0.5354313 0.2687215), wk = 0.0022676 k( 89) = ( 0.5376777 0.5376777 0.2798793), wk = 0.0022676 k( 90) = ( 0.5399241 0.5399241 0.2910370), wk = 0.0022676 k( 91) = ( 0.5421706 0.5421706 0.3021947), wk = 0.0022676 k( 92) = ( 0.5444170 0.5444170 0.3133525), wk = 0.0022676 k( 93) = ( 0.5466634 0.5466634 0.3245102), wk = 0.0022676 k( 94) = ( 0.5489099 0.5489099 0.3356680), wk = 0.0022676 k( 95) = ( 0.5511563 0.5511563 0.3468257), wk = 0.0022676 k( 96) = ( 0.5534028 0.5534028 0.3579834), wk = 0.0022676 k( 97) = ( 0.5534028 0.5534028 0.3579834), wk = 0.0022676 k( 98) = ( 0.5502614 0.5502614 0.3663374), wk = 0.0022676 k( 99) = ( 0.5471201 0.5471201 0.3746913), wk = 0.0022676 k( 100) = ( 0.5439787 0.5439787 0.3830452), wk = 0.0022676 k( 101) = ( 0.5408374 0.5408374 0.3913991), wk = 0.0022676 k( 102) = ( 0.5376961 0.5376961 0.3997530), wk = 0.0022676 k( 103) = ( 0.5345547 0.5345547 0.4081069), wk = 0.0022676 k( 104) = ( 0.5314134 0.5314134 0.4164608), wk = 0.0022676 k( 105) = ( 0.5282720 0.5282720 0.4248148), wk = 0.0022676 k( 106) = ( 0.5251307 0.5251307 0.4331687), wk = 0.0022676 k( 107) = ( 0.5219894 0.5219894 0.4415226), wk = 0.0022676 k( 108) = ( 0.5188480 0.5188480 0.4498765), wk = 0.0022676 k( 109) = ( 0.5157067 0.5157067 0.4582304), wk = 0.0022676 k( 110) = ( 0.5125654 0.5125654 0.4665843), wk = 0.0022676 k( 111) = ( 0.5094240 0.5094240 0.4749383), wk = 0.0022676 k( 112) = ( 0.5062827 0.5062827 0.4832922), wk = 0.0022676 k( 113) = ( 0.5031413 0.5031413 0.4916461), wk = 0.0022676 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 116) = ( 0.5080558 0.4919442 0.5000000), wk = 0.0022676 k( 117) = ( 0.5161116 0.4838884 0.5000000), wk = 0.0022676 k( 118) = ( 0.5241674 0.4758326 0.5000000), wk = 0.0022676 k( 119) = ( 0.5322232 0.4677768 0.5000000), wk = 0.0022676 k( 120) = ( 0.5402790 0.4597210 0.5000000), wk = 0.0022676 k( 121) = ( 0.5483348 0.4516652 0.5000000), wk = 0.0022676 k( 122) = ( 0.5563906 0.4436094 0.5000000), wk = 0.0022676 k( 123) = ( 0.5644464 0.4355536 0.5000000), wk = 0.0022676 k( 124) = ( 0.5725022 0.4274978 0.5000000), wk = 0.0022676 k( 125) = ( 0.5805580 0.4194420 0.5000000), wk = 0.0022676 k( 126) = ( 0.5886138 0.4113862 0.5000000), wk = 0.0022676 k( 127) = ( 0.4113862 -0.4113862 0.5000000), wk = 0.0022676 k( 128) = ( 0.4033198 -0.4033198 0.5000000), wk = 0.0022676 k( 129) = ( 0.3952534 -0.3952534 0.5000000), wk = 0.0022676 k( 130) = ( 0.3871870 -0.3871870 0.5000000), wk = 0.0022676 k( 131) = ( 0.3791206 -0.3791206 0.5000000), wk = 0.0022676 k( 132) = ( 0.3710542 -0.3710542 0.5000000), wk = 0.0022676 k( 133) = ( 0.3629878 -0.3629878 0.5000000), wk = 0.0022676 k( 134) = ( 0.3549214 -0.3549214 0.5000000), wk = 0.0022676 k( 135) = ( 0.3468550 -0.3468550 0.5000000), wk = 0.0022676 k( 136) = ( 0.3387886 -0.3387886 0.5000000), wk = 0.0022676 k( 137) = ( 0.3307222 -0.3307222 0.5000000), wk = 0.0022676 k( 138) = ( 0.3226558 -0.3226558 0.5000000), wk = 0.0022676 k( 139) = ( 0.3145894 -0.3145894 0.5000000), wk = 0.0022676 k( 140) = ( 0.3065230 -0.3065230 0.5000000), wk = 0.0022676 k( 141) = ( 0.2984566 -0.2984566 0.5000000), wk = 0.0022676 k( 142) = ( 0.2903903 -0.2903903 0.5000000), wk = 0.0022676 k( 143) = ( 0.2823238 -0.2823238 0.5000000), wk = 0.0022676 k( 144) = ( 0.2742575 -0.2742575 0.5000000), wk = 0.0022676 k( 145) = ( 0.2661911 -0.2661911 0.5000000), wk = 0.0022676 k( 146) = ( 0.2581247 -0.2581247 0.5000000), wk = 0.0022676 k( 147) = ( 0.2500583 -0.2500583 0.5000000), wk = 0.0022676 k( 148) = ( 0.2419919 -0.2419919 0.5000000), wk = 0.0022676 k( 149) = ( 0.2339255 -0.2339255 0.5000000), wk = 0.0022676 k( 150) = ( 0.2258591 -0.2258591 0.5000000), wk = 0.0022676 k( 151) = ( 0.2177927 -0.2177927 0.5000000), wk = 0.0022676 k( 152) = ( 0.2097263 -0.2097263 0.5000000), wk = 0.0022676 k( 153) = ( 0.2016599 -0.2016599 0.5000000), wk = 0.0022676 k( 154) = ( 0.1935935 -0.1935935 0.5000000), wk = 0.0022676 k( 155) = ( 0.1855271 -0.1855271 0.5000000), wk = 0.0022676 k( 156) = ( 0.1774607 -0.1774607 0.5000000), wk = 0.0022676 k( 157) = ( 0.1693943 -0.1693943 0.5000000), wk = 0.0022676 k( 158) = ( 0.1613279 -0.1613279 0.5000000), wk = 0.0022676 k( 159) = ( 0.1532615 -0.1532615 0.5000000), wk = 0.0022676 k( 160) = ( 0.1451951 -0.1451951 0.5000000), wk = 0.0022676 k( 161) = ( 0.1371287 -0.1371287 0.5000000), wk = 0.0022676 k( 162) = ( 0.1290623 -0.1290623 0.5000000), wk = 0.0022676 k( 163) = ( 0.1209959 -0.1209959 0.5000000), wk = 0.0022676 k( 164) = ( 0.1129295 -0.1129295 0.5000000), wk = 0.0022676 k( 165) = ( 0.1048632 -0.1048632 0.5000000), wk = 0.0022676 k( 166) = ( 0.0967968 -0.0967968 0.5000000), wk = 0.0022676 k( 167) = ( 0.0887303 -0.0887303 0.5000000), wk = 0.0022676 k( 168) = ( 0.0806640 -0.0806640 0.5000000), wk = 0.0022676 k( 169) = ( 0.0725976 -0.0725976 0.5000000), wk = 0.0022676 k( 170) = ( 0.0645312 -0.0645312 0.5000000), wk = 0.0022676 k( 171) = ( 0.0564648 -0.0564648 0.5000000), wk = 0.0022676 k( 172) = ( 0.0483984 -0.0483984 0.5000000), wk = 0.0022676 k( 173) = ( 0.0403320 -0.0403320 0.5000000), wk = 0.0022676 k( 174) = ( 0.0322656 -0.0322656 0.5000000), wk = 0.0022676 k( 175) = ( 0.0241992 -0.0241992 0.5000000), wk = 0.0022676 k( 176) = ( 0.0161328 -0.0161328 0.5000000), wk = 0.0022676 k( 177) = ( 0.0080664 -0.0080664 0.5000000), wk = 0.0022676 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 180) = ( 0.0079639 0.0079639 0.5031962), wk = 0.0022676 k( 181) = ( 0.0159278 0.0159278 0.5063924), wk = 0.0022676 k( 182) = ( 0.0238917 0.0238917 0.5095887), wk = 0.0022676 k( 183) = ( 0.0318557 0.0318557 0.5127849), wk = 0.0022676 k( 184) = ( 0.0398196 0.0398196 0.5159811), wk = 0.0022676 k( 185) = ( 0.0477835 0.0477835 0.5191773), wk = 0.0022676 k( 186) = ( 0.0557474 0.0557474 0.5223735), wk = 0.0022676 k( 187) = ( 0.0637113 0.0637113 0.5255698), wk = 0.0022676 k( 188) = ( 0.0716752 0.0716752 0.5287660), wk = 0.0022676 k( 189) = ( 0.0796392 0.0796392 0.5319622), wk = 0.0022676 k( 190) = ( 0.0876031 0.0876031 0.5351584), wk = 0.0022676 k( 191) = ( 0.0955670 0.0955670 0.5383547), wk = 0.0022676 k( 192) = ( 0.1035309 0.1035309 0.5415509), wk = 0.0022676 k( 193) = ( 0.1114948 0.1114948 0.5447471), wk = 0.0022676 k( 194) = ( 0.1194588 0.1194588 0.5479433), wk = 0.0022676 k( 195) = ( 0.1274227 0.1274227 0.5511395), wk = 0.0022676 k( 196) = ( 0.1353866 0.1353866 0.5543358), wk = 0.0022676 k( 197) = ( 0.1433505 0.1433505 0.5575320), wk = 0.0022676 k( 198) = ( 0.1513144 0.1513144 0.5607282), wk = 0.0022676 k( 199) = ( 0.1592783 0.1592783 0.5639244), wk = 0.0022676 k( 200) = ( 0.1672423 0.1672423 0.5671206), wk = 0.0022676 k( 201) = ( 0.1752062 0.1752062 0.5703169), wk = 0.0022676 k( 202) = ( 0.1831701 0.1831701 0.5735131), wk = 0.0022676 k( 203) = ( 0.1911340 0.1911340 0.5767093), wk = 0.0022676 k( 204) = ( 0.1990979 0.1990979 0.5799055), wk = 0.0022676 k( 205) = ( 0.2070618 0.2070618 0.5831017), wk = 0.0022676 k( 206) = ( 0.2150257 0.2150257 0.5862980), wk = 0.0022676 k( 207) = ( 0.2229897 0.2229897 0.5894942), wk = 0.0022676 k( 208) = ( 0.2309536 0.2309536 0.5926904), wk = 0.0022676 k( 209) = ( 0.2389175 0.2389175 0.5958866), wk = 0.0022676 k( 210) = ( 0.2468814 0.2468814 0.5990829), wk = 0.0022676 k( 211) = ( 0.2548453 0.2548453 0.6022791), wk = 0.0022676 k( 212) = ( 0.2628093 0.2628093 0.6054753), wk = 0.0022676 k( 213) = ( 0.2707732 0.2707732 0.6086715), wk = 0.0022676 k( 214) = ( 0.2787371 0.2787371 0.6118677), wk = 0.0022676 k( 215) = ( 0.2867010 0.2867010 0.6150640), wk = 0.0022676 k( 216) = ( 0.2946649 0.2946649 0.6182602), wk = 0.0022676 k( 217) = ( 0.3026288 0.3026288 0.6214564), wk = 0.0022676 k( 218) = ( 0.3105928 0.3105928 0.6246526), wk = 0.0022676 k( 219) = ( 0.3185567 0.3185567 0.6278489), wk = 0.0022676 k( 220) = ( 0.3265206 0.3265206 0.6310451), wk = 0.0022676 k( 221) = ( 0.3344845 0.3344845 0.6342413), wk = 0.0022676 k( 222) = ( 0.3424484 0.3424484 0.6374375), wk = 0.0022676 k( 223) = ( 0.3504123 0.3504123 0.6406337), wk = 0.0022676 k( 224) = ( 0.3583763 0.3583763 0.6438299), wk = 0.0022676 k( 225) = ( 0.3663402 0.3663402 0.6470262), wk = 0.0022676 k( 226) = ( 0.3743041 0.3743041 0.6502224), wk = 0.0022676 k( 227) = ( 0.3822680 0.3822680 0.6534186), wk = 0.0022676 k( 228) = ( 0.3902319 0.3902319 0.6566148), wk = 0.0022676 k( 229) = ( 0.3981958 0.3981958 0.6598111), wk = 0.0022676 k( 230) = ( 0.4061598 0.4061598 0.6630073), wk = 0.0022676 k( 231) = ( 0.4141237 0.4141237 0.6662035), wk = 0.0022676 k( 232) = ( 0.4141237 0.4141237 0.6662035), wk = 0.0022676 k( 233) = ( 0.4195359 0.4195359 0.6621723), wk = 0.0022676 k( 234) = ( 0.4249482 0.4249482 0.6581412), wk = 0.0022676 k( 235) = ( 0.4303605 0.4303605 0.6541100), wk = 0.0022676 k( 236) = ( 0.4357727 0.4357727 0.6500789), wk = 0.0022676 k( 237) = ( 0.4411850 0.4411850 0.6460477), wk = 0.0022676 k( 238) = ( 0.4465973 0.4465972 0.6420166), wk = 0.0022676 k( 239) = ( 0.5858763 -0.4141237 0.3337965), wk = 0.0022676 k( 240) = ( 0.5836299 -0.4163701 0.3226388), wk = 0.0022676 k( 241) = ( 0.5813835 -0.4186165 0.3114810), wk = 0.0022676 k( 242) = ( 0.5791370 -0.4208630 0.3003233), wk = 0.0022676 k( 243) = ( 0.5768906 -0.4231094 0.2891655), wk = 0.0022676 k( 244) = ( 0.5746441 -0.4253559 0.2780078), wk = 0.0022676 k( 245) = ( 0.5723977 -0.4276023 0.2668501), wk = 0.0022676 k( 246) = ( 0.5701513 -0.4298487 0.2556923), wk = 0.0022676 k( 247) = ( 0.5679048 -0.4320952 0.2445346), wk = 0.0022676 k( 248) = ( 0.5656584 -0.4343416 0.2333768), wk = 0.0022676 k( 249) = ( 0.5634120 -0.4365880 0.2222191), wk = 0.0022676 k( 250) = ( 0.5611655 -0.4388345 0.2110614), wk = 0.0022676 k( 251) = ( 0.5589191 -0.4410809 0.1999036), wk = 0.0022676 k( 252) = ( 0.5566726 -0.4433274 0.1887459), wk = 0.0022676 k( 253) = ( 0.5544262 -0.4455738 0.1775881), wk = 0.0022676 k( 254) = ( 0.5521798 -0.4478202 0.1664304), wk = 0.0022676 k( 255) = ( 0.5499333 -0.4500667 0.1552727), wk = 0.0022676 k( 256) = ( 0.5476869 -0.4523131 0.1441149), wk = 0.0022676 k( 257) = ( 0.5454405 -0.4545595 0.1329572), wk = 0.0022676 k( 258) = ( 0.5431940 -0.4568060 0.1217994), wk = 0.0022676 k( 259) = ( 0.5409476 -0.4590524 0.1106417), wk = 0.0022676 k( 260) = ( 0.5387012 -0.4612988 0.0994839), wk = 0.0022676 k( 261) = ( 0.5364547 -0.4635453 0.0883262), wk = 0.0022676 k( 262) = ( 0.5342083 -0.4657917 0.0771685), wk = 0.0022676 k( 263) = ( 0.5319618 -0.4680381 0.0660107), wk = 0.0022676 k( 264) = ( 0.5297154 -0.4702846 0.0548530), wk = 0.0022676 k( 265) = ( 0.5274690 -0.4725310 0.0436952), wk = 0.0022676 k( 266) = ( 0.5252225 -0.4747775 0.0325375), wk = 0.0022676 k( 267) = ( 0.5229761 -0.4770239 0.0213798), wk = 0.0022676 k( 268) = ( 0.5207297 -0.4792703 0.0102220), wk = 0.0022676 k( 269) = ( 0.5184832 -0.4815168 -0.0009357), wk = 0.0022676 k( 270) = ( 0.5162368 -0.4837632 -0.0120935), wk = 0.0022676 k( 271) = ( 0.5162368 -0.4837632 -0.0120935), wk = 0.0022676 k( 272) = ( 0.5108245 -0.4891755 -0.0080623), wk = 0.0022676 k( 273) = ( 0.5054123 -0.4945877 -0.0040312), wk = 0.0022676 k( 274) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0022676 k( 275) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0022676 k( 276) = ( 0.4919355 -0.4919355 -0.0000000), wk = 0.0022676 k( 277) = ( 0.4838710 -0.4838710 -0.0000000), wk = 0.0022676 k( 278) = ( 0.4758064 -0.4758064 0.0000000), wk = 0.0022676 k( 279) = ( 0.4677419 -0.4677419 -0.0000000), wk = 0.0022676 k( 280) = ( 0.4596774 -0.4596774 -0.0000000), wk = 0.0022676 k( 281) = ( 0.4516129 -0.4516129 -0.0000000), wk = 0.0022676 k( 282) = ( 0.4435484 -0.4435484 -0.0000000), wk = 0.0022676 k( 283) = ( 0.4354839 -0.4354839 -0.0000000), wk = 0.0022676 k( 284) = ( 0.4274193 -0.4274193 0.0000000), wk = 0.0022676 k( 285) = ( 0.4193548 -0.4193548 -0.0000000), wk = 0.0022676 k( 286) = ( 0.4112903 -0.4112903 -0.0000000), wk = 0.0022676 k( 287) = ( 0.4032258 -0.4032258 -0.0000000), wk = 0.0022676 k( 288) = ( 0.3951613 -0.3951613 -0.0000000), wk = 0.0022676 k( 289) = ( 0.3870968 -0.3870968 -0.0000000), wk = 0.0022676 k( 290) = ( 0.3790323 -0.3790323 -0.0000000), wk = 0.0022676 k( 291) = ( 0.3709677 -0.3709677 0.0000000), wk = 0.0022676 k( 292) = ( 0.3629032 -0.3629032 -0.0000000), wk = 0.0022676 k( 293) = ( 0.3548387 -0.3548387 -0.0000000), wk = 0.0022676 k( 294) = ( 0.3467742 -0.3467742 -0.0000000), wk = 0.0022676 k( 295) = ( 0.3387097 -0.3387097 -0.0000000), wk = 0.0022676 k( 296) = ( 0.3306452 -0.3306452 -0.0000000), wk = 0.0022676 k( 297) = ( 0.3225807 -0.3225807 -0.0000000), wk = 0.0022676 k( 298) = ( 0.3145161 -0.3145161 -0.0000000), wk = 0.0022676 k( 299) = ( 0.3064516 -0.3064516 -0.0000000), wk = 0.0022676 k( 300) = ( 0.2983871 -0.2983871 -0.0000000), wk = 0.0022676 k( 301) = ( 0.2903226 -0.2903226 -0.0000000), wk = 0.0022676 k( 302) = ( 0.2822581 -0.2822581 -0.0000000), wk = 0.0022676 k( 303) = ( 0.2741936 -0.2741936 0.0000000), wk = 0.0022676 k( 304) = ( 0.2661290 -0.2661290 -0.0000000), wk = 0.0022676 k( 305) = ( 0.2580645 -0.2580645 -0.0000000), wk = 0.0022676 k( 306) = ( 0.2500000 -0.2500000 -0.0000000), wk = 0.0022676 k( 307) = ( 0.2419355 -0.2419355 -0.0000000), wk = 0.0022676 k( 308) = ( 0.2338710 -0.2338710 -0.0000000), wk = 0.0022676 k( 309) = ( 0.2258064 -0.2258064 -0.0000000), wk = 0.0022676 k( 310) = ( 0.2177419 -0.2177419 0.0000000), wk = 0.0022676 k( 311) = ( 0.2096774 -0.2096774 -0.0000000), wk = 0.0022676 k( 312) = ( 0.2016129 -0.2016129 -0.0000000), wk = 0.0022676 k( 313) = ( 0.1935484 -0.1935484 0.0000000), wk = 0.0022676 k( 314) = ( 0.1854839 -0.1854839 0.0000000), wk = 0.0022676 k( 315) = ( 0.1774194 -0.1774194 -0.0000000), wk = 0.0022676 k( 316) = ( 0.1693548 -0.1693548 -0.0000000), wk = 0.0022676 k( 317) = ( 0.1612903 -0.1612903 -0.0000000), wk = 0.0022676 k( 318) = ( 0.1532258 -0.1532258 -0.0000000), wk = 0.0022676 k( 319) = ( 0.1451613 -0.1451613 -0.0000000), wk = 0.0022676 k( 320) = ( 0.1370968 -0.1370968 -0.0000000), wk = 0.0022676 k( 321) = ( 0.1290323 -0.1290323 -0.0000000), wk = 0.0022676 k( 322) = ( 0.1209677 -0.1209677 -0.0000000), wk = 0.0022676 k( 323) = ( 0.1129032 -0.1129032 0.0000000), wk = 0.0022676 k( 324) = ( 0.1048387 -0.1048387 -0.0000000), wk = 0.0022676 k( 325) = ( 0.0967742 -0.0967742 -0.0000000), wk = 0.0022676 k( 326) = ( 0.0887097 -0.0887097 0.0000000), wk = 0.0022676 k( 327) = ( 0.0806452 -0.0806452 -0.0000000), wk = 0.0022676 k( 328) = ( 0.0725806 -0.0725806 0.0000000), wk = 0.0022676 k( 329) = ( 0.0645161 -0.0645161 -0.0000000), wk = 0.0022676 k( 330) = ( 0.0564516 -0.0564516 -0.0000000), wk = 0.0022676 k( 331) = ( 0.0483871 -0.0483871 -0.0000000), wk = 0.0022676 k( 332) = ( 0.0403226 -0.0403226 -0.0000000), wk = 0.0022676 k( 333) = ( 0.0322581 -0.0322581 0.0000000), wk = 0.0022676 k( 334) = ( 0.0241936 -0.0241936 -0.0000000), wk = 0.0022676 k( 335) = ( 0.0161290 -0.0161290 0.0000000), wk = 0.0022676 k( 336) = ( 0.0080645 -0.0080645 -0.0000000), wk = 0.0022676 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 338) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 339) = ( 0.0111111 0.0000000 -0.0000000), wk = 0.0022676 k( 340) = ( 0.0222222 0.0000000 -0.0000000), wk = 0.0022676 k( 341) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0022676 k( 342) = ( 0.0444444 0.0000000 -0.0000000), wk = 0.0022676 k( 343) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0022676 k( 344) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0022676 k( 345) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0022676 k( 346) = ( 0.0888889 -0.0000000 0.0000000), wk = 0.0022676 k( 347) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0022676 k( 348) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0022676 k( 349) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0022676 k( 350) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0022676 k( 351) = ( 0.1444444 -0.0000000 0.0000000), wk = 0.0022676 k( 352) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0022676 k( 353) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0022676 k( 354) = ( 0.1777778 -0.0000000 0.0000000), wk = 0.0022676 k( 355) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0022676 k( 356) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0022676 k( 357) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0022676 k( 358) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0022676 k( 359) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0022676 k( 360) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0022676 k( 361) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0022676 k( 362) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0022676 k( 363) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0022676 k( 364) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0022676 k( 365) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0022676 k( 366) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0022676 k( 367) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0022676 k( 368) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0022676 k( 369) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0022676 k( 370) = ( 0.3555556 -0.0000000 0.0000000), wk = 0.0022676 k( 371) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0022676 k( 372) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0022676 k( 373) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0022676 k( 374) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0022676 k( 375) = ( 0.4111111 -0.0000000 0.0000000), wk = 0.0022676 k( 376) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0022676 k( 377) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0022676 k( 378) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0022676 k( 379) = ( 0.4555556 0.0000000 -0.0000000), wk = 0.0022676 k( 380) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0022676 k( 381) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0022676 k( 382) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0022676 k( 383) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022676 k( 384) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022676 k( 385) = ( 0.4912281 0.0000000 0.4912281), wk = 0.0022676 k( 386) = ( 0.4824561 -0.0000000 0.4824561), wk = 0.0022676 k( 387) = ( 0.4736842 0.0000000 0.4736842), wk = 0.0022676 k( 388) = ( 0.4649123 -0.0000000 0.4649123), wk = 0.0022676 k( 389) = ( 0.4561404 0.0000000 0.4561404), wk = 0.0022676 k( 390) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0022676 k( 391) = ( 0.4385965 0.0000000 0.4385965), wk = 0.0022676 k( 392) = ( 0.4298246 -0.0000000 0.4298246), wk = 0.0022676 k( 393) = ( 0.4210526 0.0000000 0.4210526), wk = 0.0022676 k( 394) = ( 0.4122807 0.0000000 0.4122807), wk = 0.0022676 k( 395) = ( 0.4035088 0.0000000 0.4035088), wk = 0.0022676 k( 396) = ( 0.3947368 0.0000000 0.3947368), wk = 0.0022676 k( 397) = ( 0.3859649 0.0000000 0.3859649), wk = 0.0022676 k( 398) = ( 0.3771930 0.0000000 0.3771930), wk = 0.0022676 k( 399) = ( 0.3684211 0.0000000 0.3684211), wk = 0.0022676 k( 400) = ( 0.3596491 0.0000000 0.3596491), wk = 0.0022676 k( 401) = ( 0.3508772 0.0000000 0.3508772), wk = 0.0022676 k( 402) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0022676 k( 403) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0022676 k( 404) = ( 0.3245614 -0.0000000 0.3245614), wk = 0.0022676 k( 405) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0022676 k( 406) = ( 0.3070175 -0.0000000 0.3070175), wk = 0.0022676 k( 407) = ( 0.2982456 0.0000000 0.2982456), wk = 0.0022676 k( 408) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0022676 k( 409) = ( 0.2807018 0.0000000 0.2807018), wk = 0.0022676 k( 410) = ( 0.2719298 0.0000000 0.2719298), wk = 0.0022676 k( 411) = ( 0.2631579 -0.0000000 0.2631579), wk = 0.0022676 k( 412) = ( 0.2543860 0.0000000 0.2543860), wk = 0.0022676 k( 413) = ( 0.2456140 -0.0000000 0.2456140), wk = 0.0022676 k( 414) = ( 0.2368421 0.0000000 0.2368421), wk = 0.0022676 k( 415) = ( 0.2280702 0.0000000 0.2280702), wk = 0.0022676 k( 416) = ( 0.2192983 0.0000000 0.2192983), wk = 0.0022676 k( 417) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0022676 k( 418) = ( 0.2017544 0.0000000 0.2017544), wk = 0.0022676 k( 419) = ( 0.1929825 -0.0000000 0.1929825), wk = 0.0022676 k( 420) = ( 0.1842105 0.0000000 0.1842105), wk = 0.0022676 k( 421) = ( 0.1754386 0.0000000 0.1754386), wk = 0.0022676 k( 422) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0022676 k( 423) = ( 0.1578947 0.0000000 0.1578947), wk = 0.0022676 k( 424) = ( 0.1491228 0.0000000 0.1491228), wk = 0.0022676 k( 425) = ( 0.1403509 -0.0000000 0.1403509), wk = 0.0022676 k( 426) = ( 0.1315790 -0.0000000 0.1315790), wk = 0.0022676 k( 427) = ( 0.1228070 -0.0000000 0.1228070), wk = 0.0022676 k( 428) = ( 0.1140351 0.0000000 0.1140351), wk = 0.0022676 k( 429) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0022676 k( 430) = ( 0.0964912 -0.0000000 0.0964912), wk = 0.0022676 k( 431) = ( 0.0877193 0.0000000 0.0877193), wk = 0.0022676 k( 432) = ( 0.0789474 0.0000000 0.0789474), wk = 0.0022676 k( 433) = ( 0.0701754 -0.0000000 0.0701754), wk = 0.0022676 k( 434) = ( 0.0614035 -0.0000000 0.0614035), wk = 0.0022676 k( 435) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0022676 k( 436) = ( 0.0438597 0.0000000 0.0438597), wk = 0.0022676 k( 437) = ( 0.0350877 -0.0000000 0.0350877), wk = 0.0022676 k( 438) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0022676 k( 439) = ( 0.0175439 -0.0000000 0.0175439), wk = 0.0022676 k( 440) = ( 0.0087719 -0.0000000 0.0087719), wk = 0.0022676 k( 441) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 Dense grid: 29937 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 11811 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 74, 40) NL pseudopotentials 0.06 Mb ( 37, 112) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 625) G-vector shells 0.00 Mb ( 592) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 74, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./BC2N.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.4 secs Computing kpt #: 2 total cpu time spent up to now is 39.9 secs Computing kpt #: 3 total cpu time spent up to now is 40.4 secs Computing kpt #: 4 total cpu time spent up to now is 41.0 secs Computing kpt #: 5 total cpu time spent up to now is 41.5 secs Computing kpt #: 6 total cpu time spent up to now is 42.0 secs Computing kpt #: 7 total cpu time spent up to now is 42.5 secs Computing kpt #: 8 total cpu time spent up to now is 43.0 secs Computing kpt #: 9 total cpu time spent up to now is 43.5 secs Computing kpt #: 10 total cpu time spent up to now is 44.0 secs Computing kpt #: 11 total cpu time spent up to now is 44.5 secs Computing kpt #: 12 total cpu time spent up to now is 45.0 secs Computing kpt #: 13 total cpu time spent up to now is 45.5 secs Computing kpt #: 14 total cpu time spent up to now is 46.0 secs Computing kpt #: 15 total cpu time spent up to now is 46.5 secs Computing kpt #: 16 total cpu time spent up to now is 47.1 secs Computing kpt #: 17 total cpu time spent up to now is 47.6 secs Computing kpt #: 18 total cpu time spent up to now is 48.1 secs Computing kpt #: 19 total cpu time spent up to now is 48.6 secs Computing kpt #: 20 total cpu time spent up to now is 49.1 secs Computing kpt #: 21 total cpu time spent up to now is 49.6 secs Computing kpt #: 22 total cpu time spent up to now is 50.2 secs Computing kpt #: 23 total cpu time spent up to now is 50.8 secs Computing kpt #: 24 total cpu time spent up to now is 51.5 secs Computing kpt #: 25 total cpu time spent up to now is 52.2 secs Computing kpt #: 26 total cpu time spent up to now is 52.8 secs Computing kpt #: 27 total cpu time spent up to now is 53.5 secs Computing kpt #: 28 total cpu time spent up to now is 54.2 secs Computing kpt #: 29 total cpu time spent up to now is 55.0 secs Computing kpt #: 30 total cpu time spent up to now is 55.8 secs Computing kpt #: 31 total cpu time spent up to now is 56.6 secs Computing kpt #: 32 total cpu time spent up to now is 57.4 secs Computing kpt #: 33 total cpu time spent up to now is 58.2 secs Computing kpt #: 34 total cpu time spent up to now is 59.1 secs Computing kpt #: 35 total cpu time spent up to now is 59.9 secs Computing kpt #: 36 total cpu time spent up to now is 60.7 secs Computing kpt #: 37 total cpu time spent up to now is 61.7 secs Computing kpt #: 38 total cpu time spent up to now is 62.6 secs Computing kpt #: 39 total cpu time spent up to now is 63.5 secs Computing kpt #: 40 total cpu time spent up to now is 64.4 secs Computing kpt #: 41 total cpu time spent up to now is 65.2 secs Computing kpt #: 42 total cpu time spent up to now is 66.0 secs Computing kpt #: 43 total cpu time spent up to now is 66.8 secs Computing kpt #: 44 total cpu time spent up to now is 67.5 secs Computing kpt #: 45 total cpu time spent up to now is 68.3 secs Computing kpt #: 46 total cpu time spent up to now is 69.1 secs Computing kpt #: 47 total cpu time spent up to now is 70.0 secs Computing kpt #: 48 total cpu time spent up to now is 70.8 secs Computing kpt #: 49 total cpu time spent up to now is 71.6 secs Computing kpt #: 50 total cpu time spent up to now is 72.4 secs Computing kpt #: 51 total cpu time spent up to now is 73.2 secs Computing kpt #: 52 total cpu time spent up to now is 74.1 secs Computing kpt #: 53 total cpu time spent up to now is 75.0 secs Computing kpt #: 54 total cpu time spent up to now is 76.0 secs Computing kpt #: 55 total cpu time spent up to now is 76.9 secs Computing kpt #: 56 total cpu time spent up to now is 77.9 secs Computing kpt #: 57 total cpu time spent up to now is 78.8 secs Computing kpt #: 58 total cpu time spent up to now is 79.7 secs Computing kpt #: 59 total cpu time spent up to now is 80.6 secs Computing kpt #: 60 total cpu time spent up to now is 81.3 secs Computing kpt #: 61 total cpu time spent up to now is 82.1 secs Computing kpt #: 62 total cpu time spent up to now is 82.9 secs Computing kpt #: 63 total cpu time spent up to now is 83.6 secs Computing kpt #: 64 total cpu time spent up to now is 84.3 secs Computing kpt #: 65 total cpu time spent up to now is 85.0 secs Computing kpt #: 66 total cpu time spent up to now is 85.8 secs Computing kpt #: 67 total cpu time spent up to now is 86.4 secs Computing kpt #: 68 total cpu time spent up to now is 87.2 secs Computing kpt #: 69 total cpu time spent up to now is 88.0 secs Computing kpt #: 70 total cpu time spent up to now is 88.7 secs Computing kpt #: 71 total cpu time spent up to now is 89.5 secs Computing kpt #: 72 total cpu time spent up to now is 90.2 secs Computing kpt #: 73 total cpu time spent up to now is 91.1 secs Computing kpt #: 74 total cpu time spent up to now is 92.0 secs Computing kpt #: 75 total cpu time spent up to now is 93.0 secs Computing kpt #: 76 total cpu time spent up to now is 94.0 secs Computing kpt #: 77 total cpu time spent up to now is 95.0 secs Computing kpt #: 78 total cpu time spent up to now is 96.5 secs Computing kpt #: 79 total cpu time spent up to now is 97.9 secs Computing kpt #: 80 total cpu time spent up to now is 98.9 secs Computing kpt #: 81 total cpu time spent up to now is 99.8 secs Computing kpt #: 82 total cpu time spent up to now is 100.8 secs Computing kpt #: 83 total cpu time spent up to now is 101.6 secs Computing kpt #: 84 total cpu time spent up to now is 102.5 secs Computing kpt #: 85 total cpu time spent up to now is 103.3 secs Computing kpt #: 86 total cpu time spent up to now is 104.0 secs Computing kpt #: 87 total cpu time spent up to now is 104.9 secs Computing kpt #: 88 total cpu time spent up to now is 105.7 secs Computing kpt #: 89 total cpu time spent up to now is 106.6 secs Computing kpt #: 90 total cpu time spent up to now is 107.4 secs Computing kpt #: 91 total cpu time spent up to now is 108.1 secs Computing kpt #: 92 total cpu time spent up to now is 109.0 secs Computing kpt #: 93 total cpu time spent up to now is 109.7 secs Computing kpt #: 94 total cpu time spent up to now is 110.6 secs Computing kpt #: 95 total cpu time spent up to now is 111.4 secs Computing kpt #: 96 total cpu time spent up to now is 112.1 secs Computing kpt #: 97 total cpu time spent up to now is 113.0 secs Computing kpt #: 98 total cpu time spent up to now is 113.8 secs Computing kpt #: 99 total cpu time spent up to now is 114.6 secs Computing kpt #: 100 total cpu time spent up to now is 115.5 secs Computing kpt #: 101 total cpu time spent up to now is 116.5 secs Computing kpt #: 102 total cpu time spent up to now is 117.3 secs Computing kpt #: 103 total cpu time spent up to now is 118.2 secs Computing kpt #: 104 total cpu time spent up to now is 119.0 secs Computing kpt #: 105 total cpu time spent up to now is 119.9 secs Computing kpt #: 106 total cpu time spent up to now is 120.9 secs Computing kpt #: 107 total cpu time spent up to now is 121.9 secs Computing kpt #: 108 total cpu time spent up to now is 122.8 secs Computing kpt #: 109 total cpu time spent up to now is 123.7 secs Computing kpt #: 110 total cpu time spent up to now is 124.8 secs Computing kpt #: 111 total cpu time spent up to now is 125.9 secs Computing kpt #: 112 total cpu time spent up to now is 126.9 secs Computing kpt #: 113 total cpu time spent up to now is 127.9 secs Computing kpt #: 114 total cpu time spent up to now is 128.9 secs Computing kpt #: 115 total cpu time spent up to now is 129.8 secs Computing kpt #: 116 total cpu time spent up to now is 130.8 secs Computing kpt #: 117 total cpu time spent up to now is 131.7 secs Computing kpt #: 118 total cpu time spent up to now is 132.6 secs Computing kpt #: 119 total cpu time spent up to now is 133.5 secs Computing kpt #: 120 total cpu time spent up to now is 134.4 secs Computing kpt #: 121 total cpu time spent up to now is 135.3 secs Computing kpt #: 122 total cpu time spent up to now is 136.1 secs Computing kpt #: 123 total cpu time spent up to now is 136.9 secs Computing kpt #: 124 total cpu time spent up to now is 137.6 secs Computing kpt #: 125 total cpu time spent up to now is 138.4 secs Computing kpt #: 126 total cpu time spent up to now is 139.1 secs Computing kpt #: 127 total cpu time spent up to now is 139.9 secs Computing kpt #: 128 total cpu time spent up to now is 140.7 secs Computing kpt #: 129 total cpu time spent up to now is 141.4 secs Computing kpt #: 130 total cpu time spent up to now is 142.1 secs Computing kpt #: 131 total cpu time spent up to now is 142.7 secs Computing kpt #: 132 total cpu time spent up to now is 143.4 secs Computing kpt #: 133 total cpu time spent up to now is 144.2 secs Computing kpt #: 134 total cpu time spent up to now is 144.8 secs Computing kpt #: 135 total cpu time spent up to now is 145.4 secs Computing kpt #: 136 total cpu time spent up to now is 146.0 secs Computing kpt #: 137 total cpu time spent up to now is 146.6 secs Computing kpt #: 138 total cpu time spent up to now is 147.2 secs Computing kpt #: 139 total cpu time spent up to now is 147.8 secs Computing kpt #: 140 total cpu time spent up to now is 148.3 secs Computing kpt #: 141 total cpu time spent up to now is 148.9 secs Computing kpt #: 142 total cpu time spent up to now is 149.4 secs Computing kpt #: 143 total cpu time spent up to now is 149.9 secs Computing kpt #: 144 total cpu time spent up to now is 150.4 secs Computing kpt #: 145 total cpu time spent up to now is 150.9 secs Computing kpt #: 146 total cpu time spent up to now is 151.5 secs Computing kpt #: 147 total cpu time spent up to now is 152.0 secs Computing kpt #: 148 total cpu time spent up to now is 152.6 secs Computing kpt #: 149 total cpu time spent up to now is 153.1 secs Computing kpt #: 150 total cpu time spent up to now is 153.7 secs Computing kpt #: 151 total cpu time spent up to now is 154.2 secs Computing kpt #: 152 total cpu time spent up to now is 154.7 secs Computing kpt #: 153 total cpu time spent up to now is 155.2 secs Computing kpt #: 154 total cpu time spent up to now is 155.8 secs Computing kpt #: 155 total cpu time spent up to now is 156.3 secs Computing kpt #: 156 total cpu time spent up to now is 156.9 secs Computing kpt #: 157 total cpu time spent up to now is 157.5 secs Computing kpt #: 158 total cpu time spent up to now is 158.2 secs Computing kpt #: 159 total cpu time spent up to now is 158.8 secs Computing kpt #: 160 total cpu time spent up to now is 159.5 secs Computing kpt #: 161 total cpu time spent up to now is 160.1 secs Computing kpt #: 162 total cpu time spent up to now is 160.8 secs Computing kpt #: 163 total cpu time spent up to now is 161.5 secs Computing kpt #: 164 total cpu time spent up to now is 162.1 secs Computing kpt #: 165 total cpu time spent up to now is 162.8 secs Computing kpt #: 166 total cpu time spent up to now is 163.7 secs Computing kpt #: 167 total cpu time spent up to now is 164.5 secs Computing kpt #: 168 total cpu time spent up to now is 165.2 secs Computing kpt #: 169 total cpu time spent up to now is 166.0 secs Computing kpt #: 170 total cpu time spent up to now is 166.6 secs Computing kpt #: 171 total cpu time spent up to now is 167.4 secs Computing kpt #: 172 total cpu time spent up to now is 168.0 secs Computing kpt #: 173 total cpu time spent up to now is 168.6 secs Computing kpt #: 174 total cpu time spent up to now is 169.3 secs Computing kpt #: 175 total cpu time spent up to now is 170.0 secs Computing kpt #: 176 total cpu time spent up to now is 170.6 secs Computing kpt #: 177 total cpu time spent up to now is 171.2 secs Computing kpt #: 178 total cpu time spent up to now is 171.9 secs Computing kpt #: 179 total cpu time spent up to now is 172.4 secs Computing kpt #: 180 total cpu time spent up to now is 173.0 secs Computing kpt #: 181 total cpu time spent up to now is 173.6 secs Computing kpt #: 182 total cpu time spent up to now is 174.2 secs Computing kpt #: 183 total cpu time spent up to now is 174.9 secs Computing kpt #: 184 total cpu time spent up to now is 175.6 secs Computing kpt #: 185 total cpu time spent up to now is 176.4 secs Computing kpt #: 186 total cpu time spent up to now is 177.3 secs Computing kpt #: 187 total cpu time spent up to now is 178.2 secs Computing kpt #: 188 total cpu time spent up to now is 179.1 secs Computing kpt #: 189 total cpu time spent up to now is 179.9 secs Computing kpt #: 190 total cpu time spent up to now is 180.7 secs Computing kpt #: 191 total cpu time spent up to now is 181.5 secs Computing kpt #: 192 total cpu time spent up to now is 182.2 secs Computing kpt #: 193 total cpu time spent up to now is 183.0 secs Computing kpt #: 194 total cpu time spent up to now is 183.7 secs Computing kpt #: 195 total cpu time spent up to now is 184.4 secs Computing kpt #: 196 total cpu time spent up to now is 185.1 secs Computing kpt #: 197 total cpu time spent up to now is 185.8 secs Computing kpt #: 198 total cpu time spent up to now is 186.5 secs Computing kpt #: 199 total cpu time spent up to now is 187.2 secs Computing kpt #: 200 total cpu time spent up to now is 187.9 secs Computing kpt #: 201 total cpu time spent up to now is 188.6 secs Computing kpt #: 202 total cpu time spent up to now is 189.3 secs Computing kpt #: 203 total cpu time spent up to now is 190.0 secs Computing kpt #: 204 total cpu time spent up to now is 190.7 secs Computing kpt #: 205 total cpu time spent up to now is 191.3 secs Computing kpt #: 206 total cpu time spent up to now is 192.0 secs Computing kpt #: 207 total cpu time spent up to now is 192.6 secs Computing kpt #: 208 total cpu time spent up to now is 193.3 secs Computing kpt #: 209 total cpu time spent up to now is 194.1 secs Computing kpt #: 210 total cpu time spent up to now is 194.8 secs Computing kpt #: 211 total cpu time spent up to now is 195.5 secs Computing kpt #: 212 total cpu time spent up to now is 196.4 secs Computing kpt #: 213 total cpu time spent up to now is 197.3 secs Computing kpt #: 214 total cpu time spent up to now is 198.0 secs Computing kpt #: 215 total cpu time spent up to now is 198.7 secs Computing kpt #: 216 total cpu time spent up to now is 199.3 secs Computing kpt #: 217 total cpu time spent up to now is 200.1 secs Computing kpt #: 218 total cpu time spent up to now is 200.7 secs Computing kpt #: 219 total cpu time spent up to now is 201.5 secs Computing kpt #: 220 total cpu time spent up to now is 202.2 secs Computing kpt #: 221 total cpu time spent up to now is 202.9 secs Computing kpt #: 222 total cpu time spent up to now is 203.6 secs Computing kpt #: 223 total cpu time spent up to now is 204.4 secs Computing kpt #: 224 total cpu time spent up to now is 205.2 secs Computing kpt #: 225 total cpu time spent up to now is 206.0 secs Computing kpt #: 226 total cpu time spent up to now is 206.9 secs Computing kpt #: 227 total cpu time spent up to now is 207.9 secs Computing kpt #: 228 total cpu time spent up to now is 209.1 secs Computing kpt #: 229 total cpu time spent up to now is 210.0 secs Computing kpt #: 230 total cpu time spent up to now is 210.8 secs Computing kpt #: 231 total cpu time spent up to now is 211.6 secs Computing kpt #: 232 total cpu time spent up to now is 212.4 secs Computing kpt #: 233 total cpu time spent up to now is 213.3 secs Computing kpt #: 234 total cpu time spent up to now is 214.0 secs Computing kpt #: 235 total cpu time spent up to now is 214.8 secs Computing kpt #: 236 total cpu time spent up to now is 215.5 secs Computing kpt #: 237 total cpu time spent up to now is 216.3 secs Computing kpt #: 238 total cpu time spent up to now is 217.0 secs Computing kpt #: 239 total cpu time spent up to now is 217.9 secs Computing kpt #: 240 total cpu time spent up to now is 218.7 secs Computing kpt #: 241 total cpu time spent up to now is 219.5 secs Computing kpt #: 242 total cpu time spent up to now is 220.3 secs Computing kpt #: 243 total cpu time spent up to now is 221.1 secs Computing kpt #: 244 total cpu time spent up to now is 221.9 secs Computing kpt #: 245 total cpu time spent up to now is 222.6 secs Computing kpt #: 246 total cpu time spent up to now is 223.5 secs Computing kpt #: 247 total cpu time spent up to now is 224.3 secs Computing kpt #: 248 total cpu time spent up to now is 225.1 secs Computing kpt #: 249 total cpu time spent up to now is 226.0 secs Computing kpt #: 250 total cpu time spent up to now is 226.9 secs Computing kpt #: 251 total cpu time spent up to now is 227.8 secs Computing kpt #: 252 total cpu time spent up to now is 228.7 secs Computing kpt #: 253 total cpu time spent up to now is 229.7 secs Computing kpt #: 254 total cpu time spent up to now is 231.0 secs Computing kpt #: 255 total cpu time spent up to now is 232.0 secs Computing kpt #: 256 total cpu time spent up to now is 233.0 secs Computing kpt #: 257 total cpu time spent up to now is 233.9 secs Computing kpt #: 258 total cpu time spent up to now is 234.7 secs Computing kpt #: 259 total cpu time spent up to now is 235.5 secs Computing kpt #: 260 total cpu time spent up to now is 236.4 secs Computing kpt #: 261 total cpu time spent up to now is 237.2 secs Computing kpt #: 262 total cpu time spent up to now is 238.0 secs Computing kpt #: 263 total cpu time spent up to now is 238.7 secs Computing kpt #: 264 total cpu time spent up to now is 239.4 secs Computing kpt #: 265 total cpu time spent up to now is 240.2 secs Computing kpt #: 266 total cpu time spent up to now is 240.9 secs Computing kpt #: 267 total cpu time spent up to now is 241.7 secs Computing kpt #: 268 total cpu time spent up to now is 242.4 secs Computing kpt #: 269 total cpu time spent up to now is 243.1 secs Computing kpt #: 270 total cpu time spent up to now is 243.8 secs Computing kpt #: 271 total cpu time spent up to now is 244.5 secs Computing kpt #: 272 total cpu time spent up to now is 245.2 secs Computing kpt #: 273 total cpu time spent up to now is 246.0 secs Computing kpt #: 274 total cpu time spent up to now is 246.7 secs Computing kpt #: 275 total cpu time spent up to now is 247.4 secs Computing kpt #: 276 total cpu time spent up to now is 248.1 secs Computing kpt #: 277 total cpu time spent up to now is 248.8 secs Computing kpt #: 278 total cpu time spent up to now is 249.6 secs Computing kpt #: 279 total cpu time spent up to now is 250.3 secs Computing kpt #: 280 total cpu time spent up to now is 251.0 secs Computing kpt #: 281 total cpu time spent up to now is 251.8 secs Computing kpt #: 282 total cpu time spent up to now is 252.5 secs Computing kpt #: 283 total cpu time spent up to now is 253.2 secs Computing kpt #: 284 total cpu time spent up to now is 254.0 secs Computing kpt #: 285 total cpu time spent up to now is 254.8 secs Computing kpt #: 286 total cpu time spent up to now is 255.7 secs Computing kpt #: 287 total cpu time spent up to now is 256.6 secs Computing kpt #: 288 total cpu time spent up to now is 257.4 secs Computing kpt #: 289 total cpu time spent up to now is 258.5 secs Computing kpt #: 290 total cpu time spent up to now is 259.9 secs Computing kpt #: 291 total cpu time spent up to now is 261.3 secs Computing kpt #: 292 total cpu time spent up to now is 262.5 secs Computing kpt #: 293 total cpu time spent up to now is 263.8 secs Computing kpt #: 294 total cpu time spent up to now is 264.9 secs Computing kpt #: 295 total cpu time spent up to now is 265.7 secs Computing kpt #: 296 total cpu time spent up to now is 266.5 secs Computing kpt #: 297 total cpu time spent up to now is 267.4 secs Computing kpt #: 298 total cpu time spent up to now is 268.3 secs Computing kpt #: 299 total cpu time spent up to now is 269.0 secs Computing kpt #: 300 total cpu time spent up to now is 269.8 secs Computing kpt #: 301 total cpu time spent up to now is 270.6 secs Computing kpt #: 302 total cpu time spent up to now is 271.5 secs Computing kpt #: 303 total cpu time spent up to now is 272.2 secs Computing kpt #: 304 total cpu time spent up to now is 273.1 secs Computing kpt #: 305 total cpu time spent up to now is 274.0 secs Computing kpt #: 306 total cpu time spent up to now is 274.9 secs Computing kpt #: 307 total cpu time spent up to now is 275.8 secs Computing kpt #: 308 total cpu time spent up to now is 276.7 secs Computing kpt #: 309 total cpu time spent up to now is 277.7 secs Computing kpt #: 310 total cpu time spent up to now is 278.6 secs Computing kpt #: 311 total cpu time spent up to now is 279.4 secs Computing kpt #: 312 total cpu time spent up to now is 280.1 secs Computing kpt #: 313 total cpu time spent up to now is 280.9 secs Computing kpt #: 314 total cpu time spent up to now is 281.6 secs Computing kpt #: 315 total cpu time spent up to now is 282.3 secs Computing kpt #: 316 total cpu time spent up to now is 282.9 secs Computing kpt #: 317 total cpu time spent up to now is 283.6 secs Computing kpt #: 318 total cpu time spent up to now is 284.3 secs Computing kpt #: 319 total cpu time spent up to now is 285.2 secs Computing kpt #: 320 total cpu time spent up to now is 285.8 secs Computing kpt #: 321 total cpu time spent up to now is 286.4 secs Computing kpt #: 322 total cpu time spent up to now is 287.0 secs Computing kpt #: 323 total cpu time spent up to now is 287.6 secs Computing kpt #: 324 total cpu time spent up to now is 288.2 secs Computing kpt #: 325 total cpu time spent up to now is 288.8 secs Computing kpt #: 326 total cpu time spent up to now is 289.5 secs Computing kpt #: 327 total cpu time spent up to now is 290.1 secs Computing kpt #: 328 total cpu time spent up to now is 290.7 secs Computing kpt #: 329 total cpu time spent up to now is 291.3 secs Computing kpt #: 330 total cpu time spent up to now is 291.9 secs Computing kpt #: 331 total cpu time spent up to now is 292.5 secs Computing kpt #: 332 total cpu time spent up to now is 293.1 secs Computing kpt #: 333 total cpu time spent up to now is 293.6 secs Computing kpt #: 334 total cpu time spent up to now is 294.1 secs Computing kpt #: 335 total cpu time spent up to now is 294.6 secs Computing kpt #: 336 total cpu time spent up to now is 295.1 secs Computing kpt #: 337 total cpu time spent up to now is 295.6 secs Computing kpt #: 338 total cpu time spent up to now is 296.1 secs Computing kpt #: 339 total cpu time spent up to now is 296.6 secs Computing kpt #: 340 total cpu time spent up to now is 297.2 secs Computing kpt #: 341 total cpu time spent up to now is 297.7 secs Computing kpt #: 342 total cpu time spent up to now is 298.3 secs Computing kpt #: 343 total cpu time spent up to now is 298.8 secs Computing kpt #: 344 total cpu time spent up to now is 299.3 secs Computing kpt #: 345 total cpu time spent up to now is 299.9 secs Computing kpt #: 346 total cpu time spent up to now is 300.5 secs Computing kpt #: 347 total cpu time spent up to now is 301.0 secs Computing kpt #: 348 total cpu time spent up to now is 301.7 secs Computing kpt #: 349 total cpu time spent up to now is 302.5 secs Computing kpt #: 350 total cpu time spent up to now is 303.1 secs Computing kpt #: 351 total cpu time spent up to now is 303.8 secs Computing kpt #: 352 total cpu time spent up to now is 304.4 secs Computing kpt #: 353 total cpu time spent up to now is 305.0 secs Computing kpt #: 354 total cpu time spent up to now is 305.7 secs Computing kpt #: 355 total cpu time spent up to now is 306.3 secs Computing kpt #: 356 total cpu time spent up to now is 306.9 secs Computing kpt #: 357 total cpu time spent up to now is 307.5 secs Computing kpt #: 358 total cpu time spent up to now is 308.1 secs Computing kpt #: 359 total cpu time spent up to now is 308.8 secs Computing kpt #: 360 total cpu time spent up to now is 309.4 secs Computing kpt #: 361 total cpu time spent up to now is 310.1 secs Computing kpt #: 362 total cpu time spent up to now is 310.7 secs Computing kpt #: 363 total cpu time spent up to now is 311.4 secs Computing kpt #: 364 total cpu time spent up to now is 312.0 secs Computing kpt #: 365 total cpu time spent up to now is 312.7 secs Computing kpt #: 366 total cpu time spent up to now is 313.4 secs Computing kpt #: 367 total cpu time spent up to now is 314.1 secs Computing kpt #: 368 total cpu time spent up to now is 314.9 secs Computing kpt #: 369 total cpu time spent up to now is 315.6 secs Computing kpt #: 370 total cpu time spent up to now is 316.3 secs Computing kpt #: 371 total cpu time spent up to now is 317.0 secs Computing kpt #: 372 total cpu time spent up to now is 317.7 secs Computing kpt #: 373 total cpu time spent up to now is 318.4 secs Computing kpt #: 374 total cpu time spent up to now is 319.1 secs Computing kpt #: 375 total cpu time spent up to now is 319.9 secs Computing kpt #: 376 total cpu time spent up to now is 320.6 secs Computing kpt #: 377 total cpu time spent up to now is 321.3 secs Computing kpt #: 378 total cpu time spent up to now is 322.0 secs Computing kpt #: 379 total cpu time spent up to now is 322.6 secs Computing kpt #: 380 total cpu time spent up to now is 323.3 secs Computing kpt #: 381 total cpu time spent up to now is 323.9 secs Computing kpt #: 382 total cpu time spent up to now is 324.5 secs Computing kpt #: 383 total cpu time spent up to now is 325.1 secs Computing kpt #: 384 total cpu time spent up to now is 326.1 secs Computing kpt #: 385 total cpu time spent up to now is 327.4 secs Computing kpt #: 386 total cpu time spent up to now is 328.5 secs Computing kpt #: 387 total cpu time spent up to now is 329.7 secs Computing kpt #: 388 total cpu time spent up to now is 330.8 secs Computing kpt #: 389 total cpu time spent up to now is 332.0 secs Computing kpt #: 390 total cpu time spent up to now is 333.1 secs Computing kpt #: 391 total cpu time spent up to now is 334.1 secs Computing kpt #: 392 total cpu time spent up to now is 335.1 secs Computing kpt #: 393 total cpu time spent up to now is 336.0 secs Computing kpt #: 394 total cpu time spent up to now is 336.9 secs Computing kpt #: 395 total cpu time spent up to now is 337.6 secs Computing kpt #: 396 total cpu time spent up to now is 338.5 secs Computing kpt #: 397 total cpu time spent up to now is 339.3 secs Computing kpt #: 398 total cpu time spent up to now is 340.1 secs Computing kpt #: 399 total cpu time spent up to now is 340.9 secs Computing kpt #: 400 total cpu time spent up to now is 341.7 secs Computing kpt #: 401 total cpu time spent up to now is 342.5 secs Computing kpt #: 402 total cpu time spent up to now is 343.2 secs Computing kpt #: 403 total cpu time spent up to now is 344.0 secs Computing kpt #: 404 total cpu time spent up to now is 344.8 secs Computing kpt #: 405 total cpu time spent up to now is 345.6 secs Computing kpt #: 406 total cpu time spent up to now is 346.3 secs Computing kpt #: 407 total cpu time spent up to now is 346.9 secs Computing kpt #: 408 total cpu time spent up to now is 347.6 secs Computing kpt #: 409 total cpu time spent up to now is 348.2 secs Computing kpt #: 410 total cpu time spent up to now is 348.9 secs Computing kpt #: 411 total cpu time spent up to now is 349.5 secs Computing kpt #: 412 total cpu time spent up to now is 350.3 secs Computing kpt #: 413 total cpu time spent up to now is 351.0 secs Computing kpt #: 414 total cpu time spent up to now is 351.7 secs Computing kpt #: 415 total cpu time spent up to now is 352.4 secs Computing kpt #: 416 total cpu time spent up to now is 353.0 secs Computing kpt #: 417 total cpu time spent up to now is 353.7 secs Computing kpt #: 418 total cpu time spent up to now is 354.3 secs Computing kpt #: 419 total cpu time spent up to now is 354.9 secs Computing kpt #: 420 total cpu time spent up to now is 355.5 secs Computing kpt #: 421 total cpu time spent up to now is 356.1 secs Computing kpt #: 422 total cpu time spent up to now is 356.8 secs Computing kpt #: 423 total cpu time spent up to now is 357.4 secs Computing kpt #: 424 total cpu time spent up to now is 358.0 secs Computing kpt #: 425 total cpu time spent up to now is 358.6 secs Computing kpt #: 426 total cpu time spent up to now is 359.1 secs Computing kpt #: 427 total cpu time spent up to now is 359.7 secs Computing kpt #: 428 total cpu time spent up to now is 360.2 secs Computing kpt #: 429 total cpu time spent up to now is 360.7 secs Computing kpt #: 430 total cpu time spent up to now is 361.3 secs Computing kpt #: 431 total cpu time spent up to now is 361.8 secs Computing kpt #: 432 total cpu time spent up to now is 362.4 secs Computing kpt #: 433 total cpu time spent up to now is 363.0 secs Computing kpt #: 434 total cpu time spent up to now is 363.6 secs Computing kpt #: 435 total cpu time spent up to now is 364.1 secs Computing kpt #: 436 total cpu time spent up to now is 364.6 secs Computing kpt #: 437 total cpu time spent up to now is 365.1 secs Computing kpt #: 438 total cpu time spent up to now is 365.6 secs Computing kpt #: 439 total cpu time spent up to now is 366.1 secs Computing kpt #: 440 total cpu time spent up to now is 366.6 secs Computing kpt #: 441 total cpu time spent up to now is 367.1 secs ethr = 3.13E-11, avg # of iterations = 32.1 total cpu time spent up to now is 367.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1461 PWs) bands (ev): -9.4741 -9.4741 -3.8402 -3.8402 -1.5155 -1.5155 -1.0771 -1.0771 1.1106 1.1106 2.4283 2.4283 2.6915 2.6915 4.6461 4.6461 5.3325 5.3325 5.8743 5.8743 9.4823 9.4823 9.6191 9.6191 10.1342 10.1342 11.6813 11.6813 11.8586 11.8586 14.0637 14.0637 14.1345 14.1345 14.7861 14.7861 15.2557 15.2557 16.7201 16.7201 k = 0.0077 0.0077-0.0030 ( 1461 PWs) bands (ev): -9.4733 -9.4733 -3.8414 -3.8414 -1.5159 -1.5159 -1.0824 -1.0824 1.1162 1.1162 2.4272 2.4272 2.6954 2.6954 4.6465 4.6465 5.3339 5.3339 5.8750 5.8750 9.4748 9.4748 9.6188 9.6188 10.1327 10.1327 11.6431 11.6431 11.8921 11.8921 14.0612 14.0612 14.1251 14.1251 14.7892 14.7892 15.2733 15.2733 16.7219 16.7219 k = 0.0154 0.0153-0.0060 ( 1457 PWs) bands (ev): -9.4707 -9.4707 -3.8449 -3.8449 -1.5171 -1.5171 -1.0982 -1.0982 1.1327 1.1327 2.4243 2.4243 2.7070 2.7070 4.6474 4.6474 5.3383 5.3383 5.8769 5.8769 9.4529 9.4529 9.6174 9.6174 10.1282 10.1282 11.5646 11.5646 11.9567 11.9567 14.0537 14.0537 14.0989 14.0989 14.7984 14.7984 15.3240 15.3240 16.7271 16.7271 k = 0.0230 0.0230-0.0090 ( 1451 PWs) bands (ev): -9.4664 -9.4664 -3.8507 -3.8507 -1.5190 -1.5190 -1.1239 -1.1239 1.1597 1.1597 2.4203 2.4203 2.7253 2.7253 4.6490 4.6490 5.3457 5.3457 5.8800 5.8800 9.4181 9.4181 9.6137 9.6137 10.1207 10.1207 11.4722 11.4722 12.0258 12.0258 14.0411 14.0411 14.0607 14.0607 14.8134 14.8134 15.4030 15.4030 16.7359 16.7359 k = 0.0307 0.0306-0.0121 ( 1453 PWs) bands (ev): -9.4604 -9.4604 -3.8588 -3.8588 -1.5217 -1.5217 -1.1587 -1.1587 1.1963 1.1963 2.4161 2.4161 2.7494 2.7494 4.6512 4.6512 5.3560 5.3560 5.8845 5.8845 9.3720 9.3720 9.6067 9.6067 10.1103 10.1103 11.3723 11.3723 12.0931 12.0931 14.0127 14.0127 14.0270 14.0270 14.8338 14.8338 15.5047 15.5047 16.7481 16.7481 k = 0.0384 0.0383-0.0151 ( 1457 PWs) bands (ev): -9.4527 -9.4527 -3.8691 -3.8691 -1.5252 -1.5252 -1.2019 -1.2019 1.2414 1.2414 2.4124 2.4124 2.7783 2.7783 4.6540 4.6540 5.3693 5.3693 5.8901 5.8901 9.3156 9.3156 9.5959 9.5959 10.0969 10.0969 11.2667 11.2667 12.1569 12.1569 13.9653 13.9653 14.0061 14.0061 14.8593 14.8593 15.6241 15.6241 16.7639 16.7639 k = 0.0461 0.0459-0.0181 ( 1459 PWs) bands (ev): -9.4433 -9.4433 -3.8817 -3.8817 -1.5294 -1.5294 -1.2522 -1.2522 1.2941 1.2941 2.4099 2.4099 2.8115 2.8115 4.6573 4.6573 5.3856 5.3856 5.8970 5.8970 9.2497 9.2497 9.5813 9.5813 10.0808 10.0808 11.1566 11.1566 12.2161 12.2161 13.9181 13.9181 13.9824 13.9824 14.8893 14.8893 15.7573 15.7573 16.7831 16.7831 k = 0.0538 0.0536-0.0211 ( 1459 PWs) bands (ev): -9.4322 -9.4322 -3.8963 -3.8963 -1.5342 -1.5342 -1.3086 -1.3086 1.3532 1.3532 2.4090 2.4090 2.8481 2.8481 4.6612 4.6612 5.4051 5.4051 5.9052 5.9052 9.1752 9.1752 9.5629 9.5629 10.0619 10.0619 11.0425 11.0425 12.2701 12.2701 13.8744 13.8744 13.9559 13.9559 14.9236 14.9236 15.9014 15.9014 16.8060 16.8060 k = 0.0614 0.0612-0.0241 ( 1463 PWs) bands (ev): -9.4194 -9.4194 -3.9131 -3.9131 -1.5396 -1.5396 -1.3702 -1.3702 1.4177 1.4177 2.4100 2.4100 2.8876 2.8876 4.6656 4.6656 5.4278 5.4278 5.9145 5.9145 9.0929 9.0929 9.5410 9.5410 10.0403 10.0403 10.9252 10.9252 12.3182 12.3182 13.8359 13.8359 13.9268 13.9268 14.9618 14.9618 16.0538 16.0538 16.8325 16.8325 k = 0.0691 0.0689-0.0271 ( 1465 PWs) bands (ev): -9.4049 -9.4049 -3.9319 -3.9319 -1.5457 -1.5457 -1.4362 -1.4362 1.4866 1.4866 2.4131 2.4131 2.9297 2.9297 4.6705 4.6705 5.4537 5.4537 5.9251 5.9251 9.0036 9.0036 9.5158 9.5158 10.0162 10.0162 10.8051 10.8051 12.3598 12.3598 13.8042 13.8042 13.8954 13.8954 15.0037 15.0037 16.2127 16.2127 16.8629 16.8629 k = 0.0768 0.0765-0.0301 ( 1456 PWs) bands (ev): -9.3888 -9.3888 -3.9526 -3.9526 -1.5523 -1.5523 -1.5055 -1.5055 1.5589 1.5589 2.4186 2.4186 2.9738 2.9738 4.6759 4.6759 5.4829 5.4829 5.9370 5.9370 8.9081 8.9081 9.4875 9.4875 9.9898 9.9898 10.6830 10.6830 12.3943 12.3943 13.7803 13.7803 13.8620 13.8620 15.0490 15.0490 16.3760 16.3760 16.8978 16.8978 k = 0.0845 0.0842-0.0332 ( 1464 PWs) bands (ev): -9.3710 -9.3710 -3.9752 -3.9752 -1.5777 -1.5777 -1.5595 -1.5595 1.6339 1.6339 2.4263 2.4263 3.0196 3.0196 4.6814 4.6814 5.5153 5.5153 5.9500 5.9500 8.8071 8.8071 9.4562 9.4562 9.9611 9.9611 10.5594 10.5594 12.4208 12.4208 13.7648 13.7648 13.8267 13.8267 15.0975 15.0975 16.5414 16.5414 16.9383 16.9383 k = 0.0921 0.0918-0.0362 ( 1466 PWs) bands (ev): -9.3516 -9.3516 -3.9995 -3.9995 -1.6520 -1.6520 -1.5671 -1.5671 1.7108 1.7108 2.4363 2.4363 3.0669 3.0669 4.6871 4.6871 5.5511 5.5511 5.9643 5.9643 8.7017 8.7017 9.4222 9.4222 9.9303 9.9303 10.4351 10.4351 12.4390 12.4390 13.7585 13.7585 13.7897 13.7897 15.1492 15.1492 16.7039 16.7039 16.9884 16.9884 k = 0.0998 0.0995-0.0392 ( 1466 PWs) bands (ev): -9.3305 -9.3305 -4.0255 -4.0255 -1.7280 -1.7280 -1.5751 -1.5751 1.7890 1.7890 2.4485 2.4485 3.1152 3.1152 4.6929 4.6929 5.5903 5.5903 5.9800 5.9800 8.5925 8.5925 9.3857 9.3857 9.8977 9.8977 10.3105 10.3105 12.4486 12.4486 13.7500 13.7500 13.7625 13.7625 15.2039 15.2039 16.8515 16.8515 17.0592 17.0592 k = 0.1075 0.1071-0.0422 ( 1468 PWs) bands (ev): -9.3078 -9.3078 -4.0531 -4.0531 -1.8052 -1.8052 -1.5835 -1.5835 1.8680 1.8680 2.4630 2.4630 3.1643 3.1643 4.6986 4.6986 5.6326 5.6326 5.9971 5.9971 8.4804 8.4804 9.3469 9.3469 9.8633 9.8633 10.1866 10.1866 12.4494 12.4494 13.7103 13.7103 13.7744 13.7744 15.2615 15.2615 16.9615 16.9615 17.1726 17.1726 k = 0.1152 0.1148-0.0452 ( 1468 PWs) bands (ev): -9.2835 -9.2835 -4.0821 -4.0821 -1.8832 -1.8832 -1.5923 -1.5923 1.9471 1.9471 2.4795 2.4795 3.2140 3.2140 4.7040 4.7040 5.6780 5.6780 6.0159 6.0159 8.3660 8.3660 9.3058 9.3058 9.8273 9.8273 10.0639 10.0639 12.4417 12.4417 13.6686 13.6686 13.7956 13.7956 15.3220 15.3220 17.0353 17.0353 17.3264 17.3264 k = 0.1229 0.1225-0.0482 ( 1466 PWs) bands (ev): -9.2576 -9.2576 -4.1125 -4.1125 -1.9616 -1.9616 -1.6014 -1.6014 2.0261 2.0261 2.4980 2.4980 3.2639 3.2639 4.7089 4.7089 5.7261 5.7261 6.0367 6.0367 8.2503 8.2503 9.2627 9.2627 9.7901 9.7901 9.9432 9.9432 12.4262 12.4262 13.6255 13.6255 13.8251 13.8251 15.3854 15.3854 17.0946 17.0946 17.4982 17.4982 k = 0.1305 0.1301-0.0512 ( 1468 PWs) bands (ev): -9.2301 -9.2301 -4.1442 -4.1442 -2.0403 -2.0403 -1.6107 -1.6107 2.1045 2.1045 2.5183 2.5183 3.3137 3.3137 4.7130 4.7130 5.7763 5.7763 6.0601 6.0601 8.1337 8.1337 9.2173 9.2173 9.7518 9.7518 9.8255 9.8255 12.4032 12.4032 13.5810 13.5810 13.8620 13.8620 15.4515 15.4515 17.1498 17.1498 17.6767 17.6767 k = 0.1382 0.1378-0.0543 ( 1470 PWs) bands (ev): -9.2012 -9.2012 -4.1770 -4.1770 -2.1189 -2.1189 -1.6204 -1.6204 2.1820 2.1820 2.5403 2.5403 3.3631 3.3631 4.7162 4.7162 5.8276 5.8276 6.0870 6.0870 8.0170 8.0170 9.1696 9.1696 9.7113 9.7113 9.7132 9.7132 12.3736 12.3736 13.5352 13.5352 13.9053 13.9053 15.5203 15.5203 17.2045 17.2045 17.8580 17.8580 k = 0.1459 0.1454-0.0573 ( 1468 PWs) bands (ev): -9.1707 -9.1707 -4.2109 -4.2109 -2.1973 -2.1973 -1.6302 -1.6302 2.2584 2.2584 2.5639 2.5639 3.4120 3.4120 4.7182 4.7182 5.8785 5.8785 6.1189 6.1189 7.9008 7.9008 9.1190 9.1190 9.6033 9.6033 9.6731 9.6731 12.3382 12.3382 13.4881 13.4881 13.9544 13.9544 15.5918 15.5918 17.2597 17.2597 18.0403 18.0403 k = 0.1536 0.1531-0.0603 ( 1470 PWs) bands (ev): -9.1387 -9.1387 -4.2457 -4.2457 -2.2752 -2.2752 -1.6403 -1.6403 2.3332 2.3332 2.5888 2.5888 3.4599 3.4599 4.7186 4.7186 5.9268 5.9268 6.1577 6.1577 7.7857 7.7857 9.0649 9.0649 9.5018 9.5018 9.6332 9.6332 12.2974 12.2974 13.4396 13.4396 14.0082 14.0082 15.6659 15.6659 17.3158 17.3158 18.2223 18.2223 k = 0.1613 0.1607-0.0633 ( 1473 PWs) bands (ev): -9.1052 -9.1052 -4.2814 -4.2814 -2.3525 -2.3525 -1.6506 -1.6506 2.4065 2.4065 2.6148 2.6148 3.5066 3.5066 4.7174 4.7174 5.9705 5.9705 6.2055 6.2055 7.6720 7.6720 9.0062 9.0062 9.4092 9.4092 9.5932 9.5932 12.2520 12.2520 13.3900 13.3900 14.0661 14.0661 15.7425 15.7425 17.3730 17.3730 18.4032 18.4032 k = 0.1689 0.1684-0.0663 ( 1473 PWs) bands (ev): -9.0703 -9.0703 -4.3177 -4.3177 -2.4291 -2.4291 -1.6611 -1.6611 2.4780 2.4780 2.6419 2.6419 3.5516 3.5516 4.7143 4.7143 6.0082 6.0082 6.2634 6.2634 7.5604 7.5604 8.9418 8.9418 9.3274 9.3274 9.5536 9.5536 12.2024 12.2024 13.3392 13.3392 14.1272 14.1272 15.8216 15.8216 17.4314 17.4314 18.5824 18.5824 k = 0.1766 0.1760-0.0693 ( 1473 PWs) bands (ev): -9.0340 -9.0340 -4.3548 -4.3548 -2.5048 -2.5048 -1.6718 -1.6718 2.5477 2.5477 2.6697 2.6697 3.5946 3.5946 4.7094 4.7094 6.0400 6.0400 6.3311 6.3311 7.4510 7.4510 8.8710 8.8710 9.2580 9.2580 9.5147 9.5147 12.1492 12.1492 13.2871 13.2871 14.1912 14.1912 15.9030 15.9030 17.4908 17.4908 18.7590 18.7590 k = 0.1843 0.1837-0.0723 ( 1473 PWs) bands (ev): -8.9963 -8.9963 -4.3923 -4.3923 -2.5795 -2.5795 -1.6828 -1.6828 2.6154 2.6154 2.6980 2.6980 3.6351 3.6351 4.7026 4.7026 6.0667 6.0667 6.4074 6.4074 7.3442 7.3442 8.7942 8.7942 9.2014 9.2014 9.4766 9.4766 12.0925 12.0925 13.2339 13.2339 14.2573 14.2573 15.9866 15.9866 17.5512 17.5512 18.9324 18.9324 k = 0.1920 0.1913-0.0754 ( 1478 PWs) bands (ev): -8.9573 -8.9573 -4.4303 -4.4303 -2.6532 -2.6532 -1.6939 -1.6939 2.6811 2.6811 2.7268 2.7268 3.6723 3.6723 4.6944 4.6944 6.0896 6.0896 6.4908 6.4908 7.2402 7.2402 8.7128 8.7128 9.1572 9.1572 9.4400 9.4400 12.0327 12.0327 13.1795 13.1795 14.3251 14.3251 16.0723 16.0723 17.6124 17.6124 19.1017 19.1017 k = 0.1996 0.1990-0.0784 ( 1478 PWs) bands (ev): -8.9170 -8.9170 -4.4687 -4.4687 -2.7257 -2.7257 -1.7053 -1.7053 2.7449 2.7449 2.7557 2.7557 3.7056 3.7056 4.6853 4.6853 6.1093 6.1093 6.5803 6.5803 7.1391 7.1391 8.6284 8.6284 9.1245 9.1245 9.4049 9.4049 11.9701 11.9701 13.1240 13.1240 14.3942 14.3942 16.1600 16.1600 17.6742 17.6742 19.2661 19.2661 k = 0.2073 0.2066-0.0814 ( 1478 PWs) bands (ev): -8.8754 -8.8754 -4.5073 -4.5073 -2.7969 -2.7969 -1.7169 -1.7169 2.7844 2.7844 2.8068 2.8068 3.7339 3.7339 4.6762 4.6762 6.1263 6.1263 6.6749 6.6749 7.0409 7.0409 8.5426 8.5426 9.1024 9.1024 9.3720 9.3720 11.9047 11.9047 13.0674 13.0674 14.4641 14.4641 16.2496 16.2496 17.7366 17.7366 19.4246 19.4246 k = 0.2150 0.2143-0.0844 ( 1478 PWs) bands (ev): -8.8326 -8.8326 -4.5461 -4.5461 -2.8669 -2.8669 -1.7288 -1.7288 2.8129 2.8129 2.8667 2.8667 3.7564 3.7564 4.6680 4.6680 6.1409 6.1409 6.7740 6.7740 6.9457 6.9457 8.4566 8.4566 9.0901 9.0901 9.3415 9.3415 11.8369 11.8369 13.0096 13.0096 14.5344 14.5344 16.3408 16.3408 17.7993 17.7993 19.5762 19.5762 k = 0.2227 0.2219-0.0874 ( 1476 PWs) bands (ev): -8.7886 -8.7886 -4.5849 -4.5849 -2.9354 -2.9354 -1.7411 -1.7411 2.8410 2.8410 2.9247 2.9247 3.7717 3.7717 4.6623 4.6623 6.1532 6.1532 6.8534 6.8534 6.8770 6.8770 8.3711 8.3711 9.0875 9.0875 9.3139 9.3139 11.7667 11.7667 12.9508 12.9508 14.6049 14.6049 16.4335 16.4335 17.8622 17.8622 19.7196 19.7196 k = 0.2304 0.2296-0.0904 ( 1478 PWs) bands (ev): -8.7436 -8.7436 -4.6238 -4.6238 -3.0025 -3.0025 -1.7536 -1.7536 2.8683 2.8683 2.9810 2.9810 3.7788 3.7788 4.6603 4.6603 6.1631 6.1631 6.7640 6.7640 6.9832 6.9832 8.2866 8.2866 9.0941 9.0941 9.2896 9.2896 11.6942 11.6942 12.8908 12.8908 14.6749 14.6749 16.5275 16.5275 17.9249 17.9249 19.8535 19.8535 k = 0.2380 0.2373-0.0934 ( 1481 PWs) bands (ev): -8.6974 -8.6974 -4.6627 -4.6627 -3.0682 -3.0682 -1.7666 -1.7666 2.8948 2.8948 3.0357 3.0357 3.7767 3.7767 4.6634 4.6634 6.1706 6.1706 6.6774 6.6774 7.0923 7.0923 8.2036 8.2036 9.1099 9.1099 9.2690 9.2690 11.6194 11.6194 12.8298 12.8298 14.7442 14.7442 16.6226 16.6226 17.9874 17.9874 19.9767 19.9767 k = 0.2457 0.2449-0.0965 ( 1481 PWs) bands (ev): -8.6503 -8.6503 -4.7014 -4.7014 -3.1323 -3.1323 -1.7800 -1.7800 2.9201 2.9201 3.0888 3.0888 3.7650 3.7650 4.6724 4.6724 6.1755 6.1755 6.5938 6.5938 7.2038 7.2038 8.1221 8.1221 9.1348 9.1348 9.2526 9.2526 11.5427 11.5427 12.7678 12.7678 14.8124 14.8124 16.7184 16.7184 18.0494 18.0494 20.0881 20.0881 k = 0.2534 0.2526-0.0995 ( 1481 PWs) bands (ev): -8.6022 -8.6022 -4.7399 -4.7399 -3.1949 -3.1949 -1.7938 -1.7938 2.9442 2.9442 3.1405 3.1405 3.7439 3.7439 4.6878 4.6878 6.1778 6.1778 6.5132 6.5132 7.3171 7.3171 8.0421 8.0421 9.1684 9.1684 9.2408 9.2408 11.4640 11.4640 12.7047 12.7047 14.8791 14.8791 16.8149 16.8149 18.1107 18.1107 20.1869 20.1869 k = 0.2611 0.2602-0.1025 ( 1485 PWs) bands (ev): -8.5533 -8.5533 -4.7781 -4.7781 -3.2558 -3.2558 -1.8082 -1.8082 2.9669 2.9669 3.1909 3.1909 3.7138 3.7138 4.7093 4.7093 6.1772 6.1772 6.4359 6.4359 7.4317 7.4317 7.9638 7.9638 9.2106 9.2106 9.2342 9.2342 11.3835 11.3835 12.6407 12.6407 14.9437 14.9437 16.9115 16.9115 18.1709 18.1709 20.2729 20.2729 k = 0.2688 0.2679-0.1055 ( 1489 PWs) bands (ev): -8.5035 -8.5035 -4.8160 -4.8160 -3.3151 -3.3151 -1.8231 -1.8231 2.9878 2.9878 3.2401 3.2401 3.6760 3.6760 4.7363 4.7363 6.1738 6.1738 6.3620 6.3620 7.5471 7.5471 7.8872 7.8872 9.2331 9.2331 9.2609 9.2609 11.3011 11.3011 12.5757 12.5757 15.0059 15.0059 17.0081 17.0081 18.2300 18.2300 20.3463 20.3463 k = 0.2764 0.2755-0.1085 ( 1492 PWs) bands (ev): -8.4530 -8.4530 -4.8536 -4.8536 -3.3728 -3.3728 -1.8386 -1.8386 3.0070 3.0070 3.2882 3.2882 3.6317 3.6317 4.7679 4.7679 6.1673 6.1673 6.2921 6.2921 7.6626 7.6626 7.8122 7.8122 9.2381 9.2381 9.3190 9.3190 11.2171 11.2171 12.5096 12.5096 15.0652 15.0652 17.1043 17.1043 18.2876 18.2876 20.4084 20.4084 k = 0.2841 0.2832-0.1115 ( 1490 PWs) bands (ev): -8.4019 -8.4019 -4.8907 -4.8907 -3.4287 -3.4287 -1.8547 -1.8547 3.0243 3.0243 3.3354 3.3354 3.5823 3.5823 4.8030 4.8030 6.1577 6.1577 6.2267 6.2267 7.7389 7.7389 7.7778 7.7778 9.2497 9.2497 9.3843 9.3843 11.1315 11.1315 12.4427 12.4427 15.1212 15.1212 17.1997 17.1997 18.3437 18.3437 20.4606 20.4606 k = 0.2918 0.2908-0.1145 ( 1488 PWs) bands (ev): -8.3502 -8.3502 -4.9274 -4.9274 -3.4829 -3.4829 -1.8714 -1.8714 3.0394 3.0394 3.3819 3.3819 3.5291 3.5291 4.8403 4.8403 6.1448 6.1448 6.1666 6.1666 7.6674 7.6674 7.8916 7.8916 9.2683 9.2683 9.4562 9.4562 11.0445 11.0445 12.3750 12.3750 15.1734 15.1734 17.2938 17.2938 18.3979 18.3979 20.5046 20.5046 k = 0.2995 0.2985-0.1176 ( 1488 PWs) bands (ev): -8.2981 -8.2981 -4.9635 -4.9635 -3.5353 -3.5353 -1.8889 -1.8889 3.0523 3.0523 3.4276 3.4276 3.4734 3.4734 4.8787 4.8787 6.1117 6.1117 6.1294 6.1294 7.5977 7.5977 8.0036 8.0036 9.2945 9.2945 9.5341 9.5341 10.9562 10.9562 12.3064 12.3064 15.2212 15.2212 17.3863 17.3863 18.4503 18.4503 20.5423 20.5423 k = 0.3072 0.3061-0.1206 ( 1494 PWs) bands (ev): -8.2456 -8.2456 -4.9991 -4.9991 -3.5859 -3.5859 -1.9070 -1.9070 3.0629 3.0629 3.4160 3.4160 3.4729 3.4729 4.9167 4.9167 6.0642 6.0642 6.1102 6.1102 7.5300 7.5300 8.1129 8.1129 9.3286 9.3286 9.6173 9.6173 10.8669 10.8669 12.2369 12.2369 15.2642 15.2642 17.4766 17.4766 18.5006 18.5006 20.5752 20.5752 k = 0.3148 0.3138-0.1236 ( 1492 PWs) bands (ev): -8.1928 -8.1928 -5.0340 -5.0340 -3.6347 -3.6347 -1.9258 -1.9258 3.0709 3.0709 3.3581 3.3581 3.5176 3.5176 4.9531 4.9531 6.0243 6.0243 6.0881 6.0881 7.4644 7.4644 8.2190 8.2190 9.3710 9.3710 9.7049 9.7049 10.7771 10.7771 12.1667 12.1667 15.3019 15.3019 17.5642 17.5642 18.5489 18.5489 20.6048 20.6048 k = 0.3225 0.3214-0.1266 ( 1492 PWs) bands (ev): -8.1399 -8.1399 -5.0683 -5.0683 -3.6817 -3.6817 -1.9454 -1.9454 3.0764 3.0764 3.3005 3.3005 3.5620 3.5620 4.9867 4.9867 5.9929 5.9929 6.0630 6.0630 7.4013 7.4013 8.3211 8.3211 9.4218 9.4218 9.7957 9.7957 10.6873 10.6873 12.0957 12.0957 15.3339 15.3339 17.6485 17.6485 18.5953 18.5953 20.6322 20.6322 k = 0.3302 0.3291-0.1296 ( 1492 PWs) bands (ev): -8.0870 -8.0870 -5.1019 -5.1019 -3.7269 -3.7269 -1.9656 -1.9656 3.0793 3.0793 3.2437 3.2437 3.6061 3.6061 5.0163 5.0163 5.9709 5.9709 6.0350 6.0350 7.3410 7.3410 8.4189 8.4189 9.4810 9.4810 9.8880 9.8880 10.5990 10.5990 12.0241 12.0241 15.3597 15.3597 17.7290 17.7290 18.6399 18.6399 20.6581 20.6581 k = 0.3379 0.3367-0.1326 ( 1492 PWs) bands (ev): -8.0342 -8.0342 -5.1348 -5.1348 -3.7702 -3.7702 -1.9864 -1.9864 3.0795 3.0795 3.1883 3.1883 3.6500 3.6500 5.0411 5.0411 5.9586 5.9586 6.0043 6.0043 7.2838 7.2838 8.5121 8.5121 9.5483 9.5483 9.9782 9.9782 10.5151 10.5151 11.9518 11.9518 15.3791 15.3791 17.8051 17.8051 18.6828 18.6828 20.6831 20.6831 k = 0.3455 0.3444-0.1356 ( 1494 PWs) bands (ev): -7.9817 -7.9817 -5.1669 -5.1669 -3.8116 -3.8116 -2.0079 -2.0079 3.0769 3.0769 3.1349 3.1349 3.6939 3.6939 5.0605 5.0605 5.9558 5.9558 5.9714 5.9714 7.2304 7.2304 8.6008 8.6008 9.6230 9.6230 10.0574 10.0574 10.4441 10.4441 11.8790 11.8790 15.3917 15.3917 17.8760 17.8760 18.7243 18.7243 20.7075 20.7075 k = 0.3532 0.3521-0.1387 ( 1488 PWs) bands (ev): -7.9295 -7.9295 -5.1982 -5.1982 -3.8511 -3.8511 -2.0298 -2.0298 3.0717 3.0717 3.0839 3.0839 3.7378 3.7378 5.0748 5.0748 5.9349 5.9349 5.9630 5.9630 7.1814 7.1814 8.6853 8.6853 9.7043 9.7043 10.1018 10.1018 10.4094 10.4094 11.8057 11.8057 15.3974 15.3974 17.9413 17.9413 18.7647 18.7647 20.7315 20.7315 k = 0.3609 0.3597-0.1417 ( 1488 PWs) bands (ev): -7.8779 -7.8779 -5.2286 -5.2286 -3.8887 -3.8887 -2.0523 -2.0523 3.0351 3.0351 3.0643 3.0643 3.7817 3.7817 5.0846 5.0846 5.8972 5.8972 5.9767 5.9767 7.1378 7.1378 8.7661 8.7661 9.7909 9.7909 10.0820 10.0820 10.4397 10.4397 11.7321 11.7321 15.3961 15.3961 18.0003 18.0003 18.8042 18.8042 20.7548 20.7548 k = 0.3686 0.3674-0.1447 ( 1488 PWs) bands (ev): -7.8271 -7.8271 -5.2582 -5.2582 -3.9244 -3.9244 -2.0751 -2.0751 2.9894 2.9894 3.0543 3.0543 3.8257 3.8257 5.0908 5.0908 5.8573 5.8573 5.9957 5.9957 7.1007 7.1007 8.8437 8.8437 9.8817 9.8817 10.0149 10.0149 10.5178 10.5178 11.6582 11.6582 15.3877 15.3877 18.0525 18.0525 18.8430 18.8430 20.7774 20.7774 k = 0.3763 0.3750-0.1477 ( 1490 PWs) bands (ev): -7.7772 -7.7772 -5.2868 -5.2868 -3.9581 -3.9581 -2.0982 -2.0982 2.9466 2.9466 3.0421 3.0421 3.8699 3.8699 5.0946 5.0946 5.8156 5.8156 6.0174 6.0174 7.0715 7.0715 8.9188 8.9188 9.9284 9.9284 9.9750 9.9750 10.6153 10.6153 11.5844 11.5844 15.3724 15.3724 18.0974 18.0974 18.8813 18.8813 20.7989 20.7989 k = 0.3839 0.3827-0.1507 ( 1488 PWs) bands (ev): -7.7284 -7.7284 -5.3145 -5.3145 -3.9899 -3.9899 -2.1214 -2.1214 2.9068 2.9068 3.0281 3.0281 3.9143 3.9143 5.0973 5.0973 5.7723 5.7723 6.0389 6.0389 7.0516 7.0516 8.9921 8.9921 9.8339 9.8339 10.0695 10.0695 10.7202 10.7202 11.5107 11.5107 15.3506 15.3506 18.1347 18.1347 18.9194 18.9194 20.8191 20.8191 k = 0.3916 0.3903-0.1537 ( 1491 PWs) bands (ev): -7.6809 -7.6809 -5.3411 -5.3411 -4.0198 -4.0198 -2.1445 -2.1445 2.8700 2.8700 3.0126 3.0126 3.9590 3.9590 5.0998 5.0998 5.7275 5.7275 6.0576 6.0576 7.0427 7.0427 9.0639 9.0639 9.7352 9.7352 10.1635 10.1635 10.8281 10.8281 11.4376 11.4376 15.3226 15.3226 18.1644 18.1644 18.9572 18.9572 20.8377 20.8377 k = 0.3993 0.3980-0.1567 ( 1491 PWs) bands (ev): -7.6349 -7.6349 -5.3666 -5.3666 -4.0477 -4.0477 -2.1675 -2.1675 2.8361 2.8361 2.9962 2.9962 4.0040 4.0040 5.1030 5.1030 5.6815 5.6815 6.0710 6.0710 7.0462 7.0462 9.1349 9.1349 9.6341 9.6341 10.2555 10.2555 10.9367 10.9367 11.3654 11.3654 15.2891 15.2891 18.1864 18.1864 18.9948 18.9948 20.8544 20.8544 k = 0.4070 0.4056-0.1598 ( 1493 PWs) bands (ev): -7.5907 -7.5907 -5.3909 -5.3909 -4.0737 -4.0737 -2.1901 -2.1901 2.8048 2.8048 2.9793 2.9793 4.0493 4.0493 5.1076 5.1076 5.6345 5.6345 6.0776 6.0776 7.0627 7.0627 9.2053 9.2053 9.5315 9.5315 10.3436 10.3436 11.0446 11.0446 11.2950 11.2950 15.2508 15.2508 18.2011 18.2011 19.0320 19.0320 20.8690 20.8690 k = 0.4147 0.4133-0.1628 ( 1493 PWs) bands (ev): -7.5485 -7.5485 -5.4140 -5.4140 -4.0976 -4.0976 -2.2122 -2.2122 2.7759 2.7759 2.9625 2.9625 4.0950 4.0950 5.1139 5.1139 5.5866 5.5866 6.0766 6.0766 7.0924 7.0924 9.2754 9.2754 9.4277 9.4277 10.4256 10.4256 11.1505 11.1505 11.2275 11.2275 15.2084 15.2084 18.2089 18.2089 19.0688 19.0688 20.8814 20.8814 k = 0.4223 0.4209-0.1658 ( 1491 PWs) bands (ev): -7.5086 -7.5086 -5.4358 -5.4358 -4.1196 -4.1196 -2.2335 -2.2335 2.7490 2.7490 2.9466 2.9466 4.1410 4.1410 5.1223 5.1223 5.5380 5.5380 6.0683 6.0683 7.1347 7.1347 9.3232 9.3232 9.3453 9.3453 10.4987 10.4987 11.1649 11.1649 11.2535 11.2535 15.1630 15.1630 18.2107 18.2107 19.1050 19.1050 20.8915 20.8915 k = 0.4300 0.4286-0.1688 ( 1491 PWs) bands (ev): -7.4711 -7.4711 -5.4561 -5.4561 -4.1396 -4.1396 -2.2539 -2.2539 2.7238 2.7238 2.9322 2.9322 4.1874 4.1874 5.1328 5.1328 5.4888 5.4888 6.0534 6.0534 7.1881 7.1881 9.2181 9.2181 9.4153 9.4153 10.5587 10.5587 11.1105 11.1105 11.3523 11.3523 15.1156 15.1156 18.2073 18.2073 19.1401 19.1401 20.8994 20.8994 k = 0.4377 0.4362-0.1718 ( 1489 PWs) bands (ev): -7.4364 -7.4364 -5.4748 -5.4748 -4.1576 -4.1576 -2.2732 -2.2732 2.6998 2.6998 2.9201 2.9201 4.2340 4.2340 5.1456 5.1456 5.4393 5.4393 6.0332 6.0332 7.2511 7.2511 9.1126 9.1126 9.4852 9.4852 10.5997 10.5997 11.0695 11.0695 11.4458 11.4458 15.0676 15.0676 18.1999 18.1999 19.1739 19.1739 20.9051 20.9051 k = 0.4454 0.4439-0.1748 ( 1491 PWs) bands (ev): -7.4047 -7.4047 -5.4919 -5.4919 -4.1736 -4.1736 -2.2912 -2.2912 2.6767 2.6767 2.9108 2.9108 4.2810 4.2810 5.1606 5.1606 5.3896 5.3896 6.0090 6.0090 7.3223 7.3223 9.0069 9.0069 9.5550 9.5550 10.6150 10.6150 11.0478 11.0478 11.5329 11.5329 15.0201 15.0201 18.1894 18.1894 19.2059 19.2059 20.9088 20.9088 k = 0.4530 0.4515-0.1778 ( 1495 PWs) bands (ev): -7.3763 -7.3763 -5.5073 -5.5073 -4.1876 -4.1876 -2.3078 -2.3078 2.6543 2.6543 2.9049 2.9049 4.3281 4.3281 5.1776 5.1776 5.3399 5.3399 5.9821 5.9821 7.4002 7.4002 8.9012 8.9012 9.6246 9.6246 10.6024 10.6024 11.0472 11.0472 11.6123 11.6123 14.9745 14.9745 18.1772 18.1772 19.2358 19.2358 20.9107 20.9107 k = 0.4607 0.4592-0.1809 ( 1491 PWs) bands (ev): -7.3514 -7.3514 -5.5207 -5.5207 -4.1996 -4.1996 -2.3227 -2.3227 2.6324 2.6324 2.9026 2.9026 4.3754 4.3754 5.1965 5.1965 5.2904 5.2904 5.9536 5.9536 7.4837 7.4837 8.7957 8.7957 9.6937 9.6937 10.5671 10.5671 11.0620 11.0620 11.6826 11.6826 14.9325 14.9325 18.1643 18.1643 19.2633 19.2633 20.9110 20.9110 k = 0.4684 0.4669-0.1839 ( 1494 PWs) bands (ev): -7.3303 -7.3303 -5.5322 -5.5322 -4.2096 -4.2096 -2.3358 -2.3358 2.6111 2.6111 2.9040 2.9040 4.4226 4.4226 5.2170 5.2170 5.2413 5.2413 5.9244 5.9244 7.5715 7.5715 8.6905 8.6905 9.7617 9.7617 10.5175 10.5175 11.0838 11.0838 11.7425 11.7425 14.8954 14.8954 18.1520 18.1520 19.2877 19.2877 20.9101 20.9101 k = 0.4761 0.4745-0.1869 ( 1490 PWs) bands (ev): -7.3132 -7.3132 -5.5415 -5.5415 -4.2176 -4.2176 -2.3470 -2.3470 2.5906 2.5906 2.9093 2.9093 4.4696 4.4696 5.1930 5.1930 5.2390 5.2390 5.8955 5.8955 7.6630 7.6630 8.5860 8.5860 9.8278 9.8278 10.4606 10.4606 11.1060 11.1060 11.7907 11.7907 14.8647 14.8647 18.1411 18.1411 19.3088 19.3088 20.9081 20.9081 k = 0.4838 0.4822-0.1899 ( 1488 PWs) bands (ev): -7.3001 -7.3001 -5.5486 -5.5486 -4.2235 -4.2235 -2.3562 -2.3562 2.5711 2.5711 2.9182 2.9182 4.5159 4.5159 5.1459 5.1459 5.2618 5.2618 5.8677 5.8677 7.7571 7.7571 8.4824 8.4824 9.8902 9.8902 10.4019 10.4019 11.1242 11.1242 11.8261 11.8261 14.8416 14.8416 18.1324 18.1324 19.3262 19.3262 20.9053 20.9053 k = 0.4838 0.4822-0.1899 ( 1488 PWs) bands (ev): -7.3001 -7.3001 -5.5486 -5.5486 -4.2235 -4.2235 -2.3562 -2.3562 2.5711 2.5711 2.9182 2.9182 4.5159 4.5159 5.1459 5.1459 5.2618 5.2618 5.8677 5.8677 7.7571 7.7571 8.4824 8.4824 9.8902 9.8902 10.4019 10.4019 11.1242 11.1242 11.8261 11.8261 14.8416 14.8416 18.1324 18.1324 19.3262 19.3262 20.9053 20.9053 k = 0.4860 0.4844-0.1792 ( 1485 PWs) bands (ev): -7.2978 -7.2978 -5.5487 -5.5487 -4.2204 -4.2204 -2.3488 -2.3488 2.4650 2.4650 3.0255 3.0255 4.3881 4.3881 5.1437 5.1437 5.2690 5.2690 5.9747 5.9747 7.6681 7.6681 8.5770 8.5770 9.8735 9.8735 10.4322 10.4322 11.1297 11.1297 11.8381 11.8381 14.8325 14.8325 18.1310 18.1310 19.3126 19.3126 20.9188 20.9188 k = 0.4883 0.4866-0.1685 ( 1490 PWs) bands (ev): -7.2938 -7.2938 -5.5492 -5.5492 -4.2155 -4.2155 -2.3410 -2.3410 2.3412 2.3412 3.1556 3.1556 4.2551 4.2551 5.0155 5.0155 5.3957 5.3957 6.0863 6.0863 7.5835 7.5835 8.6718 8.6718 9.8573 9.8573 10.4645 10.4645 11.1351 11.1351 11.8490 11.8490 14.8225 14.8225 18.1292 18.1292 19.2975 19.2975 20.9352 20.9352 k = 0.4905 0.4889-0.1578 ( 1493 PWs) bands (ev): -7.2881 -7.2881 -5.5501 -5.5501 -4.2087 -4.2087 -2.3325 -2.3325 2.2141 2.2141 3.2941 3.2941 4.1198 4.1198 4.8830 4.8830 5.5229 5.5229 6.1944 6.1944 7.5061 7.5061 8.7663 8.7663 9.8421 9.8421 10.4984 10.4984 11.1403 11.1403 11.8586 11.8586 14.8116 14.8116 18.1269 18.1269 19.2812 19.2812 20.9544 20.9544 k = 0.4927 0.4911-0.1471 ( 1497 PWs) bands (ev): -7.2809 -7.2809 -5.5514 -5.5514 -4.2000 -4.2000 -2.3235 -2.3235 2.0877 2.0877 3.4371 3.4371 3.9833 3.9833 4.7487 4.7487 5.6494 5.6494 6.2929 6.2929 7.4399 7.4399 8.8604 8.8604 9.8281 9.8281 10.5338 10.5338 11.1455 11.1455 11.8671 11.8671 14.7999 14.7999 18.1240 18.1240 19.2637 19.2637 20.9758 20.9758 k = 0.4950 0.4934-0.1364 ( 1495 PWs) bands (ev): -7.2720 -7.2720 -5.5530 -5.5530 -4.1895 -4.1895 -2.3139 -2.3139 1.9633 1.9633 3.5829 3.5829 3.8463 3.8463 4.6141 4.6141 5.7745 5.7745 6.3748 6.3748 7.3908 7.3908 8.9538 8.9538 9.8156 9.8156 10.5706 10.5706 11.1507 11.1507 11.8745 11.8745 14.7873 14.7873 18.1208 18.1208 19.2454 19.2454 20.9994 20.9994 k = 0.4972 0.4956-0.1257 ( 1493 PWs) bands (ev): -7.2615 -7.2615 -5.5551 -5.5551 -4.1771 -4.1771 -2.3038 -2.3038 1.8417 1.8417 3.7091 3.7091 3.7304 3.7304 4.4803 4.4803 5.8977 5.8977 6.4322 6.4322 7.3663 7.3663 9.0463 9.0463 9.8046 9.8046 10.6084 10.6084 11.1560 11.1560 11.8807 11.8807 14.7740 14.7740 18.1172 18.1172 19.2261 19.2261 21.0249 21.0249 k = 0.4995 0.4978-0.1150 ( 1493 PWs) bands (ev): -7.2493 -7.2493 -5.5577 -5.5577 -4.1629 -4.1629 -2.2931 -2.2931 1.7233 1.7233 3.5720 3.5720 3.8767 3.8767 4.3497 4.3497 6.0185 6.0185 6.4579 6.4579 7.3731 7.3731 9.1378 9.1378 9.7955 9.7955 10.6472 10.6472 11.1614 11.1614 11.8858 11.8858 14.7599 14.7599 18.1132 18.1132 19.2061 19.2061 21.0518 21.0518 k = 0.5017 0.5001-0.1043 ( 1493 PWs) bands (ev): -7.2357 -7.2357 -5.5609 -5.5609 -4.1468 -4.1468 -2.2819 -2.2819 1.6084 1.6084 3.4351 3.4351 4.0096 4.0096 4.2349 4.2349 6.1366 6.1366 6.4501 6.4501 7.4127 7.4127 9.2283 9.2283 9.7882 9.7882 10.6870 10.6870 11.1670 11.1670 11.8899 11.8899 14.7451 14.7451 18.1090 18.1090 19.1853 19.1853 21.0799 21.0799 k = 0.5040 0.5023-0.0936 ( 1489 PWs) bands (ev): -7.2204 -7.2204 -5.5646 -5.5646 -4.1289 -4.1289 -2.2701 -2.2701 1.4973 1.4973 3.2987 3.2987 4.0256 4.0256 4.2392 4.2392 6.2515 6.2515 6.4134 6.4134 7.4803 7.4803 9.3177 9.3177 9.7829 9.7829 10.7275 10.7275 11.1729 11.1729 11.8929 11.8929 14.7298 14.7298 18.1047 18.1047 19.1637 19.1637 21.1087 21.1087 k = 0.5062 0.5046-0.0829 ( 1487 PWs) bands (ev): -7.2036 -7.2036 -5.5691 -5.5691 -4.1093 -4.1093 -2.2579 -2.2579 1.3903 1.3903 3.1629 3.1629 3.9149 3.9149 4.3724 4.3724 6.3545 6.3545 6.3640 6.3640 7.5682 7.5682 9.4058 9.4058 9.7797 9.7797 10.7688 10.7688 11.1793 11.1793 11.8950 11.8950 14.7138 14.7138 18.1004 18.1004 19.1416 19.1416 21.1380 21.1380 k = 0.5085 0.5068-0.0722 ( 1485 PWs) bands (ev): -7.1853 -7.1853 -5.5743 -5.5743 -4.0878 -4.0878 -2.2451 -2.2451 1.2876 1.2876 3.0278 3.0278 3.7878 3.7878 4.5241 4.5241 6.2832 6.2832 6.4708 6.4708 7.6692 7.6692 9.4927 9.4927 9.7787 9.7787 10.8107 10.8107 11.1864 11.1864 11.8962 11.8962 14.6974 14.6974 18.0961 18.0961 19.1187 19.1187 21.1671 21.1671 k = 0.5107 0.5090-0.0615 ( 1483 PWs) bands (ev): -7.1654 -7.1654 -5.5804 -5.5804 -4.0647 -4.0647 -2.2319 -2.2319 1.1892 1.1892 2.8936 2.8936 3.6586 3.6586 4.6798 4.6798 6.2017 6.2017 6.5743 6.5743 7.7781 7.7781 9.5782 9.5782 9.7798 9.7798 10.8530 10.8530 11.1943 11.1943 11.8965 11.8965 14.6805 14.6805 18.0920 18.0920 19.0953 19.0953 21.1957 21.1957 k = 0.5130 0.5113-0.0508 ( 1483 PWs) bands (ev): -7.1441 -7.1441 -5.5874 -5.5874 -4.0397 -4.0397 -2.2182 -2.2182 1.0956 1.0956 2.7603 2.7603 3.5295 3.5295 4.8373 4.8373 6.1141 6.1141 6.6734 6.6734 7.8914 7.8914 9.6624 9.6624 9.7832 9.7832 10.8956 10.8956 11.2033 11.2033 11.8961 11.8961 14.6631 14.6631 18.0882 18.0882 19.0712 19.0712 21.2227 21.2227 k = 0.5152 0.5135-0.0401 ( 1482 PWs) bands (ev): -7.1213 -7.1213 -5.5954 -5.5954 -4.0131 -4.0131 -2.2040 -2.2040 1.0067 1.0067 2.6280 2.6280 3.4013 3.4013 4.9956 4.9956 6.0226 6.0226 6.7678 6.7678 8.0068 8.0068 9.7453 9.7453 9.7888 9.7888 10.9384 10.9384 11.2137 11.2137 11.8951 11.8951 14.6454 14.6454 18.0849 18.0849 19.0464 19.0464 21.1922 21.1922 k = 0.5175 0.5157-0.0294 ( 1482 PWs) bands (ev): -7.0971 -7.0971 -5.6046 -5.6046 -3.9848 -3.9848 -2.1894 -2.1894 0.9229 0.9229 2.4969 2.4969 3.2743 3.2743 5.1541 5.1541 5.9286 5.9286 6.8571 6.8571 8.1228 8.1228 9.7964 9.7964 9.8268 9.8268 10.9809 10.9809 11.2260 11.2260 11.8936 11.8936 14.6273 14.6273 18.0821 18.0821 19.0211 19.0211 21.1584 21.1584 k = 0.5197 0.5180-0.0187 ( 1484 PWs) bands (ev): -7.0715 -7.0715 -5.6150 -5.6150 -3.9549 -3.9549 -2.1744 -2.1744 0.8442 0.8442 2.3670 2.3670 3.1487 3.1487 5.3123 5.3123 5.8335 5.8335 6.9412 6.9412 8.2379 8.2379 9.8060 9.8060 9.9070 9.9070 11.0228 11.0228 11.2407 11.2407 11.8918 11.8918 14.6089 14.6089 18.0801 18.0801 18.9950 18.9950 21.1242 21.1242 k = 0.5220 0.5202-0.0080 ( 1486 PWs) bands (ev): -7.0445 -7.0445 -5.6267 -5.6267 -3.9233 -3.9233 -2.1589 -2.1589 0.7707 0.7707 2.2385 2.2385 3.0248 3.0248 5.4687 5.4687 5.7389 5.7389 7.0199 7.0199 8.3515 8.3515 9.8174 9.8174 9.9859 9.9859 11.0636 11.0636 11.2584 11.2584 11.8898 11.8898 14.5902 14.5902 18.0788 18.0788 18.9683 18.9683 21.0902 21.0902 k = 0.5242 0.5225 0.0027 ( 1484 PWs) bands (ev): -7.0162 -7.0162 -5.6398 -5.6398 -3.8901 -3.8901 -2.1429 -2.1429 0.7027 0.7027 2.1114 2.1114 2.9026 2.9026 5.5999 5.5999 5.6684 5.6684 7.0929 7.0929 8.4626 8.4626 9.8303 9.8303 10.0637 10.0637 11.1028 11.1028 11.2800 11.2800 11.8879 11.8879 14.5712 14.5712 18.0786 18.0786 18.9410 18.9410 21.0563 21.0563 k = 0.5264 0.5247 0.0134 ( 1482 PWs) bands (ev): -6.9867 -6.9867 -5.6543 -5.6543 -3.8554 -3.8554 -2.1265 -2.1265 0.6402 0.6402 1.9859 1.9859 2.7822 2.7822 5.5354 5.5354 5.7925 5.7925 7.1603 7.1603 8.5706 8.5706 9.8444 9.8444 10.1403 10.1403 11.1397 11.1397 11.3062 11.3062 11.8863 11.8863 14.5518 14.5518 18.0794 18.0794 18.9130 18.9130 21.0230 21.0230 k = 0.5287 0.5269 0.0241 ( 1482 PWs) bands (ev): -6.9559 -6.9559 -5.6705 -5.6705 -3.8193 -3.8193 -2.1095 -2.1095 0.5832 0.5832 1.8620 1.8620 2.6637 2.6637 5.4406 5.4406 5.9458 5.9458 7.2219 7.2219 8.6750 8.6750 9.8594 9.8594 10.2160 10.2160 11.1741 11.1741 11.3374 11.3374 11.8851 11.8851 14.5321 14.5321 18.0813 18.0813 18.8842 18.8842 20.9902 20.9902 k = 0.5309 0.5292 0.0348 ( 1482 PWs) bands (ev): -6.9240 -6.9240 -5.6882 -5.6882 -3.7817 -3.7817 -2.0921 -2.0921 0.5320 0.5320 1.7399 1.7399 2.5473 2.5473 5.3449 5.3449 6.0988 6.0988 7.2778 7.2778 8.7751 8.7751 9.8747 9.8747 10.2907 10.2907 11.2062 11.2062 11.3735 11.3735 11.8848 11.8848 14.5119 14.5119 18.0845 18.0845 18.8547 18.8547 20.9583 20.9583 k = 0.5332 0.5314 0.0455 ( 1484 PWs) bands (ev): -6.8910 -6.8910 -5.7076 -5.7076 -3.7427 -3.7427 -2.0740 -2.0740 0.4864 0.4864 1.6197 1.6197 2.4329 2.4329 5.2494 5.2494 6.2501 6.2501 7.3280 7.3280 8.8707 8.8707 9.8900 9.8900 10.3647 10.3647 11.2370 11.2370 11.4139 11.4139 11.8855 11.8855 14.4913 14.4913 18.0891 18.0891 18.8243 18.8243 20.9272 20.9272 k = 0.5354 0.5337 0.0561 ( 1484 PWs) bands (ev): -6.8570 -6.8570 -5.7287 -5.7287 -3.7025 -3.7025 -2.0553 -2.0553 0.4464 0.4464 1.5014 1.5014 2.3208 2.3208 5.1548 5.1548 6.3989 6.3989 7.3728 7.3728 8.9612 8.9612 9.9048 9.9048 10.4380 10.4380 11.2672 11.2672 11.4577 11.4577 11.8875 11.8875 14.4702 14.4702 18.0951 18.0951 18.7932 18.7932 20.8973 20.8973 k = 0.5377 0.5359 0.0668 ( 1482 PWs) bands (ev): -6.8220 -6.8220 -5.7515 -5.7515 -3.6610 -3.6610 -2.0359 -2.0359 0.4122 0.4122 1.3852 1.3852 2.2110 2.2110 5.0611 5.0611 6.5446 6.5446 7.4123 7.4123 9.0464 9.0464 9.9186 9.9186 10.5107 10.5107 11.2978 11.2978 11.5041 11.5041 11.8911 11.8911 14.4485 14.4485 18.1025 18.1025 18.7614 18.7614 20.8686 20.8686 k = 0.5399 0.5381 0.0775 ( 1482 PWs) bands (ev): -6.7863 -6.7863 -5.7760 -5.7760 -3.6184 -3.6184 -2.0158 -2.0158 0.3835 0.3835 1.2712 1.2712 2.1036 2.1036 4.9686 4.9686 6.6867 6.6867 7.4466 7.4466 9.1261 9.1261 9.9310 9.9310 10.5830 10.5830 11.3294 11.3294 11.5525 11.5525 11.8965 11.8965 14.4262 14.4262 18.1115 18.1115 18.7287 18.7287 20.8412 20.8412 k = 0.5422 0.5404 0.0882 ( 1482 PWs) bands (ev): -6.7498 -6.7498 -5.8021 -5.8021 -3.5748 -3.5748 -1.9948 -1.9948 0.3604 0.3604 1.1595 1.1595 1.9987 1.9987 4.8774 4.8774 6.8245 6.8245 7.4762 7.4762 9.2001 9.2001 9.9415 9.9415 10.6547 10.6547 11.3623 11.3623 11.6025 11.6025 11.9041 11.9041 14.4032 14.4032 18.1220 18.1220 18.6952 18.6952 20.8152 20.8152 k = 0.5444 0.5426 0.0989 ( 1478 PWs) bands (ev): -6.7128 -6.7128 -5.8298 -5.8298 -3.5302 -3.5302 -1.9728 -1.9728 0.3426 0.3426 1.0503 1.0503 1.8963 1.8963 4.7877 4.7877 6.9573 6.9573 7.5011 7.5011 9.2687 9.2687 9.9498 9.9498 10.7261 10.7261 11.3969 11.3969 11.6537 11.6537 11.9140 11.9140 14.3795 14.3795 18.1340 18.1340 18.6610 18.6610 20.7907 20.7907 k = 0.5467 0.5449 0.1096 ( 1476 PWs) bands (ev): -6.6755 -6.6755 -5.8589 -5.8589 -3.4847 -3.4847 -1.9499 -1.9499 0.3301 0.3301 0.9437 0.9437 1.7966 1.7966 4.6997 4.6997 7.0844 7.0844 7.5218 7.5218 9.3319 9.3319 9.9558 9.9558 10.7968 10.7968 11.4330 11.4330 11.7057 11.7057 11.9265 11.9265 14.3550 14.3550 18.1476 18.1476 18.6258 18.6258 20.7677 20.7677 k = 0.5489 0.5471 0.1203 ( 1475 PWs) bands (ev): -6.6382 -6.6382 -5.8891 -5.8891 -3.4386 -3.4386 -1.9259 -1.9259 0.3227 0.3227 0.8399 0.8399 1.6997 1.6997 4.6135 4.6135 7.2050 7.2050 7.5385 7.5385 9.3901 9.3901 9.9590 9.9590 10.8668 10.8668 11.4706 11.4706 11.7583 11.7583 11.9417 11.9417 14.3298 14.3298 18.1626 18.1626 18.5898 18.5898 20.7464 20.7464 k = 0.5512 0.5493 0.1310 ( 1475 PWs) bands (ev): -6.6011 -6.6011 -5.9202 -5.9202 -3.3920 -3.3920 -1.9008 -1.9008 0.3203 0.3203 0.7390 0.7390 1.6056 1.6056 4.5292 4.5292 7.3180 7.3180 7.5515 7.5515 9.4439 9.4439 9.9595 9.9595 10.9360 10.9360 11.5095 11.5095 11.8115 11.8115 11.9598 11.9598 14.3039 14.3039 18.1792 18.1792 18.5529 18.5529 20.7268 20.7268 k = 0.5534 0.5516 0.1417 ( 1473 PWs) bands (ev): -6.5648 -6.5648 -5.9516 -5.9516 -3.3450 -3.3450 -1.8744 -1.8744 0.3225 0.3225 0.6412 0.6412 1.5145 1.5145 4.4469 4.4469 7.4227 7.4227 7.5611 7.5611 9.4938 9.4938 9.9573 9.9573 11.0041 11.0041 11.5494 11.5494 11.8649 11.8649 11.9809 11.9809 14.2774 14.2774 18.1970 18.1970 18.5151 18.5151 20.7090 20.7090 k = 0.5534 0.5516 0.1417 ( 1473 PWs) bands (ev): -6.5648 -6.5648 -5.9516 -5.9516 -3.3450 -3.3450 -1.8744 -1.8744 0.3225 0.3225 0.6412 0.6412 1.5145 1.5145 4.4469 4.4469 7.4227 7.4227 7.5611 7.5611 9.4938 9.4938 9.9573 9.9573 11.0041 11.0041 11.5494 11.5494 11.8649 11.8649 11.9809 11.9809 14.2774 14.2774 18.1970 18.1970 18.5151 18.5151 20.7090 20.7090 k = 0.5503 0.5484 0.1518 ( 1471 PWs) bands (ev): -6.5509 -6.5509 -5.9541 -5.9541 -3.3076 -3.3076 -1.8071 -1.8071 0.2895 0.2895 0.5408 0.5408 1.4283 1.4283 4.3257 4.3257 7.4768 7.4768 7.5661 7.5661 9.5675 9.5675 9.9872 9.9872 11.0889 11.0889 11.6204 11.6204 11.9491 11.9491 12.0602 12.0602 14.2117 14.2117 18.1722 18.1722 18.4528 18.4528 20.6886 20.6886 k = 0.5471 0.5453 0.1618 ( 1471 PWs) bands (ev): -6.5393 -6.5393 -5.9548 -5.9548 -3.2700 -3.2700 -1.7389 -1.7389 0.2582 0.2582 0.4440 0.4440 1.3452 1.3452 4.2087 4.2087 7.5273 7.5273 7.5690 7.5690 9.6393 9.6393 10.0158 10.0158 11.1695 11.1695 11.6916 11.6916 12.0308 12.0308 12.1397 12.1397 14.1459 14.1459 18.1464 18.1464 18.3912 18.3912 20.6691 20.6691 k = 0.5440 0.5422 0.1718 ( 1473 PWs) bands (ev): -6.5300 -6.5300 -5.9538 -5.9538 -3.2324 -3.2324 -1.6698 -1.6698 0.2285 0.2285 0.3509 0.3509 1.2651 1.2651 4.0963 4.0963 7.5669 7.5669 7.5777 7.5777 9.7089 9.7089 10.0429 10.0429 11.2455 11.2455 11.7624 11.7624 12.1095 12.1095 12.2190 12.2190 14.0801 14.0801 18.1199 18.1199 18.3304 18.3304 20.6508 20.6508 k = 0.5408 0.5390 0.1818 ( 1476 PWs) bands (ev): -6.5226 -6.5226 -5.9514 -5.9514 -3.1951 -3.1951 -1.6005 -1.6005 0.2005 0.2005 0.2617 0.2617 1.1882 1.1882 3.9888 3.9888 7.5684 7.5684 7.6194 7.6194 9.7760 9.7760 10.0684 10.0684 11.3168 11.3168 11.8323 11.8323 12.1848 12.1848 12.2980 12.2980 14.0146 14.0146 18.0930 18.0930 18.2710 18.2710 20.6334 20.6334 k = 0.5377 0.5359 0.1919 ( 1474 PWs) bands (ev): -6.5171 -6.5171 -5.9478 -5.9478 -3.1582 -3.1582 -1.5313 -1.5313 0.1738 0.1738 0.1770 0.1770 1.1147 1.1147 3.8868 3.8868 7.5670 7.5670 7.6597 7.6597 9.8404 9.8404 10.0921 10.0921 11.3831 11.3831 11.9005 11.9005 12.2565 12.2565 12.3765 12.3765 13.9495 13.9495 18.0661 18.0661 18.2134 18.2134 20.6171 20.6171 k = 0.5346 0.5328 0.2019 ( 1472 PWs) bands (ev): -6.5131 -6.5131 -5.9432 -5.9432 -3.1223 -3.1223 -1.4626 -1.4626 0.0967 0.0967 0.1486 0.1486 1.0448 1.0448 3.7906 3.7906 7.5647 7.5647 7.6968 7.6968 9.9018 9.9018 10.1140 10.1140 11.4444 11.4444 11.9665 11.9665 12.3240 12.3240 12.4542 12.4542 13.8849 13.8849 18.0396 18.0396 18.1579 18.1579 20.6019 20.6019 k = 0.5314 0.5297 0.2119 ( 1470 PWs) bands (ev): -6.5103 -6.5103 -5.9379 -5.9379 -3.0874 -3.0874 -1.3949 -1.3949 0.0215 0.0215 0.1247 0.1247 0.9787 0.9787 3.7007 3.7007 7.5618 7.5618 7.7305 7.7305 9.9597 9.9597 10.1341 10.1341 11.5006 11.5006 12.0296 12.0296 12.3872 12.3872 12.5308 12.5308 13.8211 13.8211 18.0137 18.0137 18.1050 18.1050 20.5879 20.5879 k = 0.5283 0.5265 0.2220 ( 1472 PWs) bands (ev): -6.5087 -6.5087 -5.9323 -5.9323 -3.0541 -3.0541 -1.3290 -1.3290 -0.0485 -0.0485 0.1019 0.1019 0.9168 0.9168 3.6175 3.6175 7.5585 7.5585 7.7609 7.7609 10.0137 10.0137 10.1522 10.1522 11.5514 11.5514 12.0892 12.0892 12.4455 12.4455 12.6060 12.6060 13.7581 13.7581 17.9889 17.9889 18.0551 18.0551 20.5751 20.5751 k = 0.5251 0.5234 0.2320 ( 1470 PWs) bands (ev): -6.5078 -6.5078 -5.9266 -5.9266 -3.0227 -3.0227 -1.2654 -1.2654 -0.1127 -0.1127 0.0803 0.0803 0.8595 0.8595 3.5416 3.5416 7.5551 7.5551 7.7879 7.7879 10.0636 10.0636 10.1684 10.1684 11.5971 11.5971 12.1446 12.1446 12.4986 12.4986 12.6797 12.6797 13.6960 13.6960 17.9655 17.9655 18.0088 18.0088 20.5636 20.5636 k = 0.5220 0.5203 0.2420 ( 1469 PWs) bands (ev): -6.5075 -6.5075 -5.9210 -5.9210 -2.9936 -2.9936 -1.2051 -1.2051 -0.1707 -0.1707 0.0598 0.0598 0.8072 0.8072 3.4733 3.4733 7.5517 7.5517 7.8118 7.8118 10.1089 10.1089 10.1827 10.1827 11.6373 11.6373 12.1952 12.1952 12.5463 12.5463 12.7515 12.7515 13.6348 13.6348 17.9438 17.9438 17.9664 17.9664 20.5533 20.5533 k = 0.5188 0.5171 0.2520 ( 1469 PWs) bands (ev): -6.5076 -6.5076 -5.9157 -5.9157 -2.9672 -2.9672 -1.1489 -1.1489 -0.2222 -0.2222 0.0405 0.0405 0.7604 0.7604 3.4130 3.4130 7.5486 7.5486 7.8323 7.8323 10.1491 10.1491 10.1951 10.1951 11.6722 11.6722 12.2405 12.2405 12.5883 12.5883 12.8213 12.8213 13.5747 13.5747 17.9240 17.9240 17.9288 17.9288 20.5445 20.5445 k = 0.5157 0.5140 0.2621 ( 1471 PWs) bands (ev): -6.5079 -6.5079 -5.9110 -5.9110 -2.9440 -2.9440 -1.0980 -1.0980 -0.2667 -0.2667 0.0227 0.0227 0.7196 0.7196 3.3613 3.3613 7.5457 7.5457 7.8497 7.8497 10.1839 10.1839 10.2055 10.2055 11.7016 11.7016 12.2798 12.2798 12.6242 12.6242 12.8889 12.8889 13.5156 13.5156 17.8954 17.8954 17.9074 17.9074 20.5370 20.5370 k = 0.5126 0.5109 0.2721 ( 1474 PWs) bands (ev): -6.5084 -6.5084 -5.9069 -5.9069 -2.9243 -2.9243 -1.0536 -1.0536 -0.3038 -0.3038 0.0068 0.0068 0.6854 0.6854 3.3184 3.3184 7.5432 7.5432 7.8639 7.8639 10.2122 10.2122 10.2148 10.2148 11.7256 11.7256 12.3127 12.3127 12.6539 12.6539 12.9540 12.9540 13.4576 13.4576 17.8679 17.8679 17.8929 17.8929 20.5310 20.5310 k = 0.5094 0.5077 0.2821 ( 1474 PWs) bands (ev): -6.5089 -6.5089 -5.9036 -5.9036 -2.9085 -2.9085 -1.0171 -1.0171 -0.3331 -0.3331 -0.0068 -0.0068 0.6582 0.6582 3.2847 3.2847 7.5412 7.5412 7.8748 7.8748 10.2205 10.2205 10.2361 10.2361 11.7443 11.7443 12.3388 12.3388 12.6773 12.6773 13.0164 13.0164 13.4010 13.4010 17.8460 17.8460 17.8813 17.8813 20.5264 20.5264 k = 0.5063 0.5046 0.2922 ( 1470 PWs) bands (ev): -6.5093 -6.5093 -5.9011 -5.9011 -2.8970 -2.8970 -0.9898 -0.9898 -0.3543 -0.3543 -0.0172 -0.0172 0.6385 0.6385 3.2604 3.2604 7.5397 7.5397 7.8827 7.8827 10.2252 10.2252 10.2527 10.2527 11.7578 11.7578 12.3577 12.3577 12.6941 12.6941 13.0748 13.0748 13.3468 13.3468 17.8302 17.8302 17.8730 17.8730 20.5233 20.5233 k = 0.5031 0.5015 0.3022 ( 1470 PWs) bands (ev): -6.5095 -6.5095 -5.8997 -5.8997 -2.8900 -2.8900 -0.9728 -0.9728 -0.3671 -0.3671 -0.0238 -0.0238 0.6265 0.6265 3.2458 3.2458 7.5388 7.5388 7.8874 7.8874 10.2281 10.2281 10.2628 10.2628 11.7657 11.7657 12.3692 12.3692 12.7041 12.7041 13.1252 13.1252 13.2989 13.2989 17.8206 17.8206 17.8679 17.8679 20.5217 20.5217 k = 0.5000 0.4983 0.3122 ( 1466 PWs) bands (ev): -6.5096 -6.5096 -5.8992 -5.8992 -2.8877 -2.8877 -0.9671 -0.9671 -0.3714 -0.3714 -0.0260 -0.0260 0.6225 0.6225 3.2409 3.2409 7.5385 7.5385 7.8890 7.8890 10.2290 10.2290 10.2662 10.2662 11.7685 11.7685 12.3730 12.3730 12.7076 12.7076 13.1499 13.1499 13.2751 13.2751 17.8174 17.8174 17.8662 17.8662 20.5212 20.5212 k = 0.5000 0.4983 0.3122 ( 1466 PWs) bands (ev): -6.5096 -6.5096 -5.8992 -5.8992 -2.8877 -2.8877 -0.9671 -0.9671 -0.3714 -0.3714 -0.0260 -0.0260 0.6225 0.6225 3.2409 3.2409 7.5385 7.5385 7.8890 7.8890 10.2290 10.2290 10.2662 10.2662 11.7685 11.7685 12.3730 12.3730 12.7076 12.7076 13.1499 13.1499 13.2751 13.2751 17.8174 17.8174 17.8662 17.8662 20.5212 20.5212 k = 0.5081 0.4903 0.3122 ( 1470 PWs) bands (ev): -6.5093 -6.5093 -5.9009 -5.9009 -2.8916 -2.8916 -0.9647 -0.9647 -0.3692 -0.3692 -0.0247 -0.0247 0.6276 0.6276 3.2430 3.2430 7.5336 7.5336 7.8881 7.8881 10.2274 10.2274 10.2654 10.2654 11.7646 11.7646 12.3717 12.3717 12.7024 12.7024 13.1526 13.1526 13.2741 13.2741 17.8210 17.8210 17.8674 17.8674 20.5174 20.5174 k = 0.5161 0.4822 0.3122 ( 1470 PWs) bands (ev): -6.5084 -6.5084 -5.9061 -5.9061 -2.9032 -2.9032 -0.9578 -0.9578 -0.3625 -0.3625 -0.0206 -0.0206 0.6426 0.6426 3.2492 3.2492 7.5188 7.5188 7.8854 7.8854 10.2226 10.2226 10.2631 10.2631 11.7532 11.7532 12.3678 12.3678 12.6869 12.6869 13.1607 13.1607 13.2711 13.2711 17.8318 17.8318 17.8711 17.8711 20.5063 20.5063 k = 0.5242 0.4741 0.3122 ( 1472 PWs) bands (ev): -6.5070 -6.5070 -5.9146 -5.9146 -2.9222 -2.9222 -0.9465 -0.9465 -0.3515 -0.3515 -0.0137 -0.0137 0.6676 0.6676 3.2596 3.2596 7.4943 7.4943 7.8809 7.8809 10.2146 10.2146 10.2592 10.2592 11.7344 11.7344 12.3614 12.3614 12.6612 12.6612 13.1741 13.1741 13.2661 13.2661 17.8497 17.8497 17.8772 17.8772 20.4879 20.4879 k = 0.5322 0.4660 0.3122 ( 1474 PWs) bands (ev): -6.5050 -6.5050 -5.9265 -5.9265 -2.9480 -2.9480 -0.9314 -0.9314 -0.3363 -0.3363 -0.0041 -0.0041 0.7024 0.7024 3.2741 3.2741 7.4605 7.4605 7.8747 7.8747 10.2036 10.2036 10.2539 10.2539 11.7081 11.7081 12.3526 12.3526 12.6256 12.6256 13.1926 13.1926 13.2591 13.2591 17.8743 17.8743 17.8857 17.8857 20.4624 20.4624 k = 0.5403 0.4579 0.3122 ( 1472 PWs) bands (ev): -6.5025 -6.5025 -5.9416 -5.9416 -2.9798 -2.9798 -0.9128 -0.9128 -0.3170 -0.3170 0.0084 0.0084 0.7467 0.7467 3.2928 3.2928 7.4173 7.4173 7.8667 7.8667 10.1897 10.1897 10.2470 10.2470 11.6745 11.6745 12.3415 12.3415 12.5804 12.5804 13.2160 13.2160 13.2500 13.2500 17.8962 17.8962 17.9058 17.9058 20.4301 20.4301 k = 0.5483 0.4498 0.3122 ( 1472 PWs) bands (ev): -6.4995 -6.4995 -5.9598 -5.9598 -3.0169 -3.0169 -0.8915 -0.8915 -0.2937 -0.2937 0.0237 0.0237 0.8004 0.8004 3.3157 3.3157 7.3653 7.3653 7.8568 7.8568 10.1730 10.1730 10.2387 10.2387 11.6337 11.6337 12.3282 12.3282 12.5260 12.5260 13.2388 13.2388 13.2438 13.2438 17.9093 17.9093 17.9429 17.9429 20.3913 20.3913 k = 0.5564 0.4418 0.3122 ( 1472 PWs) bands (ev): -6.4961 -6.4961 -5.9811 -5.9811 -3.0583 -3.0583 -0.8678 -0.8678 -0.2667 -0.2667 0.0420 0.0420 0.8632 0.8632 3.3427 3.3427 7.3048 7.3048 7.8451 7.8451 10.1536 10.1536 10.2289 10.2289 11.5862 11.5862 12.3129 12.3129 12.4628 12.4628 13.2255 13.2255 13.2759 13.2759 17.9244 17.9244 17.9856 17.9856 20.3463 20.3463 k = 0.5644 0.4337 0.3122 ( 1472 PWs) bands (ev): -6.4923 -6.4923 -6.0052 -6.0052 -3.1033 -3.1033 -0.8424 -0.8424 -0.2362 -0.2362 0.0633 0.0633 0.9345 0.9345 3.3739 3.3739 7.2363 7.2363 7.8316 7.8316 10.1318 10.1318 10.2178 10.2178 11.5319 11.5319 12.2957 12.2957 12.3913 12.3913 13.2100 13.2100 13.3117 13.3117 17.9415 17.9415 18.0334 18.0334 20.2956 20.2956 k = 0.5725 0.4256 0.3122 ( 1472 PWs) bands (ev): -6.4882 -6.4882 -6.0319 -6.0319 -3.1509 -3.1509 -0.8155 -0.8155 -0.2026 -0.2026 0.0877 0.0877 1.0141 1.0141 3.4092 3.4092 7.1603 7.1603 7.8162 7.8162 10.1077 10.1077 10.2051 10.2051 11.4713 11.4713 12.2766 12.2766 12.3119 12.3119 13.1925 13.1925 13.3510 13.3510 17.9604 17.9604 18.0855 18.0855 20.2395 20.2395 k = 0.5806 0.4175 0.3122 ( 1468 PWs) bands (ev): -6.4838 -6.4838 -6.0612 -6.0612 -3.2005 -3.2005 -0.7875 -0.7875 -0.1661 -0.1661 0.1154 0.1154 1.1015 1.1015 3.4486 3.4486 7.0774 7.0774 7.7989 7.7989 10.0814 10.0814 10.1911 10.1911 11.4045 11.4045 12.2251 12.2251 12.2560 12.2560 13.1729 13.1729 13.3934 13.3934 17.9811 17.9811 18.1415 18.1415 20.1787 20.1787 k = 0.5886 0.4094 0.3122 ( 1470 PWs) bands (ev): -6.4794 -6.4794 -6.0928 -6.0928 -3.2512 -3.2512 -0.7587 -0.7587 -0.1271 -0.1271 0.1464 0.1464 1.1962 1.1962 3.4922 3.4922 6.9879 6.9879 7.7796 7.7796 10.0532 10.0532 10.1758 10.1758 11.3320 11.3320 12.1316 12.1316 12.2338 12.2338 13.1512 13.1512 13.4384 13.4384 18.0033 18.0033 18.2005 18.2005 20.1137 20.1137 k = 0.4114-0.4128 0.5215 ( 1470 PWs) bands (ev): -6.4794 -6.4794 -6.0928 -6.0928 -3.2512 -3.2512 -0.7587 -0.7587 -0.1271 -0.1271 0.1464 0.1464 1.1962 1.1962 3.4922 3.4922 6.9879 6.9879 7.7796 7.7796 10.0532 10.0532 10.1758 10.1758 11.3320 11.3320 12.1316 12.1316 12.2338 12.2338 13.1512 13.1512 13.4384 13.4384 18.0033 18.0033 18.2005 18.2005 20.1137 20.1137 k = 0.4033-0.4047 0.5215 ( 1470 PWs) bands (ev): -6.4748 -6.4748 -6.1266 -6.1266 -3.3025 -3.3025 -0.7292 -0.7292 -0.0859 -0.0859 0.1810 0.1810 1.2979 1.2979 3.5399 3.5399 6.8924 6.8924 7.7583 7.7583 10.0231 10.0231 10.1591 10.1591 11.2540 11.2540 12.0317 12.0317 12.2102 12.2102 13.1274 13.1274 13.4859 13.4859 18.0270 18.0270 18.2621 18.2621 20.0450 20.0450 k = 0.3953-0.3966 0.5215 ( 1478 PWs) bands (ev): -6.4704 -6.4704 -6.1624 -6.1624 -3.3537 -3.3537 -0.6992 -0.6992 -0.0428 -0.0428 0.2192 0.2192 1.4060 1.4060 3.5918 3.5918 6.7915 6.7915 7.7351 7.7351 9.9912 9.9912 10.1410 10.1410 11.1707 11.1707 11.9259 11.9259 12.1853 12.1853 13.1017 13.1017 13.5355 13.5355 18.0518 18.0518 18.3255 18.3255 19.9733 19.9733 k = 0.3872-0.3885 0.5215 ( 1482 PWs) bands (ev): -6.4661 -6.4661 -6.1999 -6.1999 -3.4041 -3.4041 -0.6688 -0.6688 0.0019 0.0019 0.2611 0.2611 1.5200 1.5200 3.6476 3.6476 6.6859 6.6859 7.7098 7.7098 9.9577 9.9577 10.1216 10.1216 11.0827 11.0827 11.8150 11.8150 12.1593 12.1593 13.0740 13.0740 13.5868 13.5868 18.0777 18.0777 18.3902 18.3902 19.8992 19.8992 k = 0.3791-0.3804 0.5215 ( 1480 PWs) bands (ev): -6.4621 -6.4621 -6.2390 -6.2390 -3.4534 -3.4534 -0.6381 -0.6381 0.0479 0.0479 0.3067 0.3067 1.6396 1.6396 3.7075 3.7075 6.5760 6.5760 7.6824 7.6824 9.9228 9.9228 10.1010 10.1010 10.9902 10.9902 11.6993 11.6993 12.1322 12.1322 13.0445 13.0445 13.6396 13.6396 18.1046 18.1046 18.4555 18.4555 19.8235 19.8235 k = 0.3711-0.3723 0.5215 ( 1482 PWs) bands (ev): -6.4585 -6.4585 -6.2795 -6.2795 -3.5009 -3.5009 -0.6070 -0.6070 0.0950 0.0950 0.3560 0.3560 1.7642 1.7642 3.7714 3.7714 6.4624 6.4624 7.6530 7.6530 9.8864 9.8864 10.0790 10.0790 10.8937 10.8937 11.5795 11.5795 12.1042 12.1042 13.0131 13.0131 13.6936 13.6936 18.1320 18.1320 18.5210 18.5210 19.7466 19.7466 k = 0.3630-0.3642 0.5215 ( 1480 PWs) bands (ev): -6.4554 -6.4554 -6.3212 -6.3212 -3.5464 -3.5464 -0.5757 -0.5757 0.1432 0.1432 0.4090 0.4090 1.8934 1.8934 3.8393 3.8393 6.3457 6.3457 7.6214 7.6214 9.8486 9.8486 10.0557 10.0557 10.7935 10.7935 11.4560 11.4560 12.0754 12.0754 12.9799 12.9799 13.7486 13.7486 18.1600 18.1600 18.5860 18.5860 19.6694 19.6694 k = 0.3549-0.3561 0.5215 ( 1478 PWs) bands (ev): -6.4530 -6.4530 -6.3639 -6.3639 -3.5893 -3.5893 -0.5443 -0.5443 0.1924 0.1924 0.4654 0.4654 2.0270 2.0270 3.9110 3.9110 6.2263 6.2263 7.5876 7.5876 9.8095 9.8095 10.0310 10.0310 10.6901 10.6901 11.3295 11.3295 12.0458 12.0458 12.9450 12.9450 13.8043 13.8043 18.1883 18.1883 18.6503 18.6503 19.5924 19.5924 k = 0.3469-0.3480 0.5215 ( 1480 PWs) bands (ev): -6.4515 -6.4515 -6.4075 -6.4075 -3.6293 -3.6293 -0.5127 -0.5127 0.2427 0.2427 0.5250 0.5250 2.1645 2.1645 3.9865 3.9865 6.1048 6.1048 7.5515 7.5515 9.7690 9.7690 10.0046 10.0046 10.5838 10.5838 11.2005 11.2005 12.0155 12.0155 12.9085 12.9085 13.8606 13.8606 18.2167 18.2167 18.7135 18.7135 19.5161 19.5161 k = 0.3388-0.3399 0.5215 ( 1480 PWs) bands (ev): -6.4517 -6.4517 -6.4508 -6.4508 -3.6661 -3.6661 -0.4811 -0.4811 0.2940 0.2940 0.5877 0.5877 2.3057 2.3057 4.0657 4.0657 5.9817 5.9817 7.5133 7.5133 9.7269 9.7269 9.9764 9.9764 10.4752 10.4752 11.0697 11.0697 11.9847 11.9847 12.8704 12.8704 13.9172 13.9172 18.2450 18.2450 18.7752 18.7752 19.4411 19.4411 k = 0.3307-0.3318 0.5215 ( 1482 PWs) bands (ev): -6.4965 -6.4965 -6.4513 -6.4513 -3.6994 -3.6994 -0.4495 -0.4495 0.3465 0.3465 0.6531 0.6531 2.4501 2.4501 4.1484 4.1484 5.8575 5.8575 7.4727 7.4727 9.6831 9.6831 9.9462 9.9462 10.3648 10.3648 10.9377 10.9377 11.9533 11.9533 12.8307 12.8307 13.9741 13.9741 18.2731 18.2731 18.8352 18.8352 19.3680 19.3680 k = 0.3227-0.3237 0.5215 ( 1484 PWs) bands (ev): -6.5417 -6.5417 -6.4529 -6.4529 -3.7290 -3.7290 -0.4180 -0.4180 0.4004 0.4004 0.7210 0.7210 2.5975 2.5975 4.2347 4.2347 5.7328 5.7328 7.4299 7.4299 9.6373 9.6373 9.9134 9.9134 10.2535 10.2535 10.8057 10.8057 11.9214 11.9214 12.7896 12.7896 14.0309 14.0309 18.3008 18.3008 18.8934 18.8934 19.2971 19.2971 k = 0.3146-0.3156 0.5215 ( 1482 PWs) bands (ev): -6.5871 -6.5871 -6.4558 -6.4558 -3.7545 -3.7545 -0.3868 -0.3868 0.4556 0.4556 0.7912 0.7912 2.7476 2.7476 4.3243 4.3243 5.6079 5.6079 7.3847 7.3847 9.5887 9.5887 9.8772 9.8772 10.1422 10.1422 10.6746 10.6746 11.8891 11.8891 12.7472 12.7472 14.0876 14.0876 18.3279 18.3279 18.9496 18.9496 19.2289 19.2289 k = 0.3065-0.3075 0.5215 ( 1482 PWs) bands (ev): -6.6327 -6.6327 -6.4600 -6.4600 -3.7758 -3.7758 -0.3560 -0.3560 0.5124 0.5124 0.8634 0.8634 2.9000 2.9000 4.4171 4.4171 5.4836 5.4836 7.3372 7.3372 9.5366 9.5366 9.8366 9.8366 10.0322 10.0322 10.5461 10.5461 11.8564 11.8564 12.7035 12.7035 14.1441 14.1441 18.3541 18.3541 19.0037 19.0037 19.1638 19.1638 k = 0.2985-0.2994 0.5215 ( 1480 PWs) bands (ev): -6.6782 -6.6782 -6.4657 -6.4657 -3.7926 -3.7926 -0.3258 -0.3258 0.5707 0.5707 0.9375 0.9375 3.0546 3.0546 4.5130 4.5130 5.3602 5.3602 7.2873 7.2873 9.4793 9.4793 9.7897 9.7897 9.9253 9.9253 10.4221 10.4221 11.8233 11.8233 12.6586 12.6586 14.2003 14.2003 18.3794 18.3794 19.0557 19.0557 19.1023 19.1023 k = 0.2904-0.2914 0.5215 ( 1480 PWs) bands (ev): -6.7235 -6.7235 -6.4729 -6.4729 -3.8050 -3.8050 -0.2964 -0.2964 0.6307 0.6307 1.0133 1.0133 3.2108 3.2108 4.6117 4.6117 5.2384 5.2384 7.2350 7.2350 9.4151 9.4151 9.7342 9.7342 9.8238 9.8238 10.3055 10.3055 11.7899 11.7899 12.6127 12.6127 14.2559 14.2559 18.4035 18.4035 19.0444 19.0444 19.1055 19.1055 k = 0.2823-0.2833 0.5215 ( 1474 PWs) bands (ev): -6.7686 -6.7686 -6.4816 -6.4816 -3.8127 -3.8127 -0.2679 -0.2679 0.6923 0.6923 1.0908 1.0908 3.3684 3.3684 4.7130 4.7130 5.1189 5.1189 7.1803 7.1803 9.3415 9.3415 9.6672 9.6672 9.7303 9.7303 10.1996 10.1996 11.7561 11.7561 12.5658 12.5658 14.3109 14.3109 18.4263 18.4263 18.9907 18.9907 19.1532 19.1532 k = 0.2743-0.2752 0.5215 ( 1480 PWs) bands (ev): -6.8133 -6.8133 -6.4917 -6.4917 -3.8157 -3.8157 -0.2407 -0.2407 0.7556 0.7556 1.1696 1.1696 3.5268 3.5268 4.8167 4.8167 5.0023 5.0023 7.1232 7.1232 9.2569 9.2569 9.5860 9.5860 9.6468 9.6468 10.1072 10.1072 11.7220 11.7220 12.5181 12.5181 14.3652 14.3652 18.4474 18.4474 18.9414 18.9414 19.1986 19.1986 k = 0.2662-0.2671 0.5215 ( 1482 PWs) bands (ev): -6.8576 -6.8576 -6.5034 -6.5034 -3.8140 -3.8140 -0.2150 -0.2150 0.8207 0.8207 1.2498 1.2498 3.6851 3.6851 4.8895 4.8895 4.9227 4.9227 7.0637 7.0637 9.1612 9.1612 9.4898 9.4898 9.5740 9.5740 10.0295 10.0295 11.6875 11.6875 12.4697 12.4697 14.4187 14.4187 18.4666 18.4666 18.8968 18.8968 19.2418 19.2418 k = 0.2581-0.2590 0.5215 ( 1482 PWs) bands (ev): -6.9013 -6.9013 -6.5165 -6.5165 -3.8076 -3.8076 -0.1912 -0.1912 0.8876 0.8876 1.3313 1.3313 3.8422 3.8422 4.7826 4.7826 5.0302 5.0302 7.0019 7.0019 9.0556 9.0556 9.3801 9.3801 9.5107 9.5107 9.9655 9.9655 11.6526 11.6526 12.4207 12.4207 14.4713 14.4713 18.4837 18.4837 18.8572 18.8572 19.2830 19.2830 k = 0.2501-0.2509 0.5215 ( 1482 PWs) bands (ev): -6.9444 -6.9444 -6.5309 -6.5309 -3.7965 -3.7965 -0.1696 -0.1696 0.9562 0.9562 1.4140 1.4140 3.9952 3.9952 4.6843 4.6843 5.1394 5.1394 6.9378 6.9378 8.9427 8.9427 9.2599 9.2599 9.4550 9.4550 9.9125 9.9125 11.6174 11.6174 12.3712 12.3712 14.5229 14.5229 18.4982 18.4982 18.8230 18.8230 19.3222 19.3222 k = 0.2420-0.2428 0.5215 ( 1478 PWs) bands (ev): -6.9868 -6.9868 -6.5466 -6.5466 -3.7807 -3.7807 -0.1505 -0.1505 1.0266 1.0266 1.4978 1.4978 4.1359 4.1359 4.6029 4.6029 5.2497 5.2497 6.8714 6.8714 8.8245 8.8245 9.1323 9.1323 9.4050 9.4050 9.8676 9.8676 11.5818 11.5818 12.3213 12.3213 14.5734 14.5734 18.5096 18.5096 18.7945 18.7945 19.3592 19.3592 k = 0.2339-0.2347 0.5215 ( 1478 PWs) bands (ev): -7.0283 -7.0283 -6.5635 -6.5635 -3.7604 -3.7604 -0.1343 -0.1343 1.0987 1.0987 1.5828 1.5828 4.2375 4.2375 4.5658 4.5658 5.3607 5.3607 6.8029 6.8029 8.7029 8.7029 9.0000 9.0000 9.3592 9.3592 9.8287 9.8287 11.5457 11.5457 12.2713 12.2713 14.6228 14.6228 18.5175 18.5175 18.7721 18.7721 19.3942 19.3942 k = 0.2259-0.2266 0.5215 ( 1476 PWs) bands (ev): -7.0690 -7.0690 -6.5813 -6.5813 -3.7357 -3.7357 -0.1215 -0.1215 1.1727 1.1727 1.6687 1.6687 4.2521 4.2521 4.6207 4.6207 5.4717 5.4717 6.7325 6.7325 8.5793 8.5793 8.8648 8.8648 9.3168 9.3168 9.7943 9.7943 11.5092 11.5092 12.2211 12.2211 14.6709 14.6709 18.5216 18.5216 18.7560 18.7560 19.4273 19.4273 k = 0.2178-0.2185 0.5215 ( 1468 PWs) bands (ev): -7.1087 -7.1087 -6.6001 -6.6001 -3.7066 -3.7066 -0.1125 -0.1125 1.2483 1.2483 1.7557 1.7557 4.2033 4.2033 4.7443 4.7443 5.5820 5.5820 6.6603 6.6603 8.4550 8.4550 8.7283 8.7283 9.2770 9.2770 9.7632 9.7632 11.4722 11.4722 12.1710 12.1710 14.7179 14.7179 18.5219 18.5219 18.7462 18.7462 19.4584 19.4584 k = 0.2097-0.2104 0.5215 ( 1470 PWs) bands (ev): -7.1474 -7.1474 -6.6195 -6.6195 -3.6734 -3.6734 -0.1077 -0.1077 1.3257 1.3257 1.8437 1.8437 4.1376 4.1376 4.8900 4.8900 5.6906 5.6906 6.5870 6.5870 8.3307 8.3307 8.5916 8.5916 9.2394 9.2394 9.7350 9.7350 11.4345 11.4345 12.1209 12.1209 14.7632 14.7632 18.5185 18.5185 18.7420 18.7420 19.4873 19.4873 k = 0.2017-0.2023 0.5215 ( 1474 PWs) bands (ev): -7.1851 -7.1851 -6.6396 -6.6396 -3.6362 -3.6362 -0.1075 -0.1075 1.4048 1.4048 1.9327 1.9327 4.0710 4.0710 5.0418 5.0418 5.7959 5.7959 6.5133 6.5133 8.2075 8.2075 8.4558 8.4558 9.2039 9.2039 9.7091 9.7091 11.3962 11.3962 12.0711 12.0711 14.8071 14.8071 18.5123 18.5123 18.7426 18.7426 19.5141 19.5141 k = 0.1936-0.1942 0.5215 ( 1476 PWs) bands (ev): -7.2217 -7.2217 -6.6601 -6.6601 -3.5951 -3.5951 -0.1123 -0.1123 1.4856 1.4856 2.0226 2.0226 4.0085 4.0085 5.1942 5.1942 5.8952 5.8952 6.4414 6.4414 8.0863 8.0863 8.3217 8.3217 9.1702 9.1702 9.6855 9.6855 11.3572 11.3572 12.0216 12.0216 14.8494 14.8494 18.5039 18.5039 18.7471 18.7471 19.5387 19.5387 k = 0.1855-0.1861 0.5215 ( 1476 PWs) bands (ev): -7.2571 -7.2571 -6.6809 -6.6809 -3.5502 -3.5502 -0.1225 -0.1225 1.5680 1.5680 2.1134 2.1134 3.9524 3.9524 5.3444 5.3444 5.9822 5.9822 6.3764 6.3764 7.9684 7.9684 8.1907 8.1907 9.1382 9.1382 9.6640 9.6640 11.3175 11.3175 11.9725 11.9725 14.8900 14.8900 18.4941 18.4941 18.7546 18.7546 19.5610 19.5610 k = 0.1775-0.1781 0.5215 ( 1472 PWs) bands (ev): -7.2913 -7.2913 -6.7018 -6.7018 -3.5018 -3.5018 -0.1384 -0.1384 1.6520 1.6520 2.2051 2.2051 3.9037 3.9037 5.4902 5.4902 6.0413 6.0413 6.3325 6.3325 7.8550 7.8550 8.0639 8.0639 9.1081 9.1081 9.6446 9.6446 11.2768 11.2768 11.9239 11.9239 14.9291 14.9291 18.4831 18.4831 18.7647 18.7647 19.5808 19.5808 k = 0.1694-0.1700 0.5215 ( 1470 PWs) bands (ev): -7.3242 -7.3242 -6.7228 -6.7228 -3.4500 -3.4500 -0.1601 -0.1601 1.7376 1.7376 2.2976 2.2976 3.8633 3.8633 5.6291 5.6291 6.0462 6.0462 6.3342 6.3342 7.7482 7.7482 7.9431 7.9431 9.0797 9.0797 9.6273 9.6273 11.2352 11.2352 11.8759 11.8759 14.9663 14.9663 18.4710 18.4710 18.7768 18.7768 19.5976 19.5976 k = 0.1613-0.1619 0.5215 ( 1468 PWs) bands (ev): -7.3558 -7.3558 -6.7436 -6.7436 -3.3949 -3.3949 -0.1879 -0.1879 1.8247 1.8247 2.3910 2.3910 3.8314 3.8314 5.7583 5.7583 5.9985 5.9985 6.3772 6.3772 7.6506 7.6506 7.8308 7.8308 9.0531 9.0531 9.6122 9.6122 11.1926 11.1926 11.8284 11.8284 15.0017 15.0017 18.4577 18.4577 18.7909 18.7909 19.6112 19.6112 k = 0.1533-0.1538 0.5215 ( 1474 PWs) bands (ev): -7.3861 -7.3861 -6.7641 -6.7641 -3.3368 -3.3368 -0.2218 -0.2218 1.9133 1.9133 2.4851 2.4851 3.8084 3.8084 5.8739 5.8739 5.9258 5.9258 6.4306 6.4306 7.5657 7.5657 7.7303 7.7303 9.0284 9.0284 9.5994 9.5994 11.1489 11.1489 11.7817 11.7817 15.0351 15.0351 18.4432 18.4432 18.8067 18.8067 19.6208 19.6208 k = 0.1452-0.1457 0.5215 ( 1474 PWs) bands (ev): -7.4151 -7.4151 -6.7842 -6.7842 -3.2759 -3.2759 -0.2617 -0.2617 2.0033 2.0033 2.5798 2.5798 3.7943 3.7943 5.8424 5.8424 5.9708 5.9708 6.4753 6.4753 7.4983 7.4983 7.6461 7.6461 9.0056 9.0056 9.5890 9.5890 11.1039 11.1039 11.7356 11.7356 15.0667 15.0667 18.4273 18.4273 18.8242 18.8242 19.6259 19.6259 k = 0.1371-0.1376 0.5215 ( 1474 PWs) bands (ev): -7.4426 -7.4426 -6.8038 -6.8038 -3.2122 -3.2122 -0.3075 -0.3075 2.0947 2.0947 2.6752 2.6752 3.7892 3.7892 5.7537 5.7537 6.0432 6.0432 6.5006 6.5006 7.4537 7.4537 7.5834 7.5834 8.9850 8.9850 9.5811 9.5811 11.0577 11.0577 11.6904 11.6904 15.0962 15.0962 18.4099 18.4099 18.8433 18.8433 19.6255 19.6255 k = 0.1291-0.1295 0.5215 ( 1474 PWs) bands (ev): -7.4687 -7.4687 -6.8229 -6.8229 -3.1459 -3.1459 -0.3589 -0.3589 2.1873 2.1873 2.7711 2.7711 3.7929 3.7929 5.6617 5.6617 6.0858 6.0858 6.5001 6.5001 7.4371 7.4371 7.5465 7.5465 8.9668 8.9668 9.5759 9.5759 11.0101 11.0101 11.6460 11.6460 15.1238 15.1238 18.3909 18.3909 18.8639 18.8639 19.6185 19.6185 k = 0.1210-0.1214 0.5215 ( 1478 PWs) bands (ev): -7.4934 -7.4934 -6.8412 -6.8412 -3.0773 -3.0773 -0.4155 -0.4155 2.2811 2.2811 2.8673 2.8673 3.8053 3.8053 5.5675 5.5675 6.0957 6.0957 6.4714 6.4714 7.4506 7.4506 7.5363 7.5363 8.9510 8.9510 9.5734 9.5734 10.9611 10.9611 11.6025 11.6025 15.1493 15.1493 18.3703 18.3703 18.8857 18.8857 19.6038 19.6038 k = 0.1129-0.1133 0.5215 ( 1470 PWs) bands (ev): -7.5165 -7.5165 -6.8587 -6.8587 -3.0065 -3.0065 -0.4770 -0.4770 2.3761 2.3761 2.9637 2.9637 3.8259 3.8259 5.4718 5.4718 6.0744 6.0744 6.4171 6.4171 7.4923 7.4923 7.5495 7.5495 8.9381 8.9381 9.5738 9.5738 10.9106 10.9106 11.5600 11.5600 15.1729 15.1729 18.3482 18.3482 18.9087 18.9087 19.5806 19.5806 k = 0.1049-0.1052 0.5215 ( 1478 PWs) bands (ev): -7.5382 -7.5382 -6.8753 -6.8753 -2.9338 -2.9338 -0.5430 -0.5430 2.4721 2.4721 3.0600 3.0600 3.8544 3.8544 5.3751 5.3751 6.0270 6.0270 6.3427 6.3427 7.5564 7.5564 7.5801 7.5801 8.9282 8.9282 9.5770 9.5770 10.8586 10.8586 11.5185 11.5185 15.1943 15.1943 18.3248 18.3248 18.9324 18.9324 19.5486 19.5486 k = 0.0968-0.0971 0.5215 ( 1482 PWs) bands (ev): -7.5584 -7.5584 -6.8910 -6.8910 -2.8593 -2.8593 -0.6128 -0.6128 2.5689 2.5689 3.1558 3.1558 3.8905 3.8905 5.2778 5.2778 5.9598 5.9598 6.2542 6.2542 7.6215 7.6215 7.6359 7.6359 8.9221 8.9221 9.5831 9.5831 10.8052 10.8052 11.4782 11.4782 15.2137 15.2137 18.3002 18.3002 18.9565 18.9565 19.5087 19.5087 k = 0.0887-0.0890 0.5215 ( 1480 PWs) bands (ev): -7.5770 -7.5770 -6.9057 -6.9057 -2.7833 -2.7833 -0.6859 -0.6859 2.6666 2.6666 3.2508 3.2508 3.9337 3.9337 5.1806 5.1806 5.8786 5.8786 6.1566 6.1566 7.6688 7.6688 7.7238 7.7238 8.9200 8.9200 9.5919 9.5919 10.7504 10.7504 11.4392 11.4392 15.2311 15.2311 18.2751 18.2751 18.9808 18.9808 19.4625 19.4625 k = 0.0807-0.0809 0.5215 ( 1478 PWs) bands (ev): -7.5940 -7.5940 -6.9192 -6.9192 -2.7061 -2.7061 -0.7617 -0.7617 2.7648 2.7648 3.3443 3.3443 3.9836 3.9836 5.0840 5.0840 5.7878 5.7878 6.0536 6.0536 7.7178 7.7178 7.8148 7.8148 8.9228 8.9228 9.6032 9.6032 10.6946 10.6946 11.4018 11.4018 15.2467 15.2467 18.2496 18.2496 19.0048 19.0048 19.4123 19.4123 k = 0.0726-0.0728 0.5215 ( 1482 PWs) bands (ev): -7.6094 -7.6094 -6.9317 -6.9317 -2.6282 -2.6282 -0.8394 -0.8394 2.8634 2.8634 3.4353 3.4353 4.0397 4.0397 4.9889 4.9889 5.6907 5.6907 5.9480 5.9480 7.7660 7.7660 7.9041 7.9041 8.9309 8.9309 9.6166 9.6166 10.6380 10.6380 11.3661 11.3661 15.2603 15.2603 18.2243 18.2243 19.0281 19.0281 19.3605 19.3605 k = 0.0645-0.0647 0.5215 ( 1484 PWs) bands (ev): -7.6233 -7.6233 -6.9429 -6.9429 -2.5499 -2.5499 -0.9184 -0.9184 2.9622 2.9622 3.5225 3.5225 4.1017 4.1017 4.8962 4.8962 5.5896 5.5896 5.8421 5.8421 7.8115 7.8115 7.9883 7.9883 8.9449 8.9449 9.6317 9.6317 10.5810 10.5810 11.3325 11.3325 15.2721 15.2721 18.1997 18.1997 19.0503 19.0503 19.3092 19.3092 k = 0.0565-0.0567 0.5215 ( 1484 PWs) bands (ev): -7.6356 -7.6356 -6.9530 -6.9530 -2.4719 -2.4719 -0.9977 -0.9977 3.0607 3.0607 3.6041 3.6041 4.1690 4.1690 4.8075 4.8075 5.4862 5.4862 5.7378 5.7378 7.8531 7.8531 8.0643 8.0643 8.9651 8.9651 9.6478 9.6478 10.5244 10.5244 11.3013 11.3013 15.2823 15.2823 18.1763 18.1763 19.0711 19.0711 19.2604 19.2604 k = 0.0484-0.0486 0.5215 ( 1484 PWs) bands (ev): -7.6462 -7.6462 -6.9617 -6.9617 -2.3950 -2.3950 -1.0761 -1.0761 3.1587 3.1587 3.6773 3.6773 4.2413 4.2413 4.7251 4.7251 5.3817 5.3817 5.6368 5.6368 7.8899 7.8899 8.1302 8.1302 8.9912 8.9912 9.6643 9.6643 10.4692 10.4692 11.2728 11.2728 15.2908 15.2908 18.1547 18.1547 19.0900 19.0900 19.2156 19.2156 k = 0.0403-0.0405 0.5215 ( 1490 PWs) bands (ev): -7.6553 -7.6553 -6.9692 -6.9692 -2.3206 -2.3206 -1.1523 -1.1523 3.2554 3.2554 3.7380 3.7380 4.3180 4.3180 4.6519 4.6519 5.2772 5.2772 5.5413 5.5413 7.9214 7.9214 8.1848 8.1848 9.0218 9.0218 9.6803 9.6803 10.4166 10.4166 11.2475 11.2475 15.2978 15.2978 18.1354 18.1354 19.1067 19.1067 19.1758 19.1758 k = 0.0323-0.0324 0.5215 ( 1488 PWs) bands (ev): -7.6627 -7.6627 -6.9753 -6.9753 -2.2504 -2.2504 -1.2241 -1.2241 3.3500 3.3500 3.7811 3.7811 4.3989 4.3989 4.5919 4.5919 5.1733 5.1733 5.4540 5.4540 7.9474 7.9474 8.2279 8.2279 9.0547 9.0547 9.6950 9.6950 10.3685 10.3685 11.2260 11.2260 15.3034 15.3034 18.1189 18.1189 19.1208 19.1208 19.1423 19.1423 k = 0.0242-0.0243 0.5215 ( 1490 PWs) bands (ev): -7.6684 -7.6684 -6.9801 -6.9801 -2.1874 -2.1874 -1.2886 -1.2886 3.4411 3.4411 3.8013 3.8013 4.4831 4.4831 4.5487 4.5487 5.0709 5.0709 5.3781 5.3781 7.9677 7.9677 8.2599 8.2599 9.0863 9.0863 9.7075 9.7075 10.3270 10.3270 11.2086 11.2086 15.3076 15.3076 18.1055 18.1055 19.1155 19.1155 19.1321 19.1321 k = 0.0161-0.0162 0.5215 ( 1490 PWs) bands (ev): -7.6725 -7.6725 -6.9836 -6.9836 -2.1357 -2.1357 -1.3415 -1.3415 3.5260 3.5260 3.7960 3.7960 4.5232 4.5232 4.5699 4.5699 4.9713 4.9713 5.3183 5.3183 7.9822 7.9822 8.2818 8.2818 9.1129 9.1129 9.7170 9.7170 10.2947 10.2947 11.1958 11.1958 15.3106 15.3106 18.0957 18.0957 19.0960 19.0960 19.1403 19.1403 k = 0.0081-0.0081 0.5215 ( 1490 PWs) bands (ev): -7.6750 -7.6750 -6.9856 -6.9856 -2.1008 -2.1008 -1.3770 -1.3770 3.5985 3.5985 3.7702 3.7702 4.5120 4.5120 4.6554 4.6554 4.8779 4.8779 5.2793 5.2793 7.9909 7.9909 8.2945 8.2945 9.1307 9.1307 9.7230 9.7230 10.2740 10.2740 11.1880 11.1880 15.3123 15.3123 18.0898 18.0898 19.0842 19.0842 19.1453 19.1453 k = 0.0000 0.0000 0.5215 ( 1494 PWs) bands (ev): -7.6758 -7.6758 -6.9863 -6.9863 -2.0884 -2.0884 -1.3897 -1.3897 3.6346 3.6346 3.7493 3.7493 4.5092 4.5092 4.7103 4.7103 4.8203 4.8203 5.2658 5.2658 7.9938 7.9938 8.2987 8.2987 9.1370 9.1370 9.7251 9.7251 10.2669 10.2669 11.1854 11.1854 15.3129 15.3129 18.0877 18.0877 19.0802 19.0802 19.1469 19.1469 k = 0.0000 0.0000 0.5215 ( 1494 PWs) bands (ev): -7.6758 -7.6758 -6.9863 -6.9863 -2.0884 -2.0884 -1.3897 -1.3897 3.6346 3.6346 3.7493 3.7493 4.5092 4.5092 4.7103 4.7103 4.8203 4.8203 5.2658 5.2658 7.9938 7.9938 8.2987 8.2987 9.1370 9.1370 9.7251 9.7251 10.2669 10.2669 11.1854 11.1854 15.3129 15.3129 18.0877 18.0877 19.0802 19.0802 19.1469 19.1469 k = 0.0080 0.0079 0.5215 ( 1490 PWs) bands (ev): -7.6752 -7.6752 -6.9856 -6.9856 -2.0898 -2.0898 -1.3921 -1.3921 3.6373 3.6373 3.7506 3.7506 4.4831 4.4831 4.7393 4.7393 4.8023 4.8023 5.2843 5.2843 7.9856 7.9856 8.2977 8.2977 9.1379 9.1379 9.7260 9.7260 10.2541 10.2541 11.2041 11.2041 15.3067 15.3067 18.0917 18.0917 19.0591 19.0591 19.1738 19.1738 k = 0.0159 0.0159 0.5215 ( 1490 PWs) bands (ev): -7.6731 -7.6731 -6.9836 -6.9836 -2.0941 -2.0941 -1.3992 -1.3992 3.6452 3.6452 3.7540 3.7540 4.4289 4.4289 4.7550 4.7550 4.8027 4.8027 5.3329 5.3329 7.9612 7.9612 8.2949 8.2949 9.1405 9.1405 9.7288 9.7288 10.2194 10.2194 11.2566 11.2566 15.2883 15.2883 18.1030 18.1030 19.0265 19.0265 19.2235 19.2235 k = 0.0239 0.0238 0.5215 ( 1487 PWs) bands (ev): -7.6696 -7.6696 -6.9802 -6.9802 -2.1012 -2.1012 -1.4111 -1.4111 3.6582 3.6582 3.7579 3.7579 4.3705 4.3705 4.6909 4.6909 4.8781 4.8781 5.3995 5.3995 7.9209 7.9209 8.2903 8.2903 9.1449 9.1449 9.7336 9.7336 10.1703 10.1703 11.3348 11.3348 15.2587 15.2587 18.1205 18.1205 18.9980 18.9980 19.2812 19.2812 k = 0.0319 0.0318 0.5215 ( 1485 PWs) bands (ev): -7.6648 -7.6648 -6.9754 -6.9754 -2.1110 -2.1110 -1.4275 -1.4275 3.6762 3.6762 3.7592 3.7592 4.3180 4.3180 4.6180 4.6180 4.9582 4.9582 5.4757 5.4757 7.8651 7.8651 8.2839 8.2839 9.1511 9.1511 9.7401 9.7401 10.1146 10.1146 11.4300 11.4300 15.2193 15.2193 18.1422 18.1422 18.9768 18.9768 19.3444 19.3444 k = 0.0398 0.0397 0.5215 ( 1483 PWs) bands (ev): -7.6587 -7.6587 -6.9693 -6.9693 -2.1235 -2.1235 -1.4482 -1.4482 3.6985 3.6985 3.7536 3.7536 4.2781 4.2781 4.5412 4.5412 5.0406 5.0406 5.5571 5.5571 7.7945 7.7945 8.2758 8.2758 9.1590 9.1590 9.7486 9.7486 10.0580 10.0580 11.5355 11.5355 15.1717 15.1717 18.1657 18.1657 18.9644 18.9644 19.4126 19.4126 k = 0.0478 0.0476 0.5215 ( 1488 PWs) bands (ev): -7.6511 -7.6511 -6.9619 -6.9619 -2.1385 -2.1385 -1.4732 -1.4732 3.7246 3.7246 3.7362 3.7362 4.2566 4.2566 4.4631 4.4631 5.1242 5.1242 5.6411 5.6411 7.7103 7.7103 8.2659 8.2659 9.1687 9.1687 9.7588 9.7588 10.0042 10.0042 11.6459 11.6459 15.1181 15.1181 18.1885 18.1885 18.9622 18.9622 19.4854 19.4854 k = 0.0557 0.0556 0.5215 ( 1489 PWs) bands (ev): -7.6422 -7.6422 -6.9531 -6.9531 -2.1559 -2.1559 -1.5021 -1.5021 3.7040 3.7040 3.7537 3.7537 4.2567 4.2567 4.3857 4.3857 5.2082 5.2082 5.7264 5.7264 7.6140 7.6140 8.2544 8.2544 9.1801 9.1801 9.7709 9.7709 9.9551 9.9551 11.7572 11.7572 15.0607 15.0607 18.2087 18.2087 18.9710 18.9710 19.5627 19.5627 k = 0.0637 0.0635 0.5215 ( 1483 PWs) bands (ev): -7.6320 -7.6320 -6.9431 -6.9431 -2.1754 -2.1754 -1.5347 -1.5347 3.6577 3.6577 3.7839 3.7839 4.2781 4.2781 4.3111 4.3111 5.2924 5.2924 5.8120 5.8120 7.5072 7.5072 8.2411 8.2411 9.1933 9.1933 9.7847 9.7847 9.9119 9.9119 11.8662 11.8662 15.0018 15.0018 18.2245 18.2245 18.9910 18.9910 19.6444 19.6444 k = 0.0717 0.0714 0.5215 ( 1480 PWs) bands (ev): -7.6204 -7.6204 -6.9317 -6.9317 -2.1970 -2.1970 -1.5707 -1.5707 3.6001 3.6001 3.8122 3.8122 4.2422 4.2422 4.3178 4.3178 5.3763 5.3763 5.8969 5.8969 7.3919 7.3919 8.2263 8.2263 9.2082 9.2082 9.8003 9.8003 9.8746 9.8746 11.9699 11.9699 14.9436 14.9436 18.2356 18.2356 19.0215 19.0215 19.7300 19.7300 k = 0.0796 0.0794 0.5215 ( 1478 PWs) bands (ev): -7.6075 -7.6075 -6.9192 -6.9192 -2.2204 -2.2204 -1.6097 -1.6097 3.5348 3.5348 3.8330 3.8330 4.1847 4.1847 4.3721 4.3721 5.4599 5.4599 5.9803 5.9803 7.2702 7.2702 8.2098 8.2098 9.2249 9.2249 9.8176 9.8176 9.8433 9.8433 12.0658 12.0658 14.8886 14.8886 18.2423 18.2423 19.0612 19.0612 19.7609 19.7609 k = 0.0876 0.0873 0.5215 ( 1482 PWs) bands (ev): -7.5933 -7.5933 -6.9055 -6.9055 -2.2455 -2.2455 -1.6516 -1.6516 3.4643 3.4643 3.8366 3.8366 4.1478 4.1478 4.4382 4.4382 5.5429 5.5429 6.0610 6.0610 7.1449 7.1449 8.1918 8.1918 9.2432 9.2432 9.8169 9.8169 9.8369 9.8369 12.1513 12.1513 14.8389 14.8389 18.2456 18.2456 19.1084 19.1084 19.7120 19.7120 k = 0.0956 0.0953 0.5215 ( 1482 PWs) bands (ev): -7.5779 -7.5779 -6.8906 -6.8906 -2.2719 -2.2719 -1.6960 -1.6960 3.3908 3.3908 3.8141 3.8141 4.1395 4.1395 4.5140 4.5140 5.6251 5.6251 6.1374 6.1374 7.0191 7.0191 8.1723 8.1723 9.2633 9.2633 9.7960 9.7960 9.8575 9.8575 12.2241 12.2241 14.7968 14.7968 18.2469 18.2469 19.1612 19.1612 19.6639 19.6639 k = 0.1035 0.1032 0.5215 ( 1476 PWs) bands (ev): -7.5611 -7.5611 -6.8746 -6.8746 -2.2996 -2.2996 -1.7427 -1.7427 3.3154 3.3154 3.7681 3.7681 4.1567 4.1567 4.5981 4.5981 5.7064 5.7064 6.2062 6.2062 6.8977 6.8977 8.1514 8.1514 9.2852 9.2852 9.7795 9.7795 9.8797 9.8797 12.2823 12.2823 14.7641 14.7641 18.2473 18.2473 19.2182 19.2182 19.6169 19.6169 k = 0.1115 0.1111 0.5215 ( 1474 PWs) bands (ev): -7.5431 -7.5431 -6.8575 -6.8575 -2.3282 -2.3282 -1.7912 -1.7912 3.2389 3.2389 3.7078 3.7078 4.1888 4.1888 4.6892 4.6892 5.7868 5.7868 6.2609 6.2609 6.7890 6.7890 8.1293 8.1293 9.3086 9.3086 9.7669 9.7669 9.9035 9.9035 12.3244 12.3244 14.7422 14.7422 18.2481 18.2481 19.2779 19.2779 19.5713 19.5713 k = 0.1195 0.1191 0.5215 ( 1478 PWs) bands (ev): -7.5238 -7.5238 -6.8394 -6.8394 -2.3575 -2.3575 -1.8415 -1.8415 3.1619 3.1619 3.6405 3.6405 4.2269 4.2269 4.7868 4.7868 5.8659 5.8659 6.2873 6.2873 6.7090 6.7090 8.1061 8.1061 9.3338 9.3338 9.7579 9.7579 9.9287 9.9287 12.3494 12.3494 14.7318 14.7318 18.2503 18.2503 19.3394 19.3394 19.5273 19.5273 k = 0.1274 0.1270 0.5215 ( 1478 PWs) bands (ev): -7.5033 -7.5033 -6.8203 -6.8203 -2.3874 -2.3874 -1.8931 -1.8931 3.0849 3.0849 3.5700 3.5700 4.2651 4.2651 4.8900 4.8900 5.9439 5.9439 6.2681 6.2681 6.6774 6.6774 8.0821 8.0821 9.3606 9.3606 9.7520 9.7520 9.9554 9.9554 12.3573 12.3573 14.7330 14.7330 18.2547 18.2547 19.4019 19.4019 19.4850 19.4850 k = 0.1354 0.1349 0.5215 ( 1480 PWs) bands (ev): -7.4816 -7.4816 -6.8003 -6.8003 -2.4176 -2.4176 -1.9459 -1.9459 3.0081 3.0081 3.4984 3.4984 4.2989 4.2989 4.9985 4.9985 6.0205 6.0205 6.2073 6.2073 6.6928 6.6928 8.0576 8.0576 9.3891 9.3891 9.7490 9.7490 9.9834 9.9834 12.3488 12.3488 14.7449 14.7449 18.2619 18.2619 19.4447 19.4447 19.4650 19.4650 k = 0.1434 0.1429 0.5215 ( 1474 PWs) bands (ev): -7.4588 -7.4588 -6.7795 -6.7795 -2.4478 -2.4478 -1.9996 -1.9996 2.9318 2.9318 3.4265 3.4265 4.3241 4.3241 5.1118 5.1118 6.0957 6.0957 6.1300 6.1300 6.7334 6.7334 8.0332 8.0332 9.4192 9.4192 9.7484 9.7484 10.0127 10.0127 12.3251 12.3251 14.7661 14.7661 18.2726 18.2726 19.4065 19.4065 19.5282 19.5282 k = 0.1513 0.1508 0.5215 ( 1474 PWs) bands (ev): -7.4348 -7.4348 -6.7578 -6.7578 -2.4779 -2.4779 -2.0540 -2.0540 2.8561 2.8561 3.3551 3.3551 4.3360 4.3360 5.2294 5.2294 6.0555 6.0555 6.1694 6.1694 6.7829 6.7829 8.0092 8.0092 9.4510 9.4510 9.7502 9.7502 10.0431 10.0431 12.2880 12.2880 14.7947 14.7947 18.2870 18.2870 19.3703 19.3703 19.5912 19.5912 k = 0.1593 0.1588 0.5215 ( 1472 PWs) bands (ev): -7.4097 -7.4097 -6.7355 -6.7355 -2.5076 -2.5076 -2.1090 -2.1090 2.7813 2.7813 3.2844 3.2844 4.3304 4.3304 5.3511 5.3511 5.9953 5.9953 6.2416 6.2416 6.8334 6.8334 7.9864 7.9864 9.4843 9.4843 9.7541 9.7541 10.0747 10.0747 12.2396 12.2396 14.8287 14.8287 18.3056 18.3056 19.3364 19.3364 19.6538 19.6538 k = 0.1672 0.1667 0.5215 ( 1476 PWs) bands (ev): -7.3836 -7.3836 -6.7126 -6.7126 -2.5368 -2.5368 -2.1642 -2.1642 2.7073 2.7073 3.2147 3.2147 4.3040 4.3040 5.4765 5.4765 5.9556 5.9556 6.3121 6.3121 6.8810 6.8810 7.9657 7.9657 9.5192 9.5192 9.7599 9.7599 10.1073 10.1073 12.1819 12.1819 14.8660 14.8660 18.3283 18.3283 19.3047 19.3047 19.7160 19.7160 k = 0.1752 0.1746 0.5215 ( 1477 PWs) bands (ev): -7.3564 -7.3564 -6.6891 -6.6891 -2.5651 -2.5651 -2.2196 -2.2196 2.6342 2.6342 3.1462 3.1462 4.2550 4.2550 5.6054 5.6054 5.9397 5.9397 6.3808 6.3808 6.9230 6.9230 7.9480 7.9480 9.5556 9.5556 9.7676 9.7676 10.1408 10.1408 12.1170 12.1170 14.9049 14.9049 18.3552 18.3552 19.2751 19.2751 19.7776 19.7776 k = 0.1832 0.1826 0.5215 ( 1476 PWs) bands (ev): -7.3283 -7.3283 -6.6652 -6.6652 -2.5925 -2.5925 -2.2749 -2.2749 2.5623 2.5623 3.0790 3.0790 4.1840 4.1840 5.7374 5.7374 5.9476 5.9476 6.4478 6.4478 6.9574 6.9574 7.9344 7.9344 9.5935 9.5935 9.7770 9.7770 10.1752 10.1752 12.0465 12.0465 14.9437 14.9437 18.3862 18.3862 19.2477 19.2477 19.8384 19.8384 k = 0.1911 0.1905 0.5215 ( 1476 PWs) bands (ev): -7.2992 -7.2992 -6.6409 -6.6409 -2.6186 -2.6186 -2.3301 -2.3301 2.4915 2.4915 3.0132 3.0132 4.0934 4.0934 5.8724 5.8724 5.9773 5.9773 6.5129 6.5129 6.9828 6.9828 7.9259 7.9259 9.6330 9.6330 9.7880 9.7880 10.2103 10.2103 11.9720 11.9720 14.9812 14.9812 18.4211 18.4211 19.2225 19.2225 19.8985 19.8985 k = 0.1991 0.1984 0.5215 ( 1476 PWs) bands (ev): -7.2691 -7.2691 -6.6164 -6.6164 -2.6434 -2.6434 -2.3849 -2.3849 2.4220 2.4220 2.9489 2.9489 3.9866 3.9866 6.0099 6.0099 6.0254 6.0254 6.5762 6.5762 6.9982 6.9982 7.9231 7.9231 9.6738 9.6738 9.8005 9.8005 10.2462 10.2462 11.8951 11.8951 15.0164 15.0164 18.4595 18.4595 19.1994 19.1994 19.9578 19.9578 k = 0.2071 0.2064 0.5215 ( 1476 PWs) bands (ev): -7.2383 -7.2383 -6.5917 -6.5917 -2.6666 -2.6666 -2.4393 -2.4393 2.3536 2.3536 2.8862 2.8862 3.8673 3.8673 6.0882 6.0882 6.1499 6.1499 6.6375 6.6375 7.0031 7.0031 7.9266 7.9266 9.7161 9.7161 9.8146 9.8146 10.2826 10.2826 11.8167 11.8167 15.0485 15.0485 18.5011 18.5011 19.1783 19.1783 20.0162 20.0162 k = 0.2150 0.2143 0.5215 ( 1480 PWs) bands (ev): -7.2067 -7.2067 -6.5669 -6.5669 -2.6879 -2.6879 -2.4932 -2.4932 2.2866 2.2866 2.8251 2.8251 3.7386 3.7386 6.1621 6.1621 6.2921 6.2921 6.6969 6.6969 6.9979 6.9979 7.9360 7.9360 9.7598 9.7598 9.8301 9.8301 10.3195 10.3195 11.7380 11.7380 15.0771 15.0771 18.5451 18.5451 19.1589 19.1589 20.0735 20.0735 k = 0.2230 0.2223 0.5215 ( 1480 PWs) bands (ev): -7.1743 -7.1743 -6.5422 -6.5422 -2.7073 -2.7073 -2.5463 -2.5463 2.2210 2.2210 2.7656 2.7656 3.6031 3.6031 6.2438 6.2438 6.4362 6.4362 6.7544 6.7544 6.9838 6.9838 7.9506 7.9506 9.8048 9.8048 9.8470 9.8470 10.3568 10.3568 11.6599 11.6599 15.1019 15.1019 18.5912 18.5912 19.1414 19.1414 20.1299 20.1299 k = 0.2310 0.2302 0.5215 ( 1480 PWs) bands (ev): -7.1413 -7.1413 -6.5176 -6.5176 -2.7245 -2.7245 -2.5987 -2.5987 2.1568 2.1568 2.7079 2.7079 3.4629 3.4629 6.3297 6.3297 6.5820 6.5820 6.8100 6.8100 6.9630 6.9630 7.9693 7.9693 9.8509 9.8509 9.8655 9.8655 10.3944 10.3944 11.5833 11.5833 15.1228 15.1228 18.6385 18.6385 19.1254 19.1254 20.1851 20.1851 k = 0.2389 0.2381 0.5215 ( 1479 PWs) bands (ev): -7.1077 -7.1077 -6.4932 -6.4932 -2.7394 -2.7394 -2.6502 -2.6502 2.0939 2.0939 2.6519 2.6519 3.3198 3.3198 6.4153 6.4153 6.7289 6.7289 6.8637 6.8637 6.9396 6.9396 7.9910 7.9910 9.8843 9.8843 9.8992 9.8992 10.4323 10.4323 11.5089 11.5089 15.1397 15.1397 18.6864 18.6864 19.1107 19.1107 20.2390 20.2390 k = 0.2469 0.2461 0.5215 ( 1481 PWs) bands (ev): -7.0737 -7.0737 -6.4692 -6.4692 -2.7518 -2.7518 -2.7007 -2.7007 2.0326 2.0326 2.5977 2.5977 3.1748 3.1748 6.4933 6.4933 6.8746 6.8746 6.9156 6.9156 6.9226 6.9226 8.0143 8.0143 9.9053 9.9053 9.9478 9.9478 10.4705 10.4705 11.4374 11.4374 15.1526 15.1526 18.7341 18.7341 19.0971 19.0971 20.2918 20.2918 k = 0.2548 0.2540 0.5215 ( 1481 PWs) bands (ev): -7.0393 -7.0393 -6.4457 -6.4457 -2.7615 -2.7615 -2.7502 -2.7502 1.9727 1.9727 2.5453 2.5453 3.0291 3.0291 6.5506 6.5506 6.9178 6.9178 6.9608 6.9608 7.0310 7.0310 8.0384 8.0384 9.9274 9.9274 9.9978 9.9978 10.5087 10.5087 11.3695 11.3695 15.1618 15.1618 18.7809 18.7809 19.0844 19.0844 20.3431 20.3431 k = 0.2628 0.2619 0.5215 ( 1481 PWs) bands (ev): -7.0046 -7.0046 -6.4226 -6.4226 -2.7987 -2.7987 -2.7684 -2.7684 1.9144 1.9144 2.4947 2.4947 2.8834 2.8834 6.5716 6.5716 6.9481 6.9481 7.0093 7.0093 7.1800 7.1800 8.0624 8.0624 9.9505 9.9505 10.0489 10.0489 10.5471 10.5471 11.3058 11.3058 15.1672 15.1672 18.8262 18.8262 19.0722 19.0722 20.3932 20.3932 k = 0.2708 0.2699 0.5215 ( 1483 PWs) bands (ev): -6.9697 -6.9697 -6.4002 -6.4002 -2.8459 -2.8459 -2.7724 -2.7724 1.8576 1.8576 2.4459 2.4459 2.7384 2.7384 6.5546 6.5546 7.0120 7.0120 7.0547 7.0547 7.3305 7.3305 8.0858 8.0858 9.9746 9.9746 10.1011 10.1011 10.5856 10.5856 11.2468 11.2468 15.1691 15.1691 18.8690 18.8690 19.0602 19.0602 20.4419 20.4419 k = 0.2787 0.2778 0.5215 ( 1481 PWs) bands (ev): -6.9349 -6.9349 -6.3783 -6.3783 -2.8919 -2.8919 -2.7732 -2.7732 1.8024 1.8024 2.3989 2.3989 2.5946 2.5946 6.5123 6.5123 7.0937 7.0937 7.1005 7.1005 7.4815 7.4815 8.1084 8.1084 9.9997 9.9997 10.1543 10.1543 10.6241 10.6241 11.1934 11.1934 15.1676 15.1676 18.9090 18.9090 19.0481 19.0481 20.4892 20.4892 k = 0.2867 0.2858 0.5215 ( 1479 PWs) bands (ev): -6.9002 -6.9002 -6.3572 -6.3572 -2.9366 -2.9366 -2.7708 -2.7708 1.7488 1.7488 2.3537 2.3537 2.4527 2.4527 6.4556 6.4556 7.1381 7.1381 7.1900 7.1900 7.6323 7.6323 8.1306 8.1306 10.0256 10.0256 10.2085 10.2085 10.6627 10.6627 11.1459 11.1459 15.1629 15.1629 18.9453 18.9453 19.0354 19.0354 20.5352 20.5352 k = 0.2947 0.2937 0.5215 ( 1481 PWs) bands (ev): -6.8659 -6.8659 -6.3367 -6.3367 -2.9800 -2.9800 -2.7651 -2.7651 1.6968 1.6968 2.3039 2.3039 2.3193 2.3193 6.3902 6.3902 7.1769 7.1769 7.2844 7.2844 7.7828 7.7828 8.1530 8.1530 10.0522 10.0522 10.2635 10.2635 10.7015 10.7015 11.1048 11.1048 15.1550 15.1550 18.9774 18.9774 19.0217 19.0217 20.5797 20.5797 k = 0.3026 0.3016 0.5215 ( 1481 PWs) bands (ev): -6.8321 -6.8321 -6.3168 -6.3168 -3.0220 -3.0220 -2.7559 -2.7559 1.6465 1.6465 2.1735 2.1735 2.2708 2.2708 6.3192 6.3192 7.2135 7.2135 7.3756 7.3756 7.9324 7.9324 8.1771 8.1771 10.0793 10.0793 10.3194 10.3194 10.7403 10.7403 11.0709 11.0709 15.1440 15.1440 19.0028 19.0028 19.0088 19.0088 20.6230 20.6230 k = 0.3106 0.3096 0.5215 ( 1481 PWs) bands (ev): -6.7993 -6.7993 -6.2974 -6.2974 -3.0626 -3.0626 -2.7433 -2.7433 1.5977 1.5977 2.0388 2.0388 2.2313 2.2313 6.2441 6.2441 7.2479 7.2479 7.4592 7.4592 8.0809 8.0809 8.2049 8.2049 10.1070 10.1070 10.3760 10.3760 10.7794 10.7794 11.0445 11.0445 15.1301 15.1301 18.9891 18.9891 19.0279 19.0279 20.6649 20.6649 k = 0.3186 0.3175 0.5215 ( 1485 PWs) bands (ev): -6.7675 -6.7675 -6.2785 -6.2785 -3.1016 -3.1016 -2.7271 -2.7271 1.5506 1.5506 1.9068 1.9068 2.1940 2.1940 6.1659 6.1659 7.2802 7.2802 7.5314 7.5314 8.2276 8.2276 8.2392 8.2392 10.1350 10.1350 10.4333 10.4333 10.8188 10.8188 11.0261 11.0261 15.1133 15.1133 18.9697 18.9697 19.0450 19.0450 20.7055 20.7055 k = 0.3265 0.3254 0.5215 ( 1483 PWs) bands (ev): -6.7372 -6.7372 -6.2599 -6.2599 -3.1392 -3.1392 -2.7073 -2.7073 1.5053 1.5053 1.7780 1.7780 2.1587 2.1587 6.0854 6.0854 7.3104 7.3104 7.5883 7.5883 8.2821 8.2821 8.3725 8.3725 10.1633 10.1633 10.4912 10.4912 10.8587 10.8587 11.0160 11.0160 15.0936 15.0936 18.9474 18.9474 19.0567 19.0567 20.7448 20.7448 k = 0.3345 0.3334 0.5215 ( 1485 PWs) bands (ev): -6.7088 -6.7088 -6.2413 -6.2413 -3.1752 -3.1752 -2.6840 -2.6840 1.4616 1.4616 1.6526 1.6526 2.1254 2.1254 6.0031 6.0031 7.3385 7.3385 7.6277 7.6277 8.3358 8.3358 8.5147 8.5147 10.1920 10.1920 10.5497 10.5497 10.8991 10.8991 11.0145 11.0145 15.0709 15.0709 18.9217 18.9217 19.0628 19.0628 20.7828 20.7828 k = 0.3424 0.3413 0.5215 ( 1483 PWs) bands (ev): -6.6826 -6.6826 -6.2224 -6.2224 -3.2097 -3.2097 -2.6570 -2.6570 1.4195 1.4195 1.5310 1.5310 2.0941 2.0941 5.9194 5.9194 7.3644 7.3644 7.6491 7.6491 8.3998 8.3998 8.6537 8.6537 10.2211 10.2211 10.6085 10.6085 10.9403 10.9403 11.0218 11.0218 15.0452 15.0452 18.8921 18.8921 19.0633 19.0633 20.8195 20.8195 k = 0.3504 0.3493 0.5215 ( 1481 PWs) bands (ev): -6.6592 -6.6592 -6.2030 -6.2030 -3.2425 -3.2425 -2.6266 -2.6266 1.3792 1.3792 1.4133 1.4133 2.0648 2.0648 5.8347 5.8347 7.3883 7.3883 7.6538 7.6538 8.4721 8.4721 8.7890 8.7890 10.2507 10.2507 10.6678 10.6678 10.9824 10.9824 11.0378 11.0378 15.0165 15.0165 18.8584 18.8584 19.0583 19.0583 20.8546 20.8546 k = 0.3584 0.3572 0.5215 ( 1485 PWs) bands (ev): -6.6388 -6.6388 -6.1827 -6.1827 -3.2737 -3.2737 -2.5926 -2.5926 1.2997 1.2997 1.3407 1.3407 2.0374 2.0374 5.7494 5.7494 7.4100 7.4100 7.6443 7.6443 8.5498 8.5498 8.9200 8.9200 10.2810 10.2810 10.7273 10.7273 11.0257 11.0257 11.0625 11.0625 14.9847 14.9847 18.8202 18.8202 19.0480 19.0480 20.8883 20.8883 k = 0.3663 0.3651 0.5215 ( 1485 PWs) bands (ev): -6.6220 -6.6220 -6.1613 -6.1613 -3.3032 -3.3032 -2.5553 -2.5553 1.1906 1.1906 1.3038 1.3038 2.0120 2.0120 5.6636 5.6636 7.4296 7.4296 7.6230 7.6230 8.6302 8.6302 9.0460 9.0460 10.3123 10.3123 10.7869 10.7869 11.0703 11.0703 11.0958 11.0958 14.9499 14.9499 18.7773 18.7773 19.0327 19.0327 20.9203 20.9203 k = 0.3743 0.3731 0.5215 ( 1485 PWs) bands (ev): -6.6091 -6.6091 -6.1386 -6.1386 -3.3310 -3.3310 -2.5146 -2.5146 1.0860 1.0860 1.2686 1.2686 1.9886 1.9886 5.5776 5.5776 7.4471 7.4471 7.5922 7.5922 8.7108 8.7108 9.1664 9.1664 10.3449 10.3449 10.8467 10.8467 11.1164 11.1164 11.1374 11.1374 14.9118 14.9118 18.7298 18.7298 19.0128 19.0128 20.9507 20.9507 k = 0.3823 0.3810 0.5215 ( 1485 PWs) bands (ev): -6.6002 -6.6002 -6.1143 -6.1143 -3.3572 -3.3572 -2.4708 -2.4708 0.9863 0.9863 1.2352 1.2352 1.9671 1.9671 5.4918 5.4918 7.4625 7.4625 7.5536 7.5536 8.7895 8.7895 9.2804 9.2804 10.3789 10.3789 10.9065 10.9065 11.1643 11.1643 11.1870 11.1870 14.8706 14.8706 18.6779 18.6779 18.9886 18.9886 20.9794 20.9794 k = 0.3902 0.3889 0.5215 ( 1487 PWs) bands (ev): -6.5954 -6.5954 -6.0885 -6.0885 -3.3815 -3.3815 -2.4241 -2.4241 0.8916 0.8916 1.2035 1.2035 1.9476 1.9476 5.4063 5.4063 7.4755 7.4755 7.5088 7.5088 8.8651 8.8651 9.3875 9.3875 10.4144 10.4144 10.9662 10.9662 11.2140 11.2140 11.2442 11.2442 14.8262 14.8262 18.6221 18.6221 18.9607 18.9607 20.9815 20.9815 k = 0.3982 0.3969 0.5215 ( 1479 PWs) bands (ev): -6.5949 -6.5949 -6.0612 -6.0612 -3.4042 -3.4042 -2.3745 -2.3745 0.8022 0.8022 1.1736 1.1736 1.9301 1.9301 5.3215 5.3215 7.4572 7.4572 7.4879 7.4879 8.9365 8.9365 9.4872 9.4872 10.4516 10.4516 11.0257 11.0257 11.2655 11.2655 11.3087 11.3087 14.7787 14.7787 18.5629 18.5629 18.9294 18.9294 20.9313 20.9313 k = 0.4062 0.4048 0.5215 ( 1479 PWs) bands (ev): -6.5985 -6.5985 -6.0326 -6.0326 -3.4251 -3.4251 -2.3224 -2.3224 0.7182 0.7182 1.1454 1.1454 1.9144 1.9144 5.2374 5.2374 7.4026 7.4026 7.4967 7.4967 9.0029 9.0029 9.5788 9.5788 10.4904 10.4904 11.0847 11.0847 11.3188 11.3188 11.3800 11.3800 14.7281 14.7281 18.5012 18.5012 18.8951 18.8951 20.8887 20.8887 k = 0.4141 0.4128 0.5215 ( 1475 PWs) bands (ev): -6.6060 -6.6060 -6.0028 -6.0028 -3.4442 -3.4442 -2.2679 -2.2679 0.6399 0.6399 1.1189 1.1189 1.9007 1.9007 5.1544 5.1544 7.3439 7.3439 7.5038 7.5038 9.0640 9.0640 9.6619 9.6619 10.5308 10.5308 11.1430 11.1430 11.3738 11.3738 11.4575 11.4575 14.6745 14.6745 18.4380 18.4380 18.8586 18.8586 20.8537 20.8537 k = 0.4141 0.4128 0.5215 ( 1475 PWs) bands (ev): -6.6060 -6.6060 -6.0028 -6.0028 -3.4442 -3.4442 -2.2679 -2.2679 0.6399 0.6399 1.1189 1.1189 1.9007 1.9007 5.1544 5.1544 7.3439 7.3439 7.5038 7.5038 9.0640 9.0640 9.6619 9.6619 10.5308 10.5308 11.1430 11.1430 11.3738 11.3738 11.4575 11.4575 14.6745 14.6745 18.4380 18.4380 18.8586 18.8586 20.8537 20.8537 k = 0.4195 0.4181 0.5150 ( 1473 PWs) bands (ev): -6.5906 -6.5906 -6.0004 -6.0004 -3.4304 -3.4304 -2.2064 -2.2064 0.5818 0.5818 1.0345 1.0345 1.8316 1.8316 5.0308 5.0308 7.3587 7.3587 7.5197 7.5197 9.1386 9.1386 9.7169 9.7169 10.6153 10.6153 11.2097 11.2097 11.4579 11.4579 11.5431 11.5431 14.6108 14.6108 18.4028 18.4028 18.8024 18.8024 20.8227 20.8227 k = 0.4249 0.4235 0.5086 ( 1473 PWs) bands (ev): -6.5789 -6.5789 -5.9952 -5.9952 -3.4154 -3.4154 -2.1432 -2.1432 0.5257 0.5257 0.9519 0.9519 1.7645 1.7645 4.9092 4.9092 7.3728 7.3728 7.5328 7.5328 9.2122 9.2122 9.7698 9.7698 10.6978 10.6978 11.2773 11.2773 11.5414 11.5414 11.6295 11.6295 14.5459 14.5459 18.3647 18.3647 18.7455 18.7455 20.7947 20.7947 k = 0.4304 0.4289 0.5021 ( 1473 PWs) bands (ev): -6.5707 -6.5707 -5.9875 -5.9875 -3.3994 -3.3994 -2.0782 -2.0782 0.4717 0.4717 0.8712 0.8712 1.6991 1.6991 4.7897 4.7897 7.3861 7.3861 7.5432 7.5432 9.2848 9.2848 9.8204 9.8204 10.7780 10.7780 11.3455 11.3455 11.6241 11.6241 11.7167 11.7167 14.4799 14.4799 18.3243 18.3243 18.6881 18.6881 20.7695 20.7695 k = 0.4358 0.4343 0.4956 ( 1473 PWs) bands (ev): -6.5659 -6.5659 -5.9774 -5.9774 -3.3822 -3.3822 -2.0116 -2.0116 0.4198 0.4198 0.7925 0.7925 1.6357 1.6357 4.6727 4.6727 7.3988 7.3988 7.5513 7.5513 9.3561 9.3561 9.8687 9.8687 10.8559 10.8559 11.4138 11.4138 11.7058 11.7058 11.8044 11.8044 14.4130 14.4130 18.2824 18.2824 18.6304 18.6304 20.7469 20.7469 k = 0.4412 0.4397 0.4892 ( 1473 PWs) bands (ev): -6.5640 -6.5640 -5.9653 -5.9653 -3.3641 -3.3641 -1.9436 -1.9436 0.3701 0.3701 0.7158 0.7158 1.5742 1.5742 4.5583 4.5583 7.4109 7.4109 7.5572 7.5572 9.4259 9.4259 9.9143 9.9143 10.9313 10.9313 11.4819 11.4819 11.7861 11.7861 11.8925 11.8925 14.3455 14.3455 18.2398 18.2398 18.5727 18.5727 20.7268 20.7268 k = 0.4466 0.4451 0.4827 ( 1473 PWs) bands (ev): -6.5648 -6.5648 -5.9516 -5.9516 -3.3450 -3.3450 -1.8744 -1.8744 0.3225 0.3225 0.6412 0.6412 1.5145 1.5145 4.4469 4.4469 7.4227 7.4227 7.5611 7.5611 9.4938 9.4938 9.9573 9.9573 11.0041 11.0041 11.5494 11.5494 11.8649 11.8649 11.9809 11.9809 14.2774 14.2774 18.1970 18.1970 18.5151 18.5151 20.7090 20.7090 k = 0.5859-0.4161 0.3122 ( 1475 PWs) bands (ev): -6.6060 -6.6060 -6.0028 -6.0028 -3.4442 -3.4442 -2.2679 -2.2679 0.6399 0.6399 1.1189 1.1189 1.9007 1.9007 5.1544 5.1544 7.3439 7.3439 7.5038 7.5038 9.0640 9.0640 9.6619 9.6619 10.5308 10.5308 11.1430 11.1430 11.3738 11.3738 11.4575 11.4575 14.6745 14.6745 18.4380 18.4380 18.8586 18.8586 20.8537 20.8537 k = 0.5836-0.4183 0.3015 ( 1475 PWs) bands (ev): -6.6475 -6.6475 -5.9628 -5.9628 -3.4912 -3.4912 -2.2886 -2.2886 0.6341 0.6341 1.2252 1.2252 1.9997 1.9997 5.2447 5.2447 7.2292 7.2292 7.4813 7.4813 9.0205 9.0205 9.6795 9.6795 10.4469 10.4469 11.1161 11.1161 11.3134 11.3134 11.4320 11.4320 14.7008 14.7008 18.4050 18.4050 18.8971 18.8971 20.8641 20.8641 k = 0.5814-0.4205 0.2908 ( 1477 PWs) bands (ev): -6.6883 -6.6883 -5.9246 -5.9246 -3.5374 -3.5374 -2.3072 -2.3072 0.6328 0.6328 1.3340 1.3340 2.1013 2.1013 5.3362 5.3362 7.1061 7.1061 7.4535 7.4535 8.9727 8.9727 9.6954 9.6954 10.3629 10.3629 11.0913 11.0913 11.2541 11.2541 11.4113 11.4113 14.7252 14.7252 18.3737 18.3737 18.9339 18.9339 20.8759 20.8759 k = 0.5791-0.4228 0.2801 ( 1482 PWs) bands (ev): -6.7282 -6.7282 -5.8885 -5.8885 -3.5826 -3.5826 -2.3238 -2.3238 0.6364 0.6364 1.4452 1.4452 2.2054 2.2054 5.4288 5.4288 6.9759 6.9759 7.4202 7.4202 8.9195 8.9195 9.7100 9.7100 10.2791 10.2791 11.0685 11.0685 11.1966 11.1966 11.3953 11.3953 14.7476 14.7476 18.3442 18.3442 18.9692 18.9692 20.8891 20.8891 k = 0.5769-0.4250 0.2694 ( 1484 PWs) bands (ev): -6.7672 -6.7672 -5.8544 -5.8544 -3.6267 -3.6267 -2.3385 -2.3385 0.6450 0.6450 1.5587 1.5587 2.3119 2.3119 5.5223 5.5223 6.8396 6.8396 7.3813 7.3813 8.8602 8.8602 9.7233 9.7233 10.1956 10.1956 11.0466 11.0466 11.1420 11.1420 11.3843 11.3843 14.7682 14.7682 18.3166 18.3166 19.0030 19.0030 20.9036 20.9036 k = 0.5746-0.4273 0.2587 ( 1484 PWs) bands (ev): -6.8052 -6.8052 -5.8225 -5.8225 -3.6696 -3.6696 -2.3513 -2.3513 0.6587 0.6587 1.6743 1.6743 2.4207 2.4207 5.6166 5.6166 6.6983 6.6983 7.3366 7.3366 8.7944 8.7944 9.7356 9.7356 10.1125 10.1125 11.0223 11.0223 11.0936 11.0936 11.3780 11.3780 14.7867 14.7867 18.2910 18.2910 19.0353 19.0353 20.9194 20.9194 k = 0.5724-0.4295 0.2480 ( 1482 PWs) bands (ev): -6.8421 -6.8421 -5.7927 -5.7927 -3.7112 -3.7112 -2.3624 -2.3624 0.6777 0.6777 1.7920 1.7920 2.5318 2.5318 5.7113 5.7113 6.5526 6.5526 7.2859 7.2859 8.7219 8.7219 9.7473 9.7473 10.0299 10.0299 10.9888 10.9888 11.0584 11.0584 11.3762 11.3762 14.8034 14.8034 18.2675 18.2675 19.0663 19.0663 20.9364 20.9364 k = 0.5702-0.4317 0.2373 ( 1482 PWs) bands (ev): -6.8778 -6.8778 -5.7652 -5.7652 -3.7516 -3.7516 -2.3720 -2.3720 0.7021 0.7021 1.9116 1.9116 2.6451 2.6451 5.8064 5.8064 6.4033 6.4033 7.2292 7.2292 8.6427 8.6427 9.7584 9.7584 9.9475 9.9475 10.9443 10.9443 11.0380 11.0380 11.3787 11.3787 14.8181 14.8181 18.2461 18.2461 19.0961 19.0961 20.9547 20.9547 k = 0.5679-0.4340 0.2266 ( 1480 PWs) bands (ev): -6.9123 -6.9123 -5.7398 -5.7398 -3.7905 -3.7905 -2.3800 -2.3800 0.7319 0.7319 2.0330 2.0330 2.7604 2.7604 5.9015 5.9015 6.2510 6.2510 7.1664 7.1664 8.5575 8.5575 9.7695 9.7695 9.8652 9.8652 10.8947 10.8947 11.0264 11.0264 11.3852 11.3852 14.8311 14.8311 18.2267 18.2267 19.1246 19.1246 20.9741 20.9741 k = 0.5657-0.4362 0.2159 ( 1482 PWs) bands (ev): -6.9456 -6.9456 -5.7165 -5.7165 -3.8281 -3.8281 -2.3867 -2.3867 0.7673 0.7673 2.1561 2.1561 2.8777 2.8777 5.9953 5.9953 6.0973 6.0973 7.0977 7.0977 8.4668 8.4668 9.7805 9.7805 9.7828 9.7828 10.8441 10.8441 11.0194 11.0194 11.3952 11.3952 14.8424 14.8424 18.2093 18.2093 19.1516 19.1516 20.9945 20.9945 k = 0.5634-0.4385 0.2052 ( 1482 PWs) bands (ev): -6.9775 -6.9775 -5.6953 -5.6953 -3.8641 -3.8641 -2.3922 -2.3922 0.8083 0.8083 2.2809 2.2809 2.9969 2.9969 5.9376 5.9376 6.0925 6.0925 7.0232 7.0232 8.3713 8.3713 9.6999 9.6999 9.7919 9.7919 10.7938 10.7938 11.0155 11.0155 11.4083 11.4083 14.8522 14.8522 18.1940 18.1940 19.1774 19.1774 21.0160 21.0160 k = 0.5612-0.4407 0.1945 ( 1486 PWs) bands (ev): -7.0081 -7.0081 -5.6760 -5.6760 -3.8986 -3.8986 -2.3966 -2.3966 0.8549 0.8549 2.4072 2.4072 3.1179 3.1179 5.7797 5.7797 6.1850 6.1850 6.9429 6.9429 8.2721 8.2721 9.6165 9.6165 9.8038 9.8038 10.7443 10.7443 11.0140 11.0140 11.4241 11.4241 14.8605 14.8605 18.1806 18.1806 19.2018 19.2018 21.0383 21.0383 k = 0.5589-0.4429 0.1838 ( 1486 PWs) bands (ev): -7.0373 -7.0373 -5.6586 -5.6586 -3.9315 -3.9315 -2.4001 -2.4001 0.9072 0.9072 2.5350 2.5350 3.2406 3.2406 5.6202 5.6202 6.2762 6.2762 6.8572 6.8572 8.1703 8.1703 9.5325 9.5325 9.8162 9.8162 10.6960 10.6960 11.0144 11.0144 11.4422 11.4422 14.8675 14.8675 18.1691 18.1691 19.2249 19.2249 21.0615 21.0615 k = 0.5567-0.4452 0.1731 ( 1484 PWs) bands (ev): -7.0651 -7.0651 -5.6431 -5.6431 -3.9628 -3.9628 -2.4027 -2.4027 0.9651 0.9651 2.6641 2.6641 3.3649 3.3649 5.4597 5.4597 6.3645 6.3645 6.7663 6.7663 8.0674 8.0674 9.4475 9.4475 9.8293 9.8293 10.6491 10.6491 11.0164 11.0164 11.4621 11.4621 14.8733 14.8733 18.1593 18.1593 19.2466 19.2466 21.0854 21.0854 k = 0.5544-0.4474 0.1624 ( 1480 PWs) bands (ev): -7.0914 -7.0914 -5.6291 -5.6291 -3.9924 -3.9924 -2.4045 -2.4045 1.0286 1.0286 2.7944 2.7944 3.4906 3.4906 5.2987 5.2987 6.4485 6.4485 6.6705 6.6705 7.9655 7.9655 9.3615 9.3615 9.8432 9.8432 10.6037 10.6037 11.0196 11.0196 11.4834 11.4834 14.8781 14.8781 18.1512 18.1512 19.2669 19.2669 21.1098 21.1098 k = 0.5522-0.4497 0.1517 ( 1484 PWs) bands (ev): -7.1163 -7.1163 -5.6168 -5.6168 -4.0204 -4.0204 -2.4056 -2.4056 1.0975 1.0975 2.9259 2.9259 3.6176 3.6176 5.1376 5.1376 6.5255 6.5255 6.5701 6.5701 7.8671 7.8671 9.2744 9.2744 9.8577 9.8577 10.5600 10.5600 11.0238 11.0238 11.5058 11.5058 14.8818 14.8818 18.1446 18.1446 19.2856 19.2856 21.1148 21.1148 k = 0.5499-0.4519 0.1411 ( 1483 PWs) bands (ev): -7.1397 -7.1397 -5.6059 -5.6059 -4.0466 -4.0466 -2.4062 -2.4062 1.1718 1.1718 3.0584 3.0584 3.7454 3.7454 4.9769 4.9769 6.4651 6.4651 6.5928 6.5928 7.7762 7.7762 9.1862 9.1862 9.8728 9.8728 10.5181 10.5181 11.0288 11.0288 11.5290 11.5290 14.8846 14.8846 18.1395 18.1395 19.3027 19.3027 21.0857 21.0857 k = 0.5477-0.4541 0.1304 ( 1487 PWs) bands (ev): -7.1615 -7.1615 -5.5963 -5.5963 -4.0712 -4.0712 -2.4061 -2.4061 1.2515 1.2515 3.1917 3.1917 3.8737 3.8737 4.8171 4.8171 6.3563 6.3563 6.6446 6.6446 7.6981 7.6981 9.0968 9.0968 9.8883 9.8883 10.4783 10.4783 11.0345 11.0345 11.5526 11.5526 14.8867 14.8867 18.1356 18.1356 19.3181 19.3181 21.0567 21.0567 k = 0.5454-0.4564 0.1197 ( 1489 PWs) bands (ev): -7.1819 -7.1819 -5.5880 -5.5880 -4.0939 -4.0939 -2.4056 -2.4056 1.3362 1.3362 3.3259 3.3259 4.0012 4.0012 4.6596 4.6596 6.2438 6.2438 6.6744 6.6744 7.6398 7.6398 9.0063 9.0063 9.9039 9.9039 10.4409 10.4409 11.0406 11.0406 11.5763 11.5763 14.8880 14.8880 18.1328 18.1328 19.3318 19.3318 21.0284 21.0284 k = 0.5432-0.4586 0.1090 ( 1491 PWs) bands (ev): -7.2006 -7.2006 -5.5808 -5.5808 -4.1149 -4.1149 -2.4046 -2.4046 1.4260 1.4260 3.4608 3.4608 4.1232 4.1232 4.5092 4.5092 6.1280 6.1280 6.6754 6.6754 7.6085 7.6085 8.9147 8.9147 9.9194 9.9194 10.4062 10.4062 11.0471 11.0471 11.5999 11.5999 14.8886 14.8886 18.1310 18.1310 19.3437 19.3437 21.0017 21.0017 k = 0.5409-0.4608 0.0983 ( 1489 PWs) bands (ev): -7.2178 -7.2178 -5.5746 -5.5746 -4.1341 -4.1341 -2.4031 -2.4031 1.5205 1.5205 3.5962 3.5962 4.2067 4.2067 4.3989 4.3989 6.0091 6.0091 6.6443 6.6443 7.6078 7.6078 8.8220 8.8220 9.9342 9.9342 10.3748 10.3748 11.0538 11.0538 11.6232 11.6232 14.8886 14.8886 18.1300 18.1300 19.3536 19.3536 20.9768 20.9768 k = 0.5387-0.4631 0.0876 ( 1491 PWs) bands (ev): -7.2334 -7.2334 -5.5692 -5.5692 -4.1515 -4.1515 -2.4012 -2.4012 1.6198 1.6198 3.7320 3.7320 4.1342 4.1342 4.4462 4.4462 5.8876 5.8876 6.5834 6.5834 7.6355 7.6355 8.7284 8.7284 9.9476 9.9476 10.3472 10.3472 11.0606 11.0606 11.6461 11.6461 14.8880 14.8880 18.1297 18.1297 19.3615 19.3615 20.9542 20.9542 k = 0.5365-0.4653 0.0769 ( 1493 PWs) bands (ev): -7.2475 -7.2475 -5.5647 -5.5647 -4.1670 -4.1670 -2.3988 -2.3988 1.7234 1.7234 3.8679 3.8679 3.9917 3.9917 4.5651 4.5651 5.7638 5.7638 6.4993 6.4993 7.6853 7.6853 8.6341 8.6341 9.9588 9.9588 10.3245 10.3245 11.0675 11.0675 11.6683 11.6683 14.8866 14.8866 18.1298 18.1298 19.3673 19.3673 20.9344 20.9344 k = 0.5342-0.4676 0.0662 ( 1493 PWs) bands (ev): -7.2599 -7.2599 -5.5609 -5.5609 -4.1807 -4.1807 -2.3960 -2.3960 1.8311 1.8311 3.8405 3.8405 4.0036 4.0036 4.6942 4.6942 5.6381 5.6381 6.3989 6.3989 7.7505 7.7505 8.5392 8.5392 9.9667 9.9667 10.3076 10.3076 11.0743 11.0743 11.6899 11.6899 14.8846 14.8846 18.1304 18.1304 19.3709 19.3709 20.9175 20.9175 k = 0.5320-0.4698 0.0555 ( 1492 PWs) bands (ev): -7.2706 -7.2706 -5.5577 -5.5577 -4.1926 -4.1926 -2.3927 -2.3927 1.9428 1.9428 3.6884 3.6884 4.1389 4.1389 4.8255 4.8255 5.5111 5.5111 6.2878 6.2878 7.8258 7.8258 8.4443 8.4443 9.9703 9.9703 10.2974 10.2974 11.0811 11.0811 11.7105 11.7105 14.8819 14.8819 18.1311 18.1311 19.3724 19.3724 20.9038 20.9038 k = 0.5297-0.4720 0.0448 ( 1491 PWs) bands (ev): -7.2798 -7.2798 -5.5551 -5.5551 -4.2026 -4.2026 -2.3890 -2.3890 2.0579 2.0579 3.5373 3.5373 4.2730 4.2730 4.9564 4.9564 5.3835 5.3835 6.1705 6.1705 7.9068 7.9068 8.3501 8.3501 9.9691 9.9691 10.2946 10.2946 11.0878 11.0878 11.7302 11.7302 14.8785 14.8785 18.1319 18.1319 19.3718 19.3718 20.8935 20.8935 k = 0.5275-0.4743 0.0341 ( 1491 PWs) bands (ev): -7.2873 -7.2873 -5.5530 -5.5530 -4.2108 -4.2108 -2.3848 -2.3848 2.1759 2.1759 3.3884 3.3884 4.4047 4.4047 5.0848 5.0848 5.2566 5.2566 6.0506 6.0506 7.9884 7.9884 8.2597 8.2597 9.9630 9.9630 10.2992 10.2992 11.0943 11.0943 11.7490 11.7490 14.8743 14.8743 18.1326 18.1326 19.3691 19.3691 20.8866 20.8866 k = 0.5252-0.4765 0.0234 ( 1492 PWs) bands (ev): -7.2931 -7.2931 -5.5513 -5.5513 -4.2171 -4.2171 -2.3801 -2.3801 2.2958 2.2958 3.2428 3.2428 4.5308 4.5308 5.1337 5.1337 5.2069 5.2069 5.9332 5.9332 8.0513 8.0513 8.1908 8.1908 9.9527 9.9527 10.3104 10.3104 11.1006 11.1006 11.7666 11.7666 14.8694 14.8694 18.1332 18.1332 19.3644 19.3644 20.8834 20.8834 k = 0.5230-0.4788 0.0127 ( 1490 PWs) bands (ev): -7.2974 -7.2974 -5.5501 -5.5501 -4.2215 -4.2215 -2.3749 -2.3749 2.4154 2.4154 3.1028 3.1028 4.6403 4.6403 5.0258 5.0258 5.3131 5.3131 5.8287 5.8287 8.0227 8.0227 8.2158 8.2158 9.9393 9.9393 10.3273 10.3273 11.1068 11.1068 11.7832 11.7832 14.8638 14.8638 18.1336 18.1336 19.3576 19.3576 20.8837 20.8837 k = 0.5207-0.4810 0.0020 ( 1493 PWs) bands (ev): -7.2999 -7.2999 -5.5493 -5.5493 -4.2241 -4.2241 -2.3692 -2.3692 2.5278 2.5278 2.9754 2.9754 4.6895 4.6895 4.9767 4.9767 5.3757 5.3757 5.7649 5.7649 7.9393 7.9393 8.2974 8.2974 9.9238 9.9238 10.3487 10.3487 11.1128 11.1128 11.7987 11.7987 14.8572 14.8572 18.1336 18.1336 19.3488 19.3488 20.8875 20.8875 k = 0.5185-0.4832-0.0087 ( 1491 PWs) bands (ev): -7.3009 -7.3009 -5.5487 -5.5487 -4.2247 -4.2247 -2.3630 -2.3630 2.6030 2.6030 2.8906 2.8906 4.6291 4.6291 5.0357 5.0357 5.3528 5.3528 5.7839 5.7839 7.8483 7.8483 8.3886 8.3886 9.9072 9.9072 10.3739 10.3739 11.1186 11.1186 11.8130 11.8130 14.8499 14.8499 18.1332 18.1332 19.3384 19.3384 20.8948 20.8948 k = 0.5162-0.4855-0.0194 ( 1488 PWs) bands (ev): -7.3001 -7.3001 -5.5486 -5.5486 -4.2235 -4.2235 -2.3562 -2.3562 2.5711 2.5711 2.9182 2.9182 4.5159 4.5159 5.1459 5.1459 5.2618 5.2618 5.8677 5.8677 7.7571 7.7571 8.4824 8.4824 9.8902 9.8902 10.4019 10.4019 11.1242 11.1242 11.8261 11.8261 14.8416 14.8416 18.1324 18.1324 19.3262 19.3262 20.9053 20.9053 k = 0.5162-0.4855-0.0194 ( 1488 PWs) bands (ev): -7.3001 -7.3001 -5.5486 -5.5486 -4.2235 -4.2235 -2.3562 -2.3562 2.5711 2.5711 2.9182 2.9182 4.5159 4.5159 5.1459 5.1459 5.2618 5.2618 5.8677 5.8677 7.7571 7.7571 8.4824 8.4824 9.8902 9.8902 10.4019 10.4019 11.1242 11.1242 11.8261 11.8261 14.8416 14.8416 18.1324 18.1324 19.3262 19.3262 20.9053 20.9053 k = 0.5108-0.4909-0.0129 ( 1490 PWs) bands (ev): -7.2932 -7.2932 -5.5526 -5.5526 -4.2275 -4.2275 -2.3640 -2.3640 2.5854 2.5854 2.8988 2.8988 4.5956 4.5956 5.0669 5.0669 5.3170 5.3170 5.8125 5.8125 7.8690 7.8690 8.3643 8.3643 9.9418 9.9418 10.3474 10.3474 11.1333 11.1333 11.8417 11.8417 14.8314 14.8314 18.1276 18.1276 19.3409 19.3409 20.8992 20.8992 k = 0.5054-0.4963-0.0065 ( 1490 PWs) bands (ev): -7.2890 -7.2890 -5.5551 -5.5551 -4.2300 -4.2300 -2.3687 -2.3687 2.5948 2.5948 2.8863 2.8863 4.6605 4.6605 5.0025 5.0025 5.3575 5.3575 5.7717 5.7717 7.9778 7.9778 8.2519 8.2519 9.9813 9.9813 10.3060 10.3060 11.1390 11.1390 11.8512 11.8512 14.8252 14.8252 18.1248 18.1248 19.3498 19.3498 20.8954 20.8954 k = 0.5000-0.5017 0.0000 ( 1486 PWs) bands (ev): -7.2876 -7.2876 -5.5559 -5.5559 -4.2308 -4.2308 -2.3702 -2.3702 2.5981 2.5981 2.8820 2.8820 4.6886 4.6886 4.9746 4.9746 5.3730 5.3730 5.7561 5.7561 8.0470 8.0470 8.1815 8.1815 9.9970 9.9970 10.2896 10.2896 11.1409 11.1409 11.8544 11.8544 14.8232 14.8232 18.1238 18.1238 19.3528 19.3528 20.8942 20.8942 k = 0.5000-0.5017 0.0000 ( 1486 PWs) bands (ev): -7.2876 -7.2876 -5.5559 -5.5559 -4.2308 -4.2308 -2.3702 -2.3702 2.5981 2.5981 2.8820 2.8820 4.6886 4.6886 4.9746 4.9746 5.3730 5.3730 5.7561 5.7561 8.0470 8.0470 8.1815 8.1815 9.9970 9.9970 10.2896 10.2896 11.1409 11.1409 11.8544 11.8544 14.8232 14.8232 18.1238 18.1238 19.3528 19.3528 20.8942 20.8942 k = 0.4919-0.4936 0.0000 ( 1488 PWs) bands (ev): -7.2900 -7.2900 -5.5551 -5.5551 -4.2304 -4.2304 -2.3662 -2.3662 2.5975 2.5975 2.8820 2.8820 4.6832 4.6832 4.9521 4.9521 5.3983 5.3983 5.7621 5.7621 8.0477 8.0477 8.1784 8.1784 9.9961 9.9961 10.2867 10.2867 11.1372 11.1372 11.8568 11.8568 14.8213 14.8213 18.1249 18.1249 19.3560 19.3560 20.8974 20.8974 k = 0.4839-0.4855 0.0000 ( 1488 PWs) bands (ev): -7.2970 -7.2970 -5.5527 -5.5527 -4.2293 -4.2293 -2.3541 -2.3541 2.5957 2.5957 2.8821 2.8821 4.6678 4.6678 4.8966 4.8966 5.4623 5.4623 5.7795 5.7795 8.0498 8.0498 8.1691 8.1691 9.9937 9.9937 10.2784 10.2784 11.1264 11.1264 11.8640 11.8640 14.8158 14.8158 18.1283 18.1283 19.3657 19.3657 20.9068 20.9068 k = 0.4758-0.4774 0.0000 ( 1486 PWs) bands (ev): -7.3085 -7.3085 -5.5486 -5.5486 -4.2274 -4.2274 -2.3340 -2.3340 2.5925 2.5925 2.8823 2.8823 4.6436 4.6436 4.8259 4.8259 5.5474 5.5474 5.8070 5.8070 8.0535 8.0535 8.1535 8.1535 9.9897 9.9897 10.2647 10.2647 11.1088 11.1088 11.8755 11.8755 14.8066 14.8066 18.1337 18.1337 19.3814 19.3814 20.9212 20.9212 k = 0.4677-0.4693 0.0000 ( 1488 PWs) bands (ev): -7.3246 -7.3246 -5.5430 -5.5430 -4.2247 -4.2247 -2.3064 -2.3064 2.5880 2.5880 2.8824 2.8824 4.6122 4.6122 4.7497 4.7497 5.6436 5.6436 5.8425 5.8425 8.0589 8.0589 8.1317 8.1317 9.9846 9.9846 10.2459 10.2459 11.0851 11.0851 11.8907 11.8907 14.7936 14.7936 18.1411 18.1411 19.4025 19.4025 20.9385 20.9385 k = 0.4597-0.4612 0.0000 ( 1488 PWs) bands (ev): -7.3450 -7.3450 -5.5357 -5.5357 -4.2208 -4.2208 -2.2714 -2.2714 2.5821 2.5821 2.8825 2.8825 4.5757 4.5757 4.6725 4.6725 5.7467 5.7467 5.8840 5.8840 8.0663 8.0663 8.1034 8.1034 9.9784 9.9784 10.2224 10.2224 11.0560 11.0560 11.9092 11.9092 14.7770 14.7770 18.1504 18.1504 19.4283 19.4283 20.9552 20.9552 k = 0.4516-0.4531 0.0000 ( 1494 PWs) bands (ev): -7.3696 -7.3696 -5.5269 -5.5269 -4.2158 -4.2158 -2.2295 -2.2295 2.5746 2.5746 2.8825 2.8825 4.5358 4.5358 4.5965 4.5965 5.8543 5.8543 5.9290 5.9290 8.0685 8.0685 8.0760 8.0760 9.9715 9.9715 10.1947 10.1947 11.0224 11.0224 11.9301 11.9301 14.7567 14.7567 18.1611 18.1611 19.4578 19.4578 20.9670 20.9670 k = 0.4435-0.4450 0.0000 ( 1494 PWs) bands (ev): -7.3981 -7.3981 -5.5165 -5.5165 -4.2095 -4.2095 -2.1813 -2.1813 2.5654 2.5654 2.8825 2.8825 4.4941 4.4941 4.5231 4.5231 5.9652 5.9652 5.9755 5.9755 8.0271 8.0271 8.0885 8.0885 9.9644 9.9644 10.1634 10.1634 10.9848 10.9848 11.9531 11.9531 14.7328 14.7328 18.1730 18.1730 19.4898 19.4898 20.9697 20.9697 k = 0.4355-0.4369 0.0000 ( 1492 PWs) bands (ev): -7.4303 -7.4303 -5.5044 -5.5044 -4.2016 -4.2016 -2.1270 -2.1270 2.5545 2.5545 2.8822 2.8822 4.4511 4.4511 4.4538 4.4538 6.0216 6.0216 6.0790 6.0790 7.9791 7.9791 8.1044 8.1044 9.9574 9.9574 10.1291 10.1291 10.9441 10.9441 11.9776 11.9776 14.7053 14.7053 18.1858 18.1858 19.5225 19.5225 20.9605 20.9605 k = 0.4274-0.4288 0.0000 ( 1490 PWs) bands (ev): -7.4659 -7.4659 -5.4909 -5.4909 -4.1921 -4.1921 -2.0674 -2.0674 2.5415 2.5415 2.8818 2.8818 4.3864 4.3864 4.4108 4.4108 6.0654 6.0654 6.1948 6.1948 7.9244 7.9244 8.1242 8.1242 9.9510 9.9510 10.0924 10.0924 10.9008 10.9008 12.0033 12.0033 14.6742 14.6742 18.1988 18.1988 19.5540 19.5540 20.9393 20.9393 k = 0.4194-0.4207 0.0000 ( 1490 PWs) bands (ev): -7.5047 -7.5047 -5.4757 -5.4757 -4.1807 -4.1807 -2.0031 -2.0031 2.5265 2.5265 2.8812 2.8812 4.3243 4.3243 4.3710 4.3710 6.1052 6.1052 6.3122 6.3122 7.8632 7.8632 8.1486 8.1486 9.9454 9.9454 10.0542 10.0542 10.8554 10.8554 12.0297 12.0297 14.6396 14.6396 18.2116 18.2116 19.5821 19.5821 20.9085 20.9085 k = 0.4113-0.4127 0.0000 ( 1490 PWs) bands (ev): -7.5464 -7.5464 -5.4590 -5.4590 -4.1675 -4.1675 -1.9345 -1.9345 2.5092 2.5092 2.8803 2.8803 4.2668 4.2668 4.3337 4.3337 6.1394 6.1394 6.4309 6.4309 7.7957 7.7957 8.1782 8.1782 9.9411 9.9411 10.0151 10.0151 10.8085 10.8085 12.0567 12.0567 14.6017 14.6017 18.2234 18.2234 19.6038 19.6038 20.8706 20.8706 k = 0.4032-0.4046 0.0000 ( 1488 PWs) bands (ev): -7.5908 -7.5908 -5.4408 -5.4408 -4.1523 -4.1523 -1.8622 -1.8622 2.4895 2.4895 2.8793 2.8793 4.2141 4.2141 4.2994 4.2994 6.1668 6.1668 6.5503 6.5503 7.7222 7.7222 8.2136 8.2136 9.9383 9.9383 9.9758 9.9758 10.7603 10.7603 12.0841 12.0841 14.5606 14.5606 18.2337 18.2337 19.6164 19.6164 20.8281 20.8281 k = 0.3952-0.3965 0.0000 ( 1490 PWs) bands (ev): -7.6375 -7.6375 -5.4211 -5.4211 -4.1350 -4.1350 -1.7869 -1.7869 2.4675 2.4675 2.8781 2.8781 4.1665 4.1665 4.2686 4.2686 6.1860 6.1860 6.6696 6.6696 7.6435 7.6435 8.2554 8.2554 9.9366 9.9366 9.9380 9.9380 10.7114 10.7114 12.1117 12.1117 14.5164 14.5164 18.2415 18.2415 19.6164 19.6164 20.7832 20.7832 k = 0.3871-0.3884 0.0000 ( 1488 PWs) bands (ev): -7.6862 -7.6862 -5.3999 -5.3999 -4.1155 -4.1155 -1.7092 -1.7092 2.4429 2.4429 2.8771 2.8771 4.1241 4.1241 4.2416 4.2416 6.1961 6.1961 6.7874 6.7874 7.5610 7.5610 8.3038 8.3038 9.8999 9.8999 9.9385 9.9385 10.6619 10.6619 12.1393 12.1393 14.4694 14.4694 18.2462 18.2462 19.6010 19.6010 20.7375 20.7375 k = 0.3790-0.3803 0.0000 ( 1486 PWs) bands (ev): -7.7367 -7.7367 -5.3772 -5.3772 -4.0939 -4.0939 -1.6296 -1.6296 2.4159 2.4159 2.8763 2.8763 4.0870 4.0870 4.2187 4.2187 6.1965 6.1965 6.9009 6.9009 7.4776 7.4776 8.3591 8.3591 9.8647 9.8647 9.9418 9.9418 10.6123 10.6123 12.1668 12.1668 14.4195 14.4195 18.2469 18.2469 19.5680 19.5680 20.6922 20.6922 k = 0.3710-0.3722 0.0000 ( 1480 PWs) bands (ev): -7.7888 -7.7888 -5.3531 -5.3531 -4.0701 -4.0701 -1.5488 -1.5488 2.3865 2.3865 2.8760 2.8760 4.0552 4.0552 4.2002 4.2002 6.1867 6.1867 7.0013 7.0013 7.4021 7.4021 8.4210 8.4210 9.8324 9.8324 9.9475 9.9475 10.5627 10.5627 12.1943 12.1943 14.3672 14.3672 18.2429 18.2429 19.5164 19.5164 20.6484 20.6484 k = 0.3629-0.3641 0.0000 ( 1476 PWs) bands (ev): -7.8421 -7.8421 -5.3275 -5.3275 -4.0440 -4.0440 -1.4674 -1.4674 2.3547 2.3547 2.8767 2.8767 4.0286 4.0286 4.1860 4.1860 6.1667 6.1667 7.0605 7.0605 7.3629 7.3629 8.4892 8.4892 9.8035 9.8035 9.9556 9.9556 10.5135 10.5135 12.2216 12.2216 14.3124 14.3124 18.2334 18.2334 19.4467 19.4467 20.6069 20.6069 k = 0.3548-0.3560 0.0000 ( 1478 PWs) bands (ev): -7.8965 -7.8965 -5.3006 -5.3006 -4.0157 -4.0157 -1.3860 -1.3860 2.3208 2.3208 2.8788 2.8788 4.0071 4.0071 4.1761 4.1761 6.1365 6.1365 7.0370 7.0370 7.4014 7.4014 8.5630 8.5630 9.7788 9.7788 9.9662 9.9662 10.4649 10.4649 12.2486 12.2486 14.2554 14.2554 18.2179 18.2179 19.3604 19.3604 20.5682 20.5682 k = 0.3468-0.3479 0.0000 ( 1472 PWs) bands (ev): -7.9517 -7.9517 -5.2723 -5.2723 -3.9852 -3.9852 -1.3052 -1.3052 2.2848 2.2848 2.8827 2.8827 3.9906 3.9906 4.1706 4.1706 6.0965 6.0965 6.9546 6.9546 7.4943 7.4943 8.6415 8.6415 9.7592 9.7592 9.9793 9.9793 10.4170 10.4170 12.2754 12.2754 14.1965 14.1965 18.1959 18.1959 19.2600 19.2600 20.5327 20.5327 k = 0.3387-0.3398 0.0000 ( 1470 PWs) bands (ev): -8.0075 -8.0075 -5.2427 -5.2427 -3.9525 -3.9525 -1.2256 -1.2256 2.2470 2.2470 2.8891 2.8891 3.9788 3.9788 4.1693 4.1693 6.0473 6.0473 6.8489 6.8489 7.6057 7.6057 8.7233 8.7233 9.7456 9.7456 9.9948 9.9948 10.3703 10.3703 12.3021 12.3021 14.1357 14.1357 18.1671 18.1671 19.1479 19.1479 20.5007 20.5007 k = 0.3306-0.3317 0.0000 ( 1468 PWs) bands (ev): -8.0637 -8.0637 -5.2118 -5.2118 -3.9176 -3.9176 -1.1478 -1.1478 2.2076 2.2076 2.8985 2.8985 3.9715 3.9715 4.1720 4.1720 5.9894 5.9894 6.7327 6.7327 7.7233 7.7233 8.8070 8.8070 9.7391 9.7391 10.0124 10.0124 10.3252 10.3252 12.3285 12.3285 14.0733 14.0733 18.1313 18.1313 19.0264 19.0264 20.4719 20.4719 k = 0.3226-0.3237 0.0000 ( 1470 PWs) bands (ev): -8.1201 -8.1201 -5.1796 -5.1796 -3.8805 -3.8805 -1.0725 -1.0725 2.1668 2.1668 2.9116 2.9116 3.9682 3.9682 4.1785 4.1785 5.9235 5.9235 6.6101 6.6101 7.8430 7.8430 8.8904 8.8904 9.7412 9.7412 10.0317 10.0317 10.2824 10.2824 12.3547 12.3547 14.0093 14.0093 18.0886 18.0886 18.8977 18.8977 20.4462 20.4462 k = 0.3145-0.3156 0.0000 ( 1470 PWs) bands (ev): -8.1766 -8.1766 -5.1462 -5.1462 -3.8413 -3.8413 -1.0002 -1.0002 2.1249 2.1249 2.9290 2.9290 3.9688 3.9688 4.1887 4.1887 5.8504 5.8504 6.4829 6.4829 7.9630 7.9630 8.9712 8.9712 9.7539 9.7539 10.0511 10.0511 10.2437 10.2437 12.3809 12.3809 13.9441 13.9441 18.0392 18.0392 18.7633 18.7633 20.4231 20.4231 k = 0.3065-0.3075 0.0000 ( 1474 PWs) bands (ev): -8.2329 -8.2329 -5.1117 -5.1117 -3.8000 -3.8000 -0.9314 -0.9314 2.0822 2.0822 2.9513 2.9513 3.9729 3.9729 4.2024 4.2024 5.7708 5.7708 6.3522 6.3522 8.0822 8.0822 9.0466 9.0466 9.7793 9.7793 10.0668 10.0668 10.2130 10.2130 12.4070 12.4070 13.8777 13.8777 17.9834 17.9834 18.6245 18.6245 20.4020 20.4020 k = 0.2984-0.2994 0.0000 ( 1476 PWs) bands (ev): -8.2890 -8.2890 -5.0761 -5.0761 -3.7567 -3.7567 -0.8668 -0.8668 2.0388 2.0388 2.9790 2.9790 3.9801 3.9801 4.2192 4.2192 5.6854 5.6854 6.2187 6.2187 8.1999 8.1999 9.1139 9.1139 9.8195 9.8195 10.0701 10.0701 10.1993 10.1993 12.4332 12.4332 13.8103 13.8103 17.9218 17.9218 18.4826 18.4826 20.3825 20.3825 k = 0.2903-0.2913 0.0000 ( 1474 PWs) bands (ev): -8.3447 -8.3447 -5.0393 -5.0393 -3.7113 -3.7113 -0.8066 -0.8066 1.9949 1.9949 3.0127 3.0127 3.9903 3.9903 4.2390 4.2390 5.5949 5.5949 6.0830 6.0830 8.3156 8.3156 9.1712 9.1712 9.8759 9.8759 10.0542 10.0542 10.2095 10.2095 12.4595 12.4595 13.7421 13.7421 17.8548 17.8548 18.3384 18.3384 20.3639 20.3639 k = 0.2823-0.2832 0.0000 ( 1472 PWs) bands (ev): -8.3998 -8.3998 -5.0016 -5.0016 -3.6640 -3.6640 -0.7512 -0.7512 1.9509 1.9509 3.0527 3.0527 4.0030 4.0030 4.2616 4.2616 5.5000 5.5000 5.9456 5.9456 8.4287 8.4287 9.2179 9.2179 9.9485 9.9485 10.0258 10.0258 10.2373 10.2373 12.4861 12.4861 13.6733 13.6733 17.7831 17.7831 18.1925 18.1925 20.3455 20.3455 k = 0.2742-0.2751 0.0000 ( 1474 PWs) bands (ev): -8.4543 -8.4543 -4.9629 -4.9629 -3.6147 -3.6147 -0.7011 -0.7011 1.9070 1.9070 3.0992 3.0992 4.0179 4.0179 4.2866 4.2866 5.4014 5.4014 5.8068 5.8068 8.5387 8.5387 9.2549 9.2549 9.9925 9.9925 10.0357 10.0357 10.2750 10.2750 12.5132 12.5132 13.6039 13.6039 17.7074 17.7074 18.0457 18.0457 20.3268 20.3268 k = 0.2661-0.2670 0.0000 ( 1474 PWs) bands (ev): -8.5081 -8.5081 -4.9233 -4.9233 -3.5635 -3.5635 -0.6563 -0.6563 1.8632 1.8632 3.1525 3.1525 4.0349 4.0349 4.3139 4.3139 5.2997 5.2997 5.6671 5.6671 8.6452 8.6452 9.2842 9.2842 9.9581 9.9581 10.1351 10.1351 10.3193 10.3193 12.5408 12.5408 13.5342 13.5342 17.6281 17.6281 17.8984 17.8984 20.3073 20.3073 k = 0.2581-0.2589 0.0000 ( 1476 PWs) bands (ev): -8.5610 -8.5610 -4.8829 -4.8829 -3.5105 -3.5105 -0.6170 -0.6170 1.8198 1.8198 3.2126 3.2126 4.0537 4.0537 4.3431 4.3431 5.1955 5.1955 5.5268 5.5268 8.7477 8.7477 9.3077 9.3077 9.9237 9.9237 10.2442 10.2442 10.3688 10.3688 12.5692 12.5692 13.4643 13.4643 17.5460 17.5460 17.7511 17.7511 20.2868 20.2868 k = 0.2500-0.2508 0.0000 ( 1474 PWs) bands (ev): -8.6129 -8.6129 -4.8418 -4.8418 -3.4557 -3.4557 -0.5833 -0.5833 1.7769 1.7769 3.2794 3.2794 4.0740 4.0740 4.3740 4.3740 5.0894 5.0894 5.3862 5.3862 8.8458 8.8458 9.3271 9.3271 9.8902 9.8902 10.3607 10.3607 10.4230 10.4230 12.5985 12.5985 13.3944 13.3944 17.4615 17.4615 17.6043 17.6043 20.2649 20.2649 k = 0.2419-0.2427 0.0000 ( 1472 PWs) bands (ev): -8.6639 -8.6639 -4.7999 -4.7999 -3.3992 -3.3992 -0.5550 -0.5550 1.7347 1.7347 3.3528 3.3528 4.0956 4.0956 4.4062 4.4062 4.9823 4.9823 5.2456 5.2456 8.9393 8.9393 9.3439 9.3439 9.8577 9.8577 10.4795 10.4795 10.4848 10.4848 12.6290 12.6290 13.3248 13.3248 17.3753 17.3753 17.4582 17.4582 20.2417 20.2417 k = 0.2339-0.2346 0.0000 ( 1468 PWs) bands (ev): -8.7137 -8.7137 -4.7575 -4.7575 -3.3410 -3.3410 -0.5320 -0.5320 1.6933 1.6933 3.4324 3.4324 4.1183 4.1183 4.4389 4.4389 4.8750 4.8750 5.1055 5.1055 9.0279 9.0279 9.3590 9.3590 9.8266 9.8266 10.5436 10.5436 10.6092 10.6092 12.6609 12.6609 13.2556 13.2556 17.2877 17.2877 17.3133 17.3133 20.2170 20.2170 k = 0.2258-0.2266 0.0000 ( 1464 PWs) bands (ev): -8.7623 -8.7623 -4.7146 -4.7146 -3.2811 -3.2811 -0.5141 -0.5141 1.6529 1.6529 3.5179 3.5179 4.1418 4.1418 4.4704 4.4704 4.7695 4.7695 4.9661 4.9661 9.1115 9.1115 9.3729 9.3729 9.7969 9.7969 10.6095 10.6095 10.7382 10.7382 12.6945 12.6945 13.1872 13.1872 17.1698 17.1698 17.1993 17.1993 20.1757 20.1757 k = 0.2177-0.2185 0.0000 ( 1466 PWs) bands (ev): -8.8097 -8.8097 -4.6712 -4.6712 -3.2197 -3.2197 -0.5011 -0.5011 1.6135 1.6135 3.6088 3.6088 4.1658 4.1658 4.4943 4.4943 4.6725 4.6725 4.8279 4.8279 9.1901 9.1901 9.3861 9.3861 9.7687 9.7687 10.6784 10.6784 10.8691 10.8691 12.7300 12.7300 13.1198 13.1198 17.0279 17.0279 17.1104 17.1104 20.0577 20.0577 k = 0.2097-0.2104 0.0000 ( 1466 PWs) bands (ev): -8.8557 -8.8557 -4.6276 -4.6276 -3.1568 -3.1568 -0.4927 -0.4927 1.5753 1.5753 3.7044 3.7044 4.1898 4.1898 4.4795 4.4795 4.6153 4.6153 4.6915 4.6915 9.2636 9.2636 9.3990 9.3990 9.7421 9.7421 10.7497 10.7497 11.0008 11.0008 12.7677 12.7677 13.0539 13.0539 16.8881 16.8881 17.0213 17.0213 19.9300 19.9300 k = 0.2016-0.2023 0.0000 ( 1466 PWs) bands (ev): -8.9004 -8.9004 -4.5838 -4.5838 -3.0925 -3.0925 -0.4886 -0.4886 1.5382 1.5382 3.8042 3.8042 4.2129 4.2129 4.4000 4.4000 4.5581 4.5581 4.6241 4.6241 9.3323 9.3323 9.4116 9.4116 9.7173 9.7173 10.8228 10.8228 11.1326 11.1326 12.8078 12.8078 12.9900 12.9900 16.7506 16.7506 16.9324 16.9324 19.7931 19.7931 k = 0.1935-0.1942 0.0000 ( 1468 PWs) bands (ev): -8.9437 -8.9437 -4.5398 -4.5398 -3.0268 -3.0268 -0.4884 -0.4884 1.5025 1.5025 3.9073 3.9073 4.2310 4.2310 4.2992 4.2992 4.4322 4.4322 4.6556 4.6556 9.3961 9.3961 9.4240 9.4240 9.6944 9.6944 10.8968 10.8968 11.2633 11.2633 12.8507 12.8507 12.9288 12.9288 16.6156 16.6156 16.8440 16.8440 19.6480 19.6480 k = 0.1855-0.1861 0.0000 ( 1472 PWs) bands (ev): -8.9855 -8.9855 -4.4959 -4.4959 -2.9599 -2.9599 -0.4919 -0.4919 1.4682 1.4682 4.0126 4.0126 4.1943 4.1943 4.2188 4.2188 4.3396 4.3396 4.6928 4.6928 9.4363 9.4363 9.4551 9.4551 9.6737 9.6737 10.9711 10.9711 11.3918 11.3918 12.8712 12.8712 12.8966 12.8966 16.4834 16.4834 16.7562 16.7562 19.4955 19.4955 k = 0.1774-0.1780 0.0000 ( 1472 PWs) bands (ev): -9.0258 -9.0258 -4.4522 -4.4522 -2.8918 -2.8918 -0.4988 -0.4988 1.4353 1.4353 4.0889 4.0889 4.1124 4.1124 4.1339 4.1339 4.3300 4.3300 4.7320 4.7320 9.4487 9.4487 9.5086 9.5086 9.6562 9.6562 11.0449 11.0449 11.5163 11.5163 12.8189 12.8189 12.9455 12.9455 16.3544 16.3544 16.6693 16.6693 19.3369 19.3369 k = 0.1694-0.1699 0.0000 ( 1470 PWs) bands (ev): -9.0645 -9.0645 -4.4087 -4.4087 -2.8225 -2.8225 -0.5087 -0.5087 1.4040 1.4040 3.9849 3.9849 4.0067 4.0067 4.2218 4.2218 4.3569 4.3569 4.7721 4.7721 9.4609 9.4609 9.5536 9.5536 9.6452 9.6452 11.1174 11.1174 11.6347 11.6347 12.7737 12.7737 12.9978 12.9978 16.2286 16.2286 16.5834 16.5834 19.1735 19.1735 k = 0.1613-0.1618 0.0000 ( 1470 PWs) bands (ev): -9.1017 -9.1017 -4.3657 -4.3657 -2.7524 -2.7524 -0.5215 -0.5215 1.3742 1.3742 3.8824 3.8824 3.8843 3.8843 4.3054 4.3054 4.4086 4.4086 4.8126 4.8126 9.4730 9.4730 9.5787 9.5787 9.6524 9.6524 11.1879 11.1879 11.7437 11.7437 12.7387 12.7387 13.0534 13.0534 16.1064 16.1064 16.4986 16.4986 19.0065 19.0065 k = 0.1532-0.1537 0.0000 ( 1468 PWs) bands (ev): -9.1372 -9.1372 -4.3232 -4.3232 -2.6813 -2.6813 -0.5369 -0.5369 1.3461 1.3461 3.7630 3.7630 3.7819 3.7819 4.3557 4.3557 4.4957 4.4957 4.8531 4.8531 9.4849 9.4849 9.5785 9.5785 9.6834 9.6834 11.2558 11.2558 11.8389 11.8389 12.7184 12.7184 13.1124 13.1124 15.9881 15.9881 16.4151 16.4151 18.8375 18.8375 k = 0.1452-0.1456 0.0000 ( 1466 PWs) bands (ev): -9.1711 -9.1711 -4.2814 -4.2814 -2.6095 -2.6095 -0.5547 -0.5547 1.3195 1.3195 3.6442 3.6442 3.6840 3.6840 4.3886 4.3886 4.6003 4.6003 4.8933 4.8933 9.4966 9.4966 9.5691 9.5691 9.7224 9.7224 11.3206 11.3206 11.9147 11.9147 12.7180 12.7180 13.1747 13.1747 15.8739 15.8739 16.3328 16.3328 18.6676 18.6676 k = 0.1371-0.1376 0.0000 ( 1462 PWs) bands (ev): -9.2032 -9.2032 -4.2405 -4.2405 -2.5371 -2.5371 -0.5747 -0.5747 1.2947 1.2947 3.5285 3.5285 3.5889 3.5889 4.4160 4.4160 4.7094 4.7094 4.9330 4.9330 9.5082 9.5082 9.5581 9.5581 9.7619 9.7619 11.3820 11.3820 11.9663 11.9663 12.7424 12.7424 13.2399 13.2399 15.7640 15.7640 16.2519 16.2519 18.4982 18.4982 k = 0.1290-0.1295 0.0000 ( 1464 PWs) bands (ev): -9.2337 -9.2337 -4.2007 -4.2007 -2.4642 -2.4642 -0.5969 -0.5969 1.2715 1.2715 3.4165 3.4165 3.4968 3.4968 4.4409 4.4409 4.8188 4.8188 4.9720 4.9720 9.5194 9.5194 9.5474 9.5474 9.8002 9.8002 11.4396 11.4396 11.9922 11.9922 12.7927 12.7927 13.3076 13.3076 15.6588 15.6588 16.1724 16.1724 18.3304 18.3304 k = 0.1210-0.1214 0.0000 ( 1462 PWs) bands (ev): -9.2624 -9.2624 -4.1621 -4.1621 -2.3910 -2.3910 -0.6210 -0.6210 1.2500 1.2500 3.3086 3.3086 3.4083 3.4083 4.4644 4.4644 4.9270 4.9270 5.0100 5.0100 9.5302 9.5302 9.5375 9.5375 9.8369 9.8369 11.4932 11.4932 11.9959 11.9959 12.8654 12.8654 13.3775 13.3775 15.5585 15.5585 16.0943 16.0943 18.1656 18.1656 k = 0.1129-0.1133 0.0000 ( 1460 PWs) bands (ev): -9.2894 -9.2894 -4.1248 -4.1248 -2.3176 -2.3176 -0.6470 -0.6470 1.2302 1.2302 3.2051 3.2051 3.3236 3.3236 4.4865 4.4865 5.0327 5.0327 5.0468 5.0468 9.5285 9.5285 9.5407 9.5407 9.8718 9.8718 11.5429 11.5429 11.9836 11.9836 12.9543 12.9543 13.4488 13.4488 15.4634 15.4634 16.0176 16.0176 18.0047 18.0047 k = 0.1048-0.1052 0.0000 ( 1462 PWs) bands (ev): -9.3146 -9.3146 -4.0891 -4.0891 -2.2443 -2.2443 -0.6749 -0.6749 1.2121 1.2121 3.1065 3.1065 3.2429 3.2429 4.5073 4.5073 5.0822 5.0822 5.1352 5.1352 9.5205 9.5205 9.5507 9.5507 9.9048 9.9048 11.5885 11.5885 11.9610 11.9610 13.0533 13.0533 13.5209 13.5209 15.3736 15.3736 15.9422 15.9422 17.8488 17.8488 k = 0.0968-0.0971 0.0000 ( 1460 PWs) bands (ev): -9.3380 -9.3380 -4.0552 -4.0552 -2.1713 -2.1713 -0.7045 -0.7045 1.1956 1.1956 3.0131 3.0131 3.1666 3.1666 4.5269 4.5269 5.1161 5.1161 5.2336 5.2336 9.5134 9.5134 9.5601 9.5601 9.9360 9.9360 11.6302 11.6302 11.9325 11.9325 13.1579 13.1579 13.5930 13.5930 15.2896 15.2896 15.8684 15.8684 17.6991 17.6991 k = 0.0887-0.0890 0.0000 ( 1460 PWs) bands (ev): -9.3596 -9.3596 -4.0231 -4.0231 -2.0988 -2.0988 -0.7358 -0.7358 1.1808 1.1808 2.9252 2.9252 3.0949 3.0949 4.5452 4.5452 5.1481 5.1481 5.3273 5.3273 9.5073 9.5073 9.5690 9.5690 9.9653 9.9653 11.6681 11.6681 11.9011 11.9011 13.2648 13.2648 13.6642 13.6642 15.2114 15.2114 15.7961 15.7961 17.5566 17.5566 k = 0.0806-0.0809 0.0000 ( 1462 PWs) bands (ev): -9.3794 -9.3794 -3.9931 -3.9931 -2.0271 -2.0271 -0.7687 -0.7687 1.1676 1.1676 2.8433 2.8433 3.0282 3.0282 4.5622 4.5622 5.1782 5.1782 5.4155 5.4155 9.5021 9.5021 9.5773 9.5773 9.9927 9.9927 11.7021 11.7021 11.8690 11.8690 13.3716 13.3716 13.7337 13.7337 15.1394 15.1394 15.7254 15.7254 17.4222 17.4222 k = 0.0726-0.0728 0.0000 ( 1466 PWs) bands (ev): -9.3973 -9.3973 -3.9654 -3.9654 -1.9566 -1.9566 -0.8032 -0.8032 1.1560 1.1560 2.7678 2.7678 2.9668 2.9668 4.5777 4.5777 5.2060 5.2060 5.4977 5.4977 9.4976 9.4976 9.5850 9.5850 10.0180 10.0180 11.7325 11.7325 11.8373 11.8373 13.4766 13.4766 13.8004 13.8004 15.0736 15.0736 15.6565 15.6565 17.2969 17.2969 k = 0.0645-0.0647 0.0000 ( 1464 PWs) bands (ev): -9.4134 -9.4134 -3.9401 -3.9401 -1.8875 -1.8875 -0.8390 -0.8390 1.1459 1.1459 2.6989 2.6989 2.9109 2.9109 4.5917 4.5917 5.2315 5.2315 5.5731 5.5731 9.4939 9.4939 9.5920 9.5920 10.0412 10.0412 11.7595 11.7595 11.8073 11.8073 13.5781 13.5781 13.8634 13.8634 15.0143 15.0143 15.5899 15.5899 17.1818 17.1818 k = 0.0565-0.0566 0.0000 ( 1461 PWs) bands (ev): -9.4276 -9.4276 -3.9174 -3.9174 -1.8205 -1.8205 -0.8759 -0.8759 1.1372 1.1372 2.6372 2.6372 2.8607 2.8607 4.6043 4.6043 5.2544 5.2544 5.6412 5.6412 9.4909 9.4909 9.5982 9.5982 10.0621 10.0621 11.7794 11.7794 11.7832 11.7832 13.6748 13.6748 13.9219 13.9219 14.9616 14.9616 15.5259 15.5259 17.0776 17.0776 k = 0.0484-0.0485 0.0000 ( 1455 PWs) bands (ev): -9.4399 -9.4399 -3.8973 -3.8973 -1.7562 -1.7562 -0.9135 -0.9135 1.1298 1.1298 2.5829 2.5829 2.8167 2.8167 4.6152 4.6152 5.2747 5.2747 5.7015 5.7015 9.4884 9.4884 9.6036 9.6036 10.0807 10.0807 11.7545 11.7545 11.8033 11.8033 13.7653 13.7653 13.9749 13.9749 14.9157 14.9157 15.4653 15.4653 16.9855 16.9855 k = 0.0403-0.0405 0.0000 ( 1457 PWs) bands (ev): -9.4503 -9.4503 -3.8802 -3.8802 -1.6956 -1.6956 -0.9511 -0.9511 1.1238 1.1238 2.5363 2.5363 2.7789 2.7789 4.6246 4.6246 5.2920 5.2920 5.7533 5.7533 9.4864 9.4864 9.6083 9.6083 10.0967 10.0967 11.7327 11.7327 11.8203 11.8203 13.8476 13.8476 14.0215 14.0215 14.8765 14.8765 15.4092 15.4092 16.9060 16.9060 k = 0.0323-0.0324 0.0000 ( 1457 PWs) bands (ev): -9.4589 -9.4589 -3.8659 -3.8659 -1.6397 -1.6397 -0.9878 -0.9878 1.1190 1.1190 2.4978 2.4978 2.7477 2.7477 4.6323 4.6323 5.3064 5.3064 5.7964 5.7964 9.4848 9.4848 9.6122 9.6122 10.1100 10.1100 11.7145 11.7145 11.8342 11.8342 13.9199 13.9199 14.0610 14.0610 14.8442 14.8442 15.3589 15.3589 16.8399 16.8399 k = 0.0242-0.0243 0.0000 ( 1455 PWs) bands (ev): -9.4655 -9.4655 -3.8547 -3.8547 -1.5906 -1.5906 -1.0217 -1.0217 1.1153 1.1153 2.4675 2.4675 2.7232 2.7232 4.6384 4.6384 5.3178 5.3178 5.8303 5.8303 9.4837 9.4837 9.6152 9.6152 10.1205 10.1205 11.7001 11.7001 11.8449 11.8449 13.9801 13.9801 14.0926 14.0926 14.8190 14.8190 15.3164 15.3164 16.7879 16.7879 k = 0.0161-0.0162 0.0000 ( 1455 PWs) bands (ev): -9.4703 -9.4703 -3.8467 -3.8467 -1.5511 -1.5511 -1.0503 -1.0503 1.1127 1.1127 2.4458 2.4458 2.7056 2.7056 4.6427 4.6427 5.3259 5.3259 5.8547 5.8547 9.4829 9.4829 9.6174 9.6174 10.1281 10.1281 11.6897 11.6897 11.8526 11.8526 14.0256 14.0256 14.1157 14.1157 14.8008 14.8008 15.2836 15.2836 16.7503 16.7503 k = 0.0081-0.0081 0.0000 ( 1459 PWs) bands (ev): -9.4731 -9.4731 -3.8419 -3.8419 -1.5248 -1.5248 -1.0700 -1.0700 1.1111 1.1111 2.4327 2.4327 2.6950 2.6950 4.6453 4.6453 5.3308 5.3308 5.8694 5.8694 9.4825 9.4825 9.6186 9.6186 10.1327 10.1327 11.6834 11.6834 11.8571 11.8571 14.0540 14.0540 14.1298 14.1298 14.7898 14.7898 15.2629 15.2629 16.7277 16.7277 k = 0.0000 0.0000 0.0000 ( 1461 PWs) bands (ev): -9.4741 -9.4741 -3.8402 -3.8402 -1.5155 -1.5155 -1.0771 -1.0771 1.1106 1.1106 2.4283 2.4283 2.6915 2.6915 4.6461 4.6461 5.3325 5.3325 5.8743 5.8743 9.4823 9.4823 9.6191 9.6191 10.1342 10.1342 11.6813 11.6813 11.8586 11.8586 14.0637 14.0637 14.1345 14.1345 14.7861 14.7861 15.2557 15.2557 16.7201 16.7201 k = 0.0000 0.0000 0.0000 ( 1461 PWs) bands (ev): -9.4741 -9.4741 -3.8402 -3.8402 -1.5155 -1.5155 -1.0771 -1.0771 1.1106 1.1106 2.4283 2.4283 2.6915 2.6915 4.6461 4.6461 5.3325 5.3325 5.8743 5.8743 9.4823 9.4823 9.6191 9.6191 10.1342 10.1342 11.6813 11.6813 11.8586 11.8586 14.0637 14.0637 14.1345 14.1345 14.7861 14.7861 15.2557 15.2557 16.7201 16.7201 k = 0.0111-0.0000-0.0023 ( 1460 PWs) bands (ev): -9.4732 -9.4732 -3.8416 -3.8416 -1.5202 -1.5202 -1.0765 -1.0765 1.1139 1.1139 2.4299 2.4299 2.6952 2.6952 4.6459 4.6459 5.3325 5.3325 5.8723 5.8723 9.4784 9.4784 9.6187 9.6187 10.1327 10.1327 11.6610 11.6610 11.8768 11.8768 14.0575 14.0575 14.1277 14.1277 14.7895 14.7895 15.2682 15.2682 16.7246 16.7246 k = 0.0222-0.0001-0.0047 ( 1458 PWs) bands (ev): -9.4705 -9.4705 -3.8458 -3.8458 -1.5343 -1.5343 -1.0746 -1.0746 1.1233 1.1233 2.4347 2.4347 2.7065 2.7065 4.6452 4.6452 5.3325 5.3325 5.8663 5.8663 9.4668 9.4668 9.6173 9.6173 10.1280 10.1280 11.6141 11.6141 11.9172 11.9172 14.0359 14.0359 14.1115 14.1115 14.7994 14.7994 15.3044 15.3044 16.7382 16.7382 k = 0.0333-0.0001-0.0070 ( 1455 PWs) bands (ev): -9.4660 -9.4660 -3.8528 -3.8528 -1.5572 -1.5572 -1.0715 -1.0715 1.1386 1.1386 2.4427 2.4427 2.7253 2.7253 4.6440 4.6440 5.3326 5.3326 5.8563 5.8563 9.4481 9.4481 9.6143 9.6143 10.1205 10.1205 11.5557 11.5557 11.9646 11.9646 13.9952 13.9952 14.0937 14.0937 14.8154 14.8154 15.3609 15.3609 16.7608 16.7608 k = 0.0444-0.0001-0.0093 ( 1455 PWs) bands (ev): -9.4596 -9.4596 -3.8626 -3.8626 -1.5881 -1.5881 -1.0673 -1.0673 1.1589 1.1589 2.4537 2.4537 2.7519 2.7519 4.6422 4.6422 5.3329 5.3329 5.8424 5.8424 9.4228 9.4228 9.6090 9.6090 10.1105 10.1105 11.4916 11.4916 12.0131 12.0131 13.9377 13.9377 14.0768 14.0768 14.8371 14.8371 15.4335 15.4335 16.7922 16.7922 k = 0.0556-0.0002-0.0116 ( 1456 PWs) bands (ev): -9.4515 -9.4515 -3.8755 -3.8755 -1.6262 -1.6262 -1.0620 -1.0620 1.1834 1.1834 2.4676 2.4676 2.7863 2.7863 4.6398 4.6398 5.3336 5.3336 5.8247 5.8247 9.3915 9.3915 9.6009 9.6009 10.0983 10.0983 11.4236 11.4236 12.0601 12.0601 13.8690 13.8690 14.0597 14.0597 14.8642 14.8642 15.5186 15.5186 16.8322 16.8322 k = 0.0667-0.0002-0.0140 ( 1459 PWs) bands (ev): -9.4416 -9.4416 -3.8913 -3.8913 -1.6703 -1.6703 -1.0555 -1.0555 1.2111 1.2111 2.4842 2.4842 2.8288 2.8288 4.6367 4.6367 5.3347 5.3347 5.8032 5.8032 9.3546 9.3546 9.5893 9.5893 10.0847 10.0847 11.3526 11.3526 12.1043 12.1043 13.7939 13.7939 14.0417 14.0417 14.8966 14.8966 15.6130 15.6130 16.8807 16.8807 k = 0.0778-0.0003-0.0163 ( 1461 PWs) bands (ev): -9.4300 -9.4300 -3.9104 -3.9104 -1.7193 -1.7193 -1.0480 -1.0480 1.2410 1.2410 2.5034 2.5034 2.8794 2.8794 4.6328 4.6328 5.3364 5.3364 5.7782 5.7782 9.3125 9.3125 9.5735 9.5735 10.0702 10.0702 11.2791 11.2791 12.1443 12.1443 13.7158 13.7158 14.0226 14.0226 14.9339 14.9339 15.7144 15.7144 16.9373 16.9373 k = 0.0889-0.0003-0.0186 ( 1461 PWs) bands (ev): -9.4165 -9.4165 -3.9328 -3.9328 -1.7721 -1.7721 -1.0395 -1.0395 1.2724 1.2724 2.5251 2.5251 2.9379 2.9379 4.6282 4.6282 5.3390 5.3390 5.7497 5.7497 9.2657 9.2657 9.5531 9.5531 10.0558 10.0558 11.2033 11.2033 12.1788 12.1788 13.6373 13.6373 14.0031 14.0031 14.9760 14.9760 15.8212 15.8212 17.0019 17.0019 k = 0.1000-0.0003-0.0209 ( 1465 PWs) bands (ev): -9.4013 -9.4013 -3.9586 -3.9586 -1.8277 -1.8277 -1.0299 -1.0299 1.3044 1.3044 2.5490 2.5490 3.0043 3.0043 4.6226 4.6226 5.3426 5.3426 5.7180 5.7180 9.2144 9.2144 9.5275 9.5275 10.0420 10.0420 11.1255 11.1255 12.2059 12.2059 13.5608 13.5608 13.9838 13.9838 15.0228 15.0228 15.9320 15.9320 17.0740 17.0740 k = 0.1111-0.0004-0.0233 ( 1466 PWs) bands (ev): -9.3844 -9.3844 -3.9879 -3.9879 -1.8849 -1.8849 -1.0195 -1.0195 1.3364 1.3364 2.5751 2.5751 3.0782 3.0782 4.6161 4.6161 5.3473 5.3473 5.6833 5.6833 9.1589 9.1589 9.4963 9.4963 10.0297 10.0297 11.0460 11.0460 12.2237 12.2237 13.4882 13.4882 13.9655 13.9655 15.0741 15.0741 16.0458 16.0458 17.1533 17.1533 k = 0.1222-0.0004-0.0256 ( 1466 PWs) bands (ev): -9.3658 -9.3658 -4.0210 -4.0210 -1.9428 -1.9428 -1.0080 -1.0080 1.3680 1.3680 2.6032 2.6032 3.1592 3.1592 4.6086 4.6086 5.3532 5.3532 5.6461 5.6461 9.0997 9.0997 9.4592 9.4592 10.0195 10.0195 10.9648 10.9648 12.2300 12.2300 13.4215 13.4215 13.9496 13.9496 15.1298 15.1298 16.1618 16.1618 17.2397 17.2397 k = 0.1333-0.0004-0.0279 ( 1470 PWs) bands (ev): -9.3456 -9.3456 -4.0579 -4.0579 -2.0005 -2.0005 -0.9958 -0.9958 1.3989 1.3989 2.6333 2.6333 3.2469 3.2469 4.6002 4.6002 5.3603 5.3603 5.6066 5.6066 9.0371 9.0371 9.4163 9.4163 10.0115 10.0115 10.8823 10.8823 12.2228 12.2228 13.3617 13.3617 13.9371 13.9371 15.1897 15.1897 16.2793 16.2793 17.3325 17.3325 k = 0.1444-0.0005-0.0302 ( 1470 PWs) bands (ev): -9.3236 -9.3236 -4.0986 -4.0986 -2.0574 -2.0574 -0.9827 -0.9827 1.4290 1.4290 2.6652 2.6652 3.3407 3.3407 4.5909 4.5909 5.3681 5.3681 5.5658 5.5658 8.9714 8.9714 9.3676 9.3676 10.0063 10.0063 10.7986 10.7986 12.2005 12.2005 13.3094 13.3094 13.9298 13.9298 15.2538 15.2538 16.3976 16.3976 17.4315 17.4315 k = 0.1556-0.0005-0.0326 ( 1469 PWs) bands (ev): -9.3001 -9.3001 -4.1432 -4.1432 -2.1128 -2.1128 -0.9688 -0.9688 1.4580 1.4580 2.6989 2.6989 3.4399 3.4399 4.5808 4.5808 5.3754 5.3754 5.5253 5.5253 8.9029 8.9029 9.3135 9.3135 10.0036 10.0036 10.7141 10.7141 12.1627 12.1627 13.2640 13.2640 13.9292 13.9292 15.3220 15.3220 16.5162 16.5162 17.5364 17.5364 k = 0.1667-0.0006-0.0349 ( 1471 PWs) bands (ev): -9.2749 -9.2749 -4.1918 -4.1918 -2.1661 -2.1661 -0.9542 -0.9542 1.4862 1.4862 2.7342 2.7342 3.5437 3.5437 4.5702 4.5702 5.3781 5.3781 5.4895 5.4895 8.8321 8.8321 9.2543 9.2543 10.0036 10.0036 10.6289 10.6289 12.1096 12.1096 13.2238 13.2238 13.9367 13.9367 15.3941 15.3941 16.6345 16.6345 17.6467 17.6467 k = 0.1778-0.0006-0.0372 ( 1471 PWs) bands (ev): -9.2483 -9.2483 -4.2441 -4.2441 -2.2170 -2.2170 -0.9389 -0.9389 1.5135 1.5135 2.7709 2.7709 3.6514 3.6514 4.5593 4.5593 5.3664 5.3664 5.4688 5.4688 8.7592 8.7592 9.1906 9.1906 10.0060 10.0060 10.5433 10.5433 12.0427 12.0427 13.1866 13.1866 13.9534 13.9534 15.4700 15.4700 16.7521 16.7521 17.7622 17.7622 k = 0.1889-0.0006-0.0395 ( 1468 PWs) bands (ev): -9.2201 -9.2201 -4.3002 -4.3002 -2.2650 -2.2650 -0.9231 -0.9231 1.5400 1.5400 2.8090 2.8090 3.7620 3.7620 4.5485 4.5485 5.3342 5.3342 5.4695 5.4695 8.6845 8.6845 9.1227 9.1227 10.0106 10.0106 10.4577 10.4577 11.9639 11.9639 13.1502 13.1502 13.9799 13.9799 15.5497 15.5497 16.8683 16.8683 17.8826 17.8826 k = 0.2000-0.0007-0.0419 ( 1467 PWs) bands (ev): -9.1904 -9.1904 -4.3598 -4.3598 -2.3101 -2.3101 -0.9067 -0.9067 1.5658 1.5658 2.8484 2.8484 3.8743 3.8743 4.5385 4.5385 5.2901 5.2901 5.4835 5.4835 8.6084 8.6084 9.0513 9.0513 10.0171 10.0171 10.3723 10.3723 11.8752 11.8752 13.1128 13.1128 14.0160 14.0160 15.6330 15.6330 16.9826 16.9826 18.0074 18.0074 k = 0.2111-0.0007-0.0442 ( 1466 PWs) bands (ev): -9.1594 -9.1594 -4.4227 -4.4227 -2.3522 -2.3522 -0.8898 -0.8898 1.5910 1.5910 2.8887 2.8887 3.9866 3.9866 4.5304 4.5304 5.2412 5.2412 5.5041 5.5041 8.5312 8.5312 8.9768 8.9768 10.0251 10.0251 10.2878 10.2878 11.7783 11.7783 13.0732 13.0732 14.0611 14.0611 15.7199 15.7199 17.0946 17.0946 18.1364 18.1364 k = 0.2222-0.0007-0.0465 ( 1467 PWs) bands (ev): -9.1271 -9.1271 -4.4886 -4.4886 -2.3910 -2.3910 -0.8726 -0.8726 1.6157 1.6157 2.9299 2.9299 4.0960 4.0960 4.5267 4.5267 5.1904 5.1904 5.5291 5.5291 8.4532 8.4532 8.8997 8.8997 10.0331 10.0331 10.2055 10.2055 11.6751 11.6751 13.0309 13.0309 14.1144 14.1144 15.8103 15.8103 17.2037 17.2037 18.2692 18.2692 k = 0.2333-0.0008-0.0488 ( 1465 PWs) bands (ev): -9.0935 -9.0935 -4.5572 -4.5572 -2.4268 -2.4268 -0.8550 -0.8550 1.6401 1.6401 2.9717 2.9717 4.1969 4.1969 4.5321 4.5321 5.1391 5.1391 5.5575 5.5575 8.3746 8.3746 8.8206 8.8206 10.0358 10.0358 10.1309 10.1309 11.5667 11.5667 12.9859 12.9859 14.1745 14.1745 15.9040 15.9040 17.3096 17.3096 18.4055 18.4055 k = 0.2444-0.0008-0.0512 ( 1470 PWs) bands (ev): -9.0587 -9.0587 -4.6281 -4.6281 -2.4595 -2.4595 -0.8372 -0.8372 1.6642 1.6642 3.0138 3.0138 4.2786 4.2786 4.5564 4.5564 5.0887 5.0887 5.5893 5.5893 8.2957 8.2957 8.7398 8.7398 10.0049 10.0049 10.0923 10.0923 11.4542 11.4542 12.9383 12.9383 14.2403 14.2403 16.0009 16.0009 17.4117 17.4117 18.5447 18.5447 k = 0.2556-0.0008-0.0535 ( 1470 PWs) bands (ev): -9.0228 -9.0228 -4.7010 -4.7010 -2.4893 -2.4893 -0.8192 -0.8192 1.6881 1.6881 3.0561 3.0561 4.3286 4.3286 4.6102 4.6102 5.0411 5.0411 5.6242 5.6242 8.2168 8.2168 8.6579 8.6579 9.9348 9.9348 10.0951 10.0951 11.3386 11.3386 12.8886 12.8886 14.3107 14.3107 16.1010 16.1010 17.5096 17.5096 18.6865 18.6865 k = 0.2667-0.0009-0.0558 ( 1469 PWs) bands (ev): -8.9859 -8.9859 -4.7753 -4.7753 -2.5164 -2.5164 -0.8012 -0.8012 1.7118 1.7118 3.0983 3.0983 4.3491 4.3491 4.6874 4.6874 5.0003 5.0003 5.6624 5.6624 8.1381 8.1381 8.5753 8.5753 9.8568 9.8568 10.1082 10.1082 11.2207 11.2207 12.8371 12.8371 14.3847 14.3847 16.2040 16.2040 17.6031 17.6031 18.8304 18.8304 k = 0.2778-0.0009-0.0581 ( 1471 PWs) bands (ev): -8.9482 -8.9482 -4.8508 -4.8508 -2.5408 -2.5408 -0.7833 -0.7833 1.7354 1.7354 3.1399 3.1399 4.3529 4.3529 4.7619 4.7619 4.9793 4.9793 5.7041 5.7041 8.0599 8.0599 8.4927 8.4927 9.7782 9.7782 10.1241 10.1241 11.1011 11.1011 12.7841 12.7841 14.4612 14.4612 16.3099 16.3099 17.6918 17.6918 18.9758 18.9758 k = 0.2889-0.0010-0.0605 ( 1472 PWs) bands (ev): -8.9096 -8.9096 -4.9269 -4.9269 -2.5629 -2.5629 -0.7654 -0.7654 1.7589 1.7589 3.1806 3.1806 4.3492 4.3492 4.7939 4.7939 5.0085 5.0085 5.7496 5.7496 7.9825 7.9825 8.4104 8.4104 9.7005 9.7005 10.1408 10.1408 10.9808 10.9808 12.7302 12.7302 14.5395 14.5395 16.4184 16.4184 17.7755 17.7755 19.1221 19.1221 k = 0.3000-0.0010-0.0628 ( 1470 PWs) bands (ev): -8.8705 -8.8705 -5.0033 -5.0033 -2.5827 -2.5827 -0.7478 -0.7478 1.7822 1.7822 3.2200 3.2200 4.3420 4.3420 4.7784 4.7784 5.0885 5.0885 5.7994 5.7994 7.9060 7.9060 8.3291 8.3291 9.6242 9.6242 10.1572 10.1572 10.8608 10.8608 12.6757 12.6757 14.6187 14.6187 16.5294 16.5294 17.8540 17.8540 19.2682 19.2682 k = 0.3111-0.0010-0.0651 ( 1471 PWs) bands (ev): -8.8309 -8.8309 -5.0795 -5.0795 -2.6005 -2.6005 -0.7304 -0.7304 1.8055 1.8055 3.2576 3.2576 4.3334 4.3334 4.7460 4.7460 5.1862 5.1862 5.8539 5.8539 7.8307 7.8307 8.2495 8.2495 9.5498 9.5498 10.1716 10.1716 10.7430 10.7430 12.6208 12.6208 14.6982 14.6982 16.6427 16.6427 17.9273 17.9273 19.4132 19.4132 k = 0.3222-0.0011-0.0674 ( 1473 PWs) bands (ev): -8.7910 -8.7910 -5.1552 -5.1552 -2.6164 -2.6164 -0.7134 -0.7134 1.8286 1.8286 3.2929 3.2929 4.3243 4.3243 4.7103 4.7103 5.2864 5.2864 5.9135 5.9135 7.7569 7.7569 8.1722 8.1722 9.4774 9.4774 10.1807 10.1807 10.6304 10.6304 12.5661 12.5661 14.7773 14.7773 16.7579 16.7579 17.9951 17.9951 19.5553 19.5553 k = 0.3333-0.0011-0.0698 ( 1475 PWs) bands (ev): -8.7511 -8.7511 -5.2297 -5.2297 -2.6306 -2.6306 -0.6969 -0.6969 1.8515 1.8515 3.3253 3.3253 4.3154 4.3154 4.6758 4.6758 5.3836 5.3836 5.9786 5.9786 7.6848 7.6848 8.0980 8.0980 9.4071 9.4071 10.1776 10.1776 10.5304 10.5304 12.5118 12.5118 14.8554 14.8554 16.8749 16.8749 18.0577 18.0577 19.6921 19.6921 k = 0.3444-0.0011-0.0721 ( 1476 PWs) bands (ev): -8.7113 -8.7113 -5.3028 -5.3028 -2.6432 -2.6432 -0.6810 -0.6810 1.8741 1.8741 3.3545 3.3545 4.3069 4.3069 4.6443 4.6443 5.4754 5.4754 6.0490 6.0490 7.6147 7.6147 8.0280 8.0280 9.3392 9.3392 10.1493 10.1493 10.4560 10.4560 12.4582 12.4582 14.9320 14.9320 16.9932 16.9932 18.1151 18.1151 19.8196 19.8196 k = 0.3556-0.0012-0.0744 ( 1475 PWs) bands (ev): -8.6718 -8.6718 -5.3740 -5.3740 -2.6544 -2.6544 -0.6657 -0.6657 1.8964 1.8964 3.3798 3.3798 4.2991 4.2991 4.6167 4.6167 5.5607 5.5607 6.1239 6.1239 7.5470 7.5470 7.9632 7.9632 9.2735 9.2735 10.0844 10.0844 10.4188 10.4188 12.4058 12.4058 15.0063 15.0063 17.1125 17.1125 18.1675 18.1675 19.9308 19.9308 k = 0.3667-0.0012-0.0767 ( 1478 PWs) bands (ev): -8.6331 -8.6331 -5.4428 -5.4428 -2.6642 -2.6642 -0.6512 -0.6512 1.9182 1.9182 3.4010 3.4010 4.2921 4.2921 4.5936 4.5936 5.6390 5.6390 6.2019 6.2019 7.4818 7.4818 7.9053 7.9053 9.2101 9.2101 9.9905 9.9905 10.4115 10.4115 12.3547 12.3547 15.0780 15.0780 17.2322 17.2322 18.2152 18.2152 20.0153 20.0153 k = 0.3778-0.0013-0.0791 ( 1478 PWs) bands (ev): -8.5952 -8.5952 -5.5087 -5.5087 -2.6729 -2.6729 -0.6375 -0.6375 1.9394 1.9394 3.4179 3.4179 4.2860 4.2860 4.5754 4.5754 5.7109 5.7109 6.2803 6.2803 7.4197 7.4197 7.8558 7.8558 9.1489 9.1489 9.8821 9.8821 10.4198 10.4198 12.3055 12.3055 15.1464 15.1464 17.3518 17.3518 18.2585 18.2585 20.0614 20.0614 k = 0.3889-0.0013-0.0814 ( 1478 PWs) bands (ev): -8.5587 -8.5587 -5.5713 -5.5713 -2.6806 -2.6806 -0.6247 -0.6247 1.9598 1.9598 3.4304 3.4304 4.2806 4.2806 4.5622 4.5622 5.7769 5.7769 6.3562 6.3562 7.3610 7.3610 7.8171 7.8171 9.0893 9.0893 9.7683 9.7683 10.4353 10.4353 12.2584 12.2584 15.2110 15.2110 17.4705 17.4705 18.2980 18.2980 20.0653 20.0653 k = 0.4000-0.0013-0.0837 ( 1478 PWs) bands (ev): -8.5239 -8.5239 -5.6301 -5.6301 -2.6872 -2.6872 -0.6128 -0.6128 1.9793 1.9793 3.4387 3.4387 4.2761 4.2761 4.5537 4.5537 5.8378 5.8378 6.4262 6.4262 7.3061 7.3061 7.7914 7.7914 9.0309 9.0309 9.6539 9.6539 10.4539 10.4539 12.2139 12.2139 15.2714 15.2714 17.5872 17.5872 18.3343 18.3343 20.0350 20.0350 k = 0.4111-0.0014-0.0860 ( 1477 PWs) bands (ev): -8.4911 -8.4911 -5.6846 -5.6846 -2.6929 -2.6929 -0.6021 -0.6021 1.9976 1.9976 3.4433 3.4433 4.2722 4.2722 4.5495 4.5495 5.8942 5.8942 6.4867 6.4867 7.2554 7.2554 7.7815 7.7815 8.9725 8.9725 9.5422 9.5422 10.4736 10.4736 12.1723 12.1723 15.3271 15.3271 17.7005 17.7005 18.3684 18.3684 19.9816 19.9816 k = 0.4222-0.0014-0.0884 ( 1475 PWs) bands (ev): -8.4608 -8.4608 -5.7344 -5.7344 -2.6978 -2.6978 -0.5924 -0.5924 2.0145 2.0145 3.4448 3.4448 4.2688 4.2688 4.5489 4.5489 5.9465 5.9465 6.5350 6.5350 7.2094 7.2094 7.7894 7.7894 8.9125 8.9125 9.4363 9.4363 10.4931 10.4931 12.1342 12.1342 15.3775 15.3775 17.8087 17.8087 18.4013 18.4013 19.9142 19.9142 k = 0.4333-0.0014-0.0907 ( 1475 PWs) bands (ev): -8.4333 -8.4333 -5.7787 -5.7787 -2.7019 -2.7019 -0.5839 -0.5839 2.0299 2.0299 3.4440 3.4440 4.2660 4.2660 4.5511 4.5511 5.9948 5.9948 6.5695 6.5695 7.1685 7.1685 7.8162 7.8162 8.8486 8.8486 9.3395 9.3395 10.5117 10.5117 12.0998 12.0998 15.4223 15.4223 17.9092 17.9092 18.4346 18.4346 19.8387 19.8387 k = 0.4444-0.0015-0.0930 ( 1476 PWs) bands (ev): -8.4092 -8.4092 -5.8173 -5.8173 -2.7053 -2.7053 -0.5766 -0.5766 2.0434 2.0434 3.4415 3.4415 4.2637 4.2637 4.5551 4.5551 6.0387 6.0387 6.5906 6.5906 7.1331 7.1331 7.8615 7.8615 8.7785 8.7785 9.2553 9.2553 10.5286 10.5286 12.0697 12.0697 15.4609 15.4609 17.9988 17.9988 18.4698 18.4698 19.7598 19.7598 k = 0.4556-0.0015-0.0953 ( 1472 PWs) bands (ev): -8.3888 -8.3888 -5.8496 -5.8496 -2.7080 -2.7080 -0.5706 -0.5706 2.0548 2.0548 3.4382 3.4382 4.2618 4.2618 4.5600 4.5600 6.0776 6.0776 6.6004 6.6004 7.1034 7.1034 7.9230 7.9230 8.7003 8.7003 9.1867 9.1867 10.5433 10.5433 12.0444 12.0444 15.4931 15.4931 18.0740 18.0740 18.5081 18.5081 19.6819 19.6819 k = 0.4667-0.0015-0.0977 ( 1472 PWs) bands (ev): -8.3725 -8.3725 -5.8753 -5.8753 -2.7101 -2.7101 -0.5658 -0.5658 2.0640 2.0640 3.4349 3.4349 4.2603 4.2603 4.5649 4.5649 6.1105 6.1105 6.6021 6.6021 7.0798 7.0798 7.9972 7.9972 8.6148 8.6148 9.1349 9.1349 10.5552 10.5552 12.0241 12.0241 15.5184 15.5184 18.1321 18.1321 18.5487 18.5487 19.6099 19.6099 k = 0.4778-0.0016-0.1000 ( 1475 PWs) bands (ev): -8.3606 -8.3606 -5.8939 -5.8939 -2.7115 -2.7115 -0.5624 -0.5624 2.0706 2.0706 3.4320 3.4320 4.2592 4.2592 4.5690 4.5690 6.1359 6.1359 6.5996 6.5996 7.0627 7.0627 8.0788 8.0788 8.5253 8.5253 9.0993 9.0993 10.5641 10.5641 12.0094 12.0094 15.5368 15.5368 18.1721 18.1721 18.5870 18.5870 19.5499 19.5499 k = 0.4889-0.0016-0.1023 ( 1478 PWs) bands (ev): -8.3533 -8.3533 -5.9051 -5.9051 -2.7124 -2.7124 -0.5604 -0.5604 2.0747 2.0747 3.4301 3.4301 4.2585 4.2585 4.5716 4.5716 6.1520 6.1520 6.5963 6.5963 7.0523 7.0523 8.1577 8.1577 8.4416 8.4416 9.0787 9.0787 10.5695 10.5695 12.0004 12.0004 15.5478 15.5478 18.1951 18.1951 18.6155 18.6155 19.5092 19.5092 k = 0.5000-0.0017-0.1047 ( 1478 PWs) bands (ev): -8.3509 -8.3509 -5.9089 -5.9089 -2.7127 -2.7127 -0.5597 -0.5597 2.0761 2.0761 3.4295 3.4295 4.2583 4.2583 4.5726 4.5726 6.1576 6.1576 6.5949 6.5949 7.0488 7.0488 8.1995 8.1995 8.3981 8.3981 9.0720 9.0720 10.5714 10.5714 11.9974 11.9974 15.5515 15.5515 18.2026 18.2026 18.6261 18.6261 19.4947 19.4947 k = 0.5000-0.0017 0.4169 ( 1474 PWs) bands (ev): -6.8102 -6.8102 -6.6090 -6.6090 -3.7033 -3.7033 -1.7564 -1.7564 2.0471 2.0471 2.9542 2.9542 4.7177 4.7177 4.8587 4.8587 5.3669 5.3669 5.9931 5.9931 6.8269 6.8269 8.4603 8.4603 8.5429 8.5429 11.4068 11.4068 11.6483 11.6483 11.9732 11.9732 15.1683 15.1683 19.4631 19.4631 19.6486 19.6486 21.0719 21.0719 k = 0.4912-0.0016 0.4095 ( 1474 PWs) bands (ev): -6.8335 -6.8335 -6.5865 -6.5865 -3.7009 -3.7009 -1.7556 -1.7556 2.0468 2.0468 2.9533 2.9533 4.7081 4.7081 4.8719 4.8719 5.3518 5.3518 6.0036 6.0036 6.8306 6.8306 8.4412 8.4412 8.5609 8.5609 11.3987 11.3987 11.6538 11.6538 11.9740 11.9740 15.1692 15.1692 19.4428 19.4428 19.6653 19.6653 21.0748 21.0748 k = 0.4825-0.0016 0.4022 ( 1480 PWs) bands (ev): -6.8863 -6.8863 -6.5362 -6.5362 -3.6935 -3.6935 -1.7533 -1.7533 2.0460 2.0460 2.9505 2.9505 4.6859 4.6859 4.9043 4.9043 5.3099 5.3099 6.0313 6.0313 6.8419 6.8419 8.4029 8.4029 8.5958 8.5958 11.3767 11.3767 11.6678 11.6678 11.9767 11.9767 15.1718 15.1718 19.3951 19.3951 19.7020 19.7020 21.0829 21.0829 k = 0.4737-0.0016 0.3949 ( 1481 PWs) bands (ev): -6.9504 -6.9504 -6.4762 -6.4762 -3.6812 -3.6812 -1.7494 -1.7494 2.0447 2.0447 2.9460 2.9460 4.6600 4.6600 4.9465 4.9465 5.2494 5.2494 6.0682 6.0682 6.8616 6.8616 8.3585 8.3585 8.6349 8.6349 11.3454 11.3454 11.6848 11.6848 11.9824 11.9824 15.1761 15.1761 19.3355 19.3355 19.7434 19.7434 21.0949 21.0949 k = 0.4649-0.0015 0.3876 ( 1482 PWs) bands (ev): -7.0192 -7.0192 -6.4131 -6.4131 -3.6641 -3.6641 -1.7439 -1.7439 2.0429 2.0429 2.9398 2.9398 4.6340 4.6340 4.9923 4.9923 5.1793 5.1793 6.1064 6.1064 6.8904 6.8904 8.3107 8.3107 8.6761 8.6761 11.3083 11.3083 11.6995 11.6995 11.9923 11.9923 15.1820 15.1820 19.2706 19.2706 19.7829 19.7829 21.1086 21.1086 k = 0.4561-0.0015 0.3803 ( 1481 PWs) bands (ev): -7.0903 -7.0903 -6.3491 -6.3491 -3.6423 -3.6423 -1.7369 -1.7369 2.0406 2.0406 2.9323 2.9323 4.6088 4.6088 5.0248 5.0248 5.1200 5.1200 6.1403 6.1403 6.9289 6.9289 8.2605 8.2605 8.7191 8.7191 11.2679 11.2679 11.7081 11.7081 12.0079 12.0079 15.1893 15.1893 19.2033 19.2033 19.8177 19.8177 21.1211 21.1211 k = 0.4474-0.0015 0.3730 ( 1478 PWs) bands (ev): -7.1627 -7.1627 -6.2853 -6.2853 -3.6160 -3.6160 -1.7284 -1.7284 2.0378 2.0378 2.9236 2.9236 4.5841 4.5841 4.9839 4.9839 5.1347 5.1347 6.1667 6.1667 6.9768 6.9768 8.2085 8.2085 8.7642 8.7642 11.2253 11.2253 11.7084 11.7084 12.0299 12.0299 15.1979 15.1979 19.1352 19.1352 19.8460 19.8460 21.1297 21.1297 k = 0.4386-0.0015 0.3657 ( 1477 PWs) bands (ev): -7.2358 -7.2358 -6.2220 -6.2220 -3.5852 -3.5852 -1.7184 -1.7184 2.0345 2.0345 2.9140 2.9140 4.5587 4.5587 4.9067 4.9067 5.1891 5.1891 6.1846 6.1846 7.0325 7.0325 8.1558 8.1558 8.8119 8.8119 11.1816 11.1816 11.6996 11.6996 12.0579 12.0579 15.2074 15.2074 19.0677 19.0677 19.8665 19.8665 21.1327 21.1327 k = 0.4298-0.0014 0.3584 ( 1476 PWs) bands (ev): -7.3093 -7.3093 -6.1595 -6.1595 -3.5503 -3.5503 -1.7069 -1.7069 2.0307 2.0307 2.9038 2.9038 4.5297 4.5297 4.8287 4.8287 5.2509 5.2509 6.1942 6.1942 7.0936 7.0936 8.1037 8.1037 8.8625 8.8625 11.1371 11.1371 11.6822 11.6822 12.0911 12.0911 15.2173 15.2173 19.0017 19.0017 19.8781 19.8781 21.1290 21.1290 k = 0.4211-0.0014 0.3510 ( 1476 PWs) bands (ev): -7.3831 -7.3831 -6.0978 -6.0978 -3.5114 -3.5114 -1.6940 -1.6940 2.0264 2.0264 2.8932 2.8932 4.4926 4.4926 4.7591 4.7591 5.3154 5.3154 6.1971 6.1971 7.1566 7.1566 8.0544 8.0544 8.9164 8.9164 11.0923 11.0923 11.6572 11.6572 12.1281 12.1281 15.2270 15.2270 18.9382 18.9382 19.8801 19.8801 21.1177 21.1177 k = 0.4123-0.0014 0.3437 ( 1478 PWs) bands (ev): -7.4568 -7.4568 -6.0371 -6.0371 -3.4688 -3.4688 -1.6797 -1.6797 2.0216 2.0216 2.8826 2.8826 4.4419 4.4419 4.7045 4.7045 5.3806 5.3806 6.1951 6.1951 7.2169 7.2169 8.0110 8.0110 8.9741 8.9741 11.0474 11.0474 11.6253 11.6253 12.1678 12.1678 15.2359 15.2359 18.8780 18.8780 19.8719 19.8719 21.0968 21.0968 k = 0.4035-0.0013 0.3364 ( 1478 PWs) bands (ev): -7.5303 -7.5303 -5.9773 -5.9773 -3.4227 -3.4227 -1.6640 -1.6640 2.0163 2.0163 2.8725 2.8725 4.3759 4.3759 4.6674 4.6674 5.4447 5.4447 6.1905 6.1905 7.2690 7.2690 7.9779 7.9779 9.0358 9.0358 11.0027 11.0027 11.5874 11.5874 12.2093 12.2093 15.2433 15.2433 18.8219 18.8219 19.8532 19.8532 21.0637 21.0637 k = 0.3947-0.0013 0.3291 ( 1478 PWs) bands (ev): -7.6034 -7.6034 -5.9183 -5.9183 -3.3735 -3.3735 -1.6469 -1.6469 2.0105 2.0105 2.8630 2.8630 4.2979 4.2979 4.6446 4.6446 5.5056 5.5056 6.1859 6.1859 7.3068 7.3068 7.9605 7.9605 9.1020 9.1020 10.9583 10.9583 11.5443 11.5443 12.2520 12.2520 15.2482 15.2482 18.7704 18.7704 19.8243 19.8243 21.0166 21.0166 k = 0.3860-0.0013 0.3218 ( 1482 PWs) bands (ev): -7.6761 -7.6761 -5.8601 -5.8601 -3.3213 -3.3213 -1.6286 -1.6286 2.0040 2.0040 2.8545 2.8545 4.2127 4.2127 4.6314 4.6314 5.5605 5.5605 6.1843 6.1843 7.3250 7.3250 7.9636 7.9636 9.1727 9.1727 10.9143 10.9143 11.4966 11.4966 12.2955 12.2955 15.2499 15.2499 18.7239 18.7239 19.7852 19.7852 20.9553 20.9553 k = 0.3772-0.0013 0.3145 ( 1482 PWs) bands (ev): -7.7483 -7.7483 -5.8027 -5.8027 -3.2667 -3.2667 -1.6091 -1.6091 1.9969 1.9969 2.8474 2.8474 4.1238 4.1238 4.6241 4.6241 5.6060 5.6060 6.1890 6.1890 7.3226 7.3226 7.9886 7.9886 9.2483 9.2483 10.8709 10.8709 11.4449 11.4449 12.3395 12.3395 15.2474 15.2474 18.6827 18.6827 19.7367 19.7367 20.8815 20.8815 k = 0.3684-0.0012 0.3072 ( 1482 PWs) bands (ev): -7.8197 -7.8197 -5.7460 -5.7460 -3.2097 -3.2097 -1.5885 -1.5885 1.9890 1.9890 2.8421 2.8421 4.0333 4.0333 4.6205 4.6205 5.6391 5.6391 6.2028 6.2028 7.3032 7.3032 8.0321 8.0321 9.3290 9.3290 10.8282 10.8282 11.3897 11.3897 12.3836 12.3836 15.2400 15.2400 18.6465 18.6465 19.6794 19.6794 20.7975 20.7975 k = 0.3596-0.0012 0.2998 ( 1484 PWs) bands (ev): -7.8904 -7.8904 -5.6898 -5.6898 -3.1509 -3.1509 -1.5667 -1.5667 1.9802 1.9802 2.8388 2.8388 3.9422 3.9422 4.6192 4.6192 5.6578 5.6578 6.2267 6.2267 7.2735 7.2735 8.0887 8.0887 9.4146 9.4146 10.7864 10.7864 11.3318 11.3318 12.4278 12.4278 15.2270 15.2270 18.6150 18.6150 19.6142 19.6142 20.7055 20.7055 k = 0.3509-0.0012 0.2925 ( 1483 PWs) bands (ev): -7.9602 -7.9602 -5.6341 -5.6341 -3.0905 -3.0905 -1.5440 -1.5440 1.9704 1.9704 2.8380 2.8380 3.8516 3.8516 4.6192 4.6192 5.6623 5.6623 6.2589 6.2589 7.2406 7.2406 8.1532 8.1532 9.5054 9.5054 10.7456 10.7456 11.2716 11.2716 12.4718 12.4718 15.2079 15.2079 18.5872 18.5872 19.5421 19.5421 20.6076 20.6076 k = 0.3421-0.0011 0.2852 ( 1485 PWs) bands (ev): -8.0290 -8.0290 -5.5788 -5.5788 -3.0288 -3.0288 -1.5202 -1.5202 1.9593 1.9593 2.8399 2.8399 3.7617 3.7617 4.6195 4.6195 5.6551 5.6551 6.2946 6.2946 7.2112 7.2112 8.2219 8.2219 9.6009 9.6009 10.7059 10.7059 11.2097 11.2097 12.5155 12.5155 15.1825 15.1825 18.5616 18.5616 19.4642 19.4642 20.5055 20.5055 k = 0.3333-0.0011 0.2779 ( 1490 PWs) bands (ev): -8.0968 -8.0968 -5.5239 -5.5239 -2.9662 -2.9662 -1.4956 -1.4956 1.9470 1.9470 2.8449 2.8449 3.6730 3.6730 4.6195 4.6195 5.6391 5.6391 6.3275 6.3275 7.1916 7.1916 8.2923 8.2923 9.7009 9.7009 10.6677 10.6677 11.1468 11.1468 12.5589 12.5589 15.1504 15.1504 18.5363 18.5363 19.3818 19.3818 20.4005 20.4005 k = 0.3246-0.0011 0.2706 ( 1488 PWs) bands (ev): -8.1635 -8.1635 -5.4691 -5.4691 -2.9030 -2.9030 -1.4703 -1.4703 1.9332 1.9332 2.8533 2.8533 3.5857 3.5857 4.6184 4.6184 5.6177 5.6177 6.3508 6.3508 7.1878 7.1878 8.3628 8.3628 9.8048 9.8048 10.6313 10.6313 11.0834 11.0834 12.6018 12.6018 15.1120 15.1120 18.5085 18.5085 19.2963 19.2963 20.2941 20.2941 k = 0.3158-0.0010 0.2633 ( 1487 PWs) bands (ev): -8.2290 -8.2290 -5.4145 -5.4145 -2.8394 -2.8394 -1.4442 -1.4442 1.9178 1.9178 2.8654 2.8654 3.5000 3.5000 4.6155 4.6155 5.5932 5.5932 6.3591 6.3591 7.2044 7.2044 8.4325 8.4325 9.9116 9.9116 10.5973 10.5973 11.0202 11.0202 12.6443 12.6443 15.0672 15.0672 18.4751 18.4751 19.2096 19.2096 20.1872 20.1872 k = 0.3070-0.0010 0.2560 ( 1489 PWs) bands (ev): -8.2933 -8.2933 -5.3601 -5.3601 -2.7758 -2.7758 -1.4175 -1.4175 1.9005 1.9005 2.8813 2.8813 3.4160 3.4160 4.6100 4.6100 5.5679 5.5679 6.3502 6.3502 7.2429 7.2429 8.5007 8.5007 10.0196 10.0196 10.5670 10.5670 10.9578 10.9578 12.6862 12.6862 15.0165 15.0165 18.4324 18.4324 19.1235 19.1235 20.0805 20.0805 k = 0.2982-0.0010 0.2487 ( 1490 PWs) bands (ev): -8.3562 -8.3562 -5.3056 -5.3056 -2.7125 -2.7125 -1.3904 -1.3904 1.8814 1.8814 2.9014 2.9014 3.3339 3.3339 4.6014 4.6014 5.5433 5.5433 6.3254 6.3254 7.3018 7.3018 8.5673 8.5673 10.1252 10.1252 10.5428 10.5428 10.8973 10.8973 12.7274 12.7274 14.9603 14.9603 18.3770 18.3770 19.0397 19.0397 19.9742 19.9742 k = 0.2895-0.0010 0.2413 ( 1488 PWs) bands (ev): -8.4178 -8.4178 -5.2511 -5.2511 -2.6497 -2.6497 -1.3628 -1.3628 1.8603 1.8603 2.9255 2.9255 3.2539 3.2539 4.5891 4.5891 5.5209 5.5209 6.2877 6.2877 7.3775 7.3775 8.6319 8.6319 10.2207 10.2207 10.5310 10.5310 10.8406 10.8406 12.7681 12.7681 14.8992 14.8992 18.3061 18.3061 18.9589 18.9589 19.8681 19.8681 k = 0.2807-0.0009 0.2340 ( 1488 PWs) bands (ev): -8.4780 -8.4780 -5.1965 -5.1965 -2.5877 -2.5877 -1.3350 -1.3350 1.8373 1.8373 2.9540 2.9540 3.1759 3.1759 4.5726 4.5726 5.5015 5.5015 6.2407 6.2407 7.4664 7.4664 8.6946 8.6946 10.2895 10.2895 10.5436 10.5436 10.7921 10.7921 12.8079 12.8079 14.8336 14.8336 18.2188 18.2188 18.8807 18.8807 19.7607 19.7607 k = 0.2719-0.0009 0.2267 ( 1486 PWs) bands (ev): -8.5367 -8.5367 -5.1419 -5.1419 -2.5267 -2.5267 -1.3070 -1.3070 1.8122 1.8122 2.9866 2.9866 3.1002 3.1002 4.5516 4.5516 5.4858 5.4858 6.1875 6.1875 7.5650 7.5650 8.7553 8.7553 10.3169 10.3169 10.5786 10.5786 10.7683 10.7683 12.8471 12.8471 14.7643 14.7643 18.1157 18.1157 18.8037 18.8037 19.6503 19.6503 k = 0.2632-0.0009 0.2194 ( 1486 PWs) bands (ev): -8.5939 -8.5939 -5.0871 -5.0871 -2.4668 -2.4668 -1.2789 -1.2789 1.7851 1.7851 3.0218 3.0218 3.0283 3.0283 4.5262 4.5262 5.4742 5.4742 6.1306 6.1306 7.6710 7.6710 8.8142 8.8142 10.3144 10.3144 10.5864 10.5864 10.8077 10.8077 12.8854 12.8854 14.6917 14.6917 17.9988 17.9988 18.7256 18.7256 19.5345 19.5345 k = 0.2544-0.0008 0.2121 ( 1486 PWs) bands (ev): -8.6496 -8.6496 -5.0322 -5.0322 -2.4084 -2.4084 -1.2510 -1.2510 1.7562 1.7562 2.9555 2.9555 3.0643 3.0643 4.4965 4.4965 5.4665 5.4665 6.0717 6.0717 7.7823 7.7823 8.8713 8.8713 10.2990 10.2990 10.5558 10.5558 10.9041 10.9041 12.9229 12.9229 14.6164 14.6164 17.8704 17.8704 18.6449 18.6449 19.4114 19.4114 k = 0.2456-0.0008 0.2048 ( 1484 PWs) bands (ev): -8.7037 -8.7037 -4.9772 -4.9772 -2.3516 -2.3516 -1.2233 -1.2233 1.7256 1.7256 2.8870 2.8870 3.1086 3.1086 4.4629 4.4629 5.4625 5.4625 6.0123 6.0123 7.8974 7.8974 8.9267 8.9267 10.2791 10.2791 10.5132 10.5132 11.0229 11.0229 12.9594 12.9594 14.5390 14.5390 17.7331 17.7331 18.5608 18.5608 19.2798 19.2798 k = 0.2368-0.0008 0.1975 ( 1484 PWs) bands (ev): -8.7561 -8.7561 -4.9221 -4.9221 -2.2964 -2.2964 -1.1960 -1.1960 1.6934 1.6934 2.8211 2.8211 3.1563 3.1563 4.4260 4.4260 5.4616 5.4616 5.9536 5.9536 8.0153 8.0153 8.9805 8.9805 10.2578 10.2578 10.4689 10.4689 11.1505 11.1505 12.9950 12.9950 14.4601 14.4601 17.5889 17.5889 18.4731 18.4731 19.1396 19.1396 k = 0.2281-0.0008 0.1901 ( 1483 PWs) bands (ev): -8.8069 -8.8069 -4.8669 -4.8669 -2.2431 -2.2431 -1.1692 -1.1692 1.6598 1.6598 2.7579 2.7579 3.2067 3.2067 4.3866 4.3866 5.4629 5.4629 5.8969 5.8969 8.1346 8.1346 9.0328 9.0328 10.2369 10.2369 10.4257 10.4257 11.2823 11.2823 13.0295 13.0295 14.3803 14.3803 17.4395 17.4395 18.3822 18.3822 18.9915 18.9915 k = 0.2193-0.0007 0.1828 ( 1482 PWs) bands (ev): -8.8560 -8.8560 -4.8117 -4.8117 -2.1917 -2.1917 -1.1432 -1.1432 1.6252 1.6252 2.6976 2.6976 3.2592 3.2592 4.3454 4.3454 5.4652 5.4652 5.8434 5.8434 8.2545 8.2545 9.0840 9.0840 10.2170 10.2170 10.3852 10.3852 11.4161 11.4161 13.0628 13.0628 14.3001 14.3001 17.2866 17.2866 18.2887 18.2887 18.8364 18.8364 k = 0.2105-0.0007 0.1755 ( 1480 PWs) bands (ev): -8.9034 -8.9034 -4.7565 -4.7565 -2.1424 -2.1424 -1.1181 -1.1181 1.5897 1.5897 2.6402 2.6402 3.3128 3.3128 4.3037 4.3037 5.4671 5.4671 5.7948 5.7948 8.3738 8.3738 9.1343 9.1343 10.1989 10.1989 10.3479 10.3479 11.5506 11.5506 13.0947 13.0947 14.2202 14.2202 17.1315 17.1315 18.1935 18.1935 18.6757 18.6757 k = 0.2018-0.0007 0.1682 ( 1478 PWs) bands (ev): -8.9490 -8.9490 -4.7015 -4.7015 -2.0950 -2.0950 -1.0942 -1.0942 1.5537 1.5537 2.5859 2.5859 3.3661 3.3661 4.2625 4.2625 5.4665 5.4665 5.7529 5.7529 8.4913 8.4913 9.1839 9.1839 10.1828 10.1828 10.3146 10.3146 11.6848 11.6848 13.1251 13.1251 14.1414 14.1414 16.9754 16.9754 18.0971 18.0971 18.5104 18.5104 k = 0.1930-0.0006 0.1609 ( 1476 PWs) bands (ev): -8.9929 -8.9929 -4.6466 -4.6466 -2.0498 -2.0498 -1.0716 -1.0716 1.5175 1.5175 2.5349 2.5349 3.4174 3.4174 4.2237 4.2237 5.4609 5.4609 5.7203 5.7203 8.6054 8.6054 9.2332 9.2332 10.1692 10.1692 10.2858 10.2858 11.8177 11.8177 13.1537 13.1537 14.0646 14.0646 16.8194 16.8194 18.0003 18.0003 18.3418 18.3418 k = 0.1842-0.0006 0.1536 ( 1474 PWs) bands (ev): -9.0349 -9.0349 -4.5919 -4.5919 -2.0067 -2.0067 -1.0506 -1.0506 1.4814 1.4814 2.4873 2.4873 3.4642 3.4642 4.1895 4.1895 5.4483 5.4483 5.6988 5.6988 8.7147 8.7147 9.2827 9.2827 10.1581 10.1581 10.2626 10.2626 11.9483 11.9483 13.1800 13.1800 13.9909 13.9909 16.6644 16.6644 17.9036 17.9036 18.1709 18.1709 k = 0.1754-0.0006 0.1463 ( 1472 PWs) bands (ev): -9.0752 -9.0752 -4.5377 -4.5377 -1.9656 -1.9656 -1.0315 -1.0315 1.4458 1.4458 2.4432 2.4432 3.5031 3.5031 4.1630 4.1630 5.4285 5.4285 5.6887 5.6887 8.8172 8.8172 9.3327 9.3327 10.1494 10.1494 10.2465 10.2465 12.0751 12.0751 13.2037 13.2037 13.9218 13.9218 16.5114 16.5114 17.8068 17.8068 17.9991 17.9991 k = 0.1667-0.0006 0.1390 ( 1470 PWs) bands (ev): -9.1136 -9.1136 -4.4840 -4.4840 -1.9266 -1.9266 -1.0144 -1.0144 1.4111 1.4111 2.4028 2.4028 3.5302 3.5302 4.1477 4.1477 5.4034 5.4034 5.6881 5.6881 8.9109 8.9109 9.3832 9.3832 10.1420 10.1420 10.2401 10.2401 12.1967 12.1967 13.2243 13.2243 13.8593 13.8593 16.3613 16.3613 17.7083 17.7083 17.8292 17.8292 k = 0.1579-0.0005 0.1316 ( 1467 PWs) bands (ev): -9.1501 -9.1501 -4.4309 -4.4309 -1.8896 -1.8896 -0.9997 -0.9997 1.3775 1.3775 2.3664 2.3664 3.5418 3.5418 4.1469 4.1469 5.3758 5.3758 5.6942 5.6942 8.9943 8.9943 9.4338 9.4338 10.1348 10.1348 10.2463 10.2463 12.3106 12.3106 13.2416 13.2416 13.8055 13.8055 16.2148 16.2148 17.5972 17.5972 17.6734 17.6734 k = 0.1491-0.0005 0.1243 ( 1466 PWs) bands (ev): -9.1847 -9.1847 -4.3787 -4.3787 -1.8544 -1.8544 -0.9875 -0.9875 1.3455 1.3455 2.3341 2.3341 3.5360 3.5360 4.1618 4.1618 5.3480 5.3480 5.7046 5.7046 9.0665 9.0665 9.4827 9.4827 10.1276 10.1276 10.2675 10.2675 12.4135 12.4135 13.2566 13.2566 13.7629 13.7629 16.0727 16.0727 17.4486 17.4486 17.5575 17.5575 k = 0.1404-0.0005 0.1170 ( 1469 PWs) bands (ev): -9.2175 -9.2175 -4.3275 -4.3275 -1.8212 -1.8212 -0.9780 -0.9780 1.3152 1.3152 2.3060 2.3060 3.5140 3.5140 4.1908 4.1908 5.3218 5.3218 5.7176 5.7176 9.1278 9.1278 9.5277 9.5277 10.1208 10.1208 10.3048 10.3048 12.5004 12.5004 13.2718 13.2718 13.7334 13.7334 15.9358 15.9358 17.2800 17.2800 17.4648 17.4648 k = 0.1316-0.0004 0.1097 ( 1467 PWs) bands (ev): -9.2483 -9.2483 -4.2775 -4.2775 -1.7896 -1.7896 -0.9714 -0.9714 1.2869 1.2869 2.2825 2.2825 3.4787 3.4787 4.2303 4.2303 5.2983 5.2983 5.7320 5.7320 9.1792 9.1792 9.5666 9.5666 10.1151 10.1151 10.3583 10.3583 12.5655 12.5655 13.2926 13.2926 13.7176 13.7176 15.8046 15.8046 17.1081 17.1081 17.3799 17.3799 k = 0.1228-0.0004 0.1024 ( 1465 PWs) bands (ev): -9.2772 -9.2772 -4.2289 -4.2289 -1.7598 -1.7598 -0.9678 -0.9678 1.2608 1.2608 2.2635 2.2635 3.4336 3.4336 4.2764 4.2764 5.2785 5.2785 5.7471 5.7471 9.2224 9.2224 9.5978 9.5978 10.1109 10.1109 10.4269 10.4269 12.6031 12.6031 13.3253 13.3253 13.7146 13.7146 15.6797 15.6797 16.9364 16.9364 17.2998 17.2998 k = 0.1140-0.0004 0.0951 ( 1463 PWs) bands (ev): -9.3042 -9.3042 -4.1819 -4.1819 -1.7315 -1.7315 -0.9671 -0.9671 1.2371 1.2371 2.2494 2.2494 3.3813 3.3813 4.3256 4.3256 5.2628 5.2628 5.7624 5.7624 9.2591 9.2591 9.6211 9.6211 10.1083 10.1083 10.5084 10.5084 12.6112 12.6112 13.3738 13.3738 13.7223 13.7223 15.5617 15.5617 16.7664 16.7664 17.2242 17.2242 k = 0.1053-0.0003 0.0878 ( 1464 PWs) bands (ev): -9.3292 -9.3292 -4.1369 -4.1369 -1.7047 -1.7047 -0.9693 -0.9693 1.2157 1.2157 2.2403 2.2403 3.3242 3.3242 4.3749 4.3749 5.2516 5.2516 5.7773 5.7773 9.2905 9.2905 9.6372 9.6372 10.1073 10.1073 10.6000 10.6000 12.5929 12.5929 13.4368 13.4368 13.7387 13.7387 15.4510 15.4510 16.5989 16.5989 17.1531 17.1531 k = 0.0965-0.0003 0.0804 ( 1464 PWs) bands (ev): -9.3523 -9.3523 -4.0940 -4.0940 -1.6793 -1.6793 -0.9742 -0.9742 1.1966 1.1966 2.2362 2.2362 3.2638 3.2638 4.4223 4.4223 5.2453 5.2453 5.7918 5.7918 9.3180 9.3180 9.6475 9.6475 10.1078 10.1078 10.6988 10.6988 12.5544 12.5544 13.5101 13.5101 13.7618 13.7618 15.3480 15.3480 16.4347 16.4347 17.0867 17.0867 k = 0.0877-0.0003 0.0731 ( 1463 PWs) bands (ev): -9.3733 -9.3733 -4.0535 -4.0535 -1.6553 -1.6553 -0.9816 -0.9816 1.1798 1.1798 2.2372 2.2372 3.2013 3.2013 4.4662 4.4662 5.2438 5.2438 5.8054 5.8054 9.3425 9.3425 9.6531 9.6531 10.1094 10.1094 10.8021 10.8021 12.5020 12.5020 13.5885 13.5885 13.7901 13.7901 15.2530 15.2530 16.2748 16.2748 17.0252 17.0252 k = 0.0789-0.0003 0.0658 ( 1465 PWs) bands (ev): -9.3924 -9.3924 -4.0157 -4.0157 -1.6326 -1.6326 -0.9911 -0.9911 1.1653 1.1653 2.2433 2.2433 3.1376 3.1376 4.5055 4.5055 5.2469 5.2469 5.8181 5.8181 9.3647 9.3647 9.6550 9.6550 10.1119 10.1119 10.9075 10.9075 12.4406 12.4406 13.6680 13.6680 13.8225 13.8225 15.1663 15.1663 16.1200 16.1200 16.9688 16.9688 k = 0.0702-0.0002 0.0585 ( 1467 PWs) bands (ev): -9.4096 -9.4096 -3.9809 -3.9809 -1.6114 -1.6114 -1.0023 -1.0023 1.1528 1.1528 2.2544 2.2544 3.0736 3.0736 4.5395 4.5395 5.2541 5.2541 5.8297 5.8297 9.3850 9.3850 9.6542 9.6542 10.1150 10.1150 11.0133 11.0133 12.3737 12.3737 13.7455 13.7455 13.8582 13.8582 15.0880 15.0880 15.9714 15.9714 16.9177 16.9177 k = 0.0614-0.0002 0.0512 ( 1466 PWs) bands (ev): -9.4247 -9.4247 -3.9493 -3.9493 -1.5916 -1.5916 -1.0146 -1.0146 1.1422 1.1422 2.2704 2.2704 3.0101 3.0101 4.5681 4.5681 5.2646 5.2646 5.8400 5.8400 9.4038 9.4038 9.6513 9.6513 10.1184 10.1184 11.1177 11.1177 12.3036 12.3036 13.8183 13.8183 13.8968 13.8968 15.0185 15.0185 15.8305 15.8305 16.8722 16.8722 k = 0.0526-0.0002 0.0439 ( 1464 PWs) bands (ev): -9.4378 -9.4378 -3.9213 -3.9213 -1.5735 -1.5735 -1.0274 -1.0274 1.1333 1.1333 2.2908 2.2908 2.9477 2.9477 4.5914 4.5914 5.2772 5.2772 5.8491 5.8491 9.4212 9.4212 9.6468 9.6468 10.1219 10.1219 11.2197 11.2197 12.2318 12.2318 13.8842 13.8842 13.9378 13.9378 14.9578 14.9578 15.6987 15.6987 16.8323 16.8323 k = 0.0439-0.0001 0.0366 ( 1460 PWs) bands (ev): -9.4489 -9.4489 -3.8971 -3.8971 -1.5572 -1.5572 -1.0402 -1.0402 1.1261 1.1261 2.3151 2.3151 2.8875 2.8875 4.6098 4.6098 5.2908 5.2908 5.8568 5.8568 9.4372 9.4372 9.6413 9.6413 10.1253 10.1253 11.3181 11.3181 12.1596 12.1596 13.9402 13.9402 13.9816 13.9816 14.9060 14.9060 15.5782 15.5782 16.7983 16.7983 k = 0.0351-0.0001 0.0293 ( 1461 PWs) bands (ev): -9.4580 -9.4580 -3.8769 -3.8769 -1.5430 -1.5430 -1.0520 -1.0520 1.1204 1.1204 2.3425 2.3425 2.8305 2.8305 4.6237 4.6237 5.3040 5.3040 5.8631 5.8631 9.4517 9.4517 9.6352 9.6352 10.1283 10.1283 11.4119 11.4119 12.0876 12.0876 13.9844 13.9844 14.0272 14.0272 14.8633 14.8633 15.4717 15.4717 16.7703 16.7703 k = 0.0263-0.0001 0.0219 ( 1457 PWs) bands (ev): -9.4650 -9.4650 -3.8610 -3.8610 -1.5314 -1.5314 -1.0623 -1.0623 1.1161 1.1161 2.3712 2.3712 2.7786 2.7786 4.6340 4.6340 5.3156 5.3156 5.8680 5.8680 9.4640 9.4640 9.6292 9.6292 10.1308 10.1308 11.5003 11.5003 12.0167 12.0167 14.0185 14.0185 14.0697 14.0697 14.8298 14.8298 15.3822 15.3822 16.7484 16.7484 k = 0.0175-0.0001 0.0146 ( 1456 PWs) bands (ev): -9.4701 -9.4701 -3.8495 -3.8495 -1.5227 -1.5227 -1.0703 -1.0703 1.1131 1.1131 2.3987 2.3987 2.7344 2.7344 4.6409 4.6409 5.3247 5.3247 5.8715 5.8715 9.4738 9.4738 9.6240 9.6240 10.1327 10.1327 11.5814 11.5814 11.9483 11.9483 14.0433 14.0433 14.1042 14.1042 14.8057 14.8057 15.3139 15.3139 16.7327 16.7327 k = 0.0088-0.0000 0.0073 ( 1459 PWs) bands (ev): -9.4731 -9.4731 -3.8426 -3.8426 -1.5174 -1.5174 -1.0753 -1.0753 1.1112 1.1112 2.4199 2.4199 2.7032 2.7032 4.6448 4.6448 5.3305 5.3305 5.8736 5.8736 9.4801 9.4801 9.6204 9.6204 10.1339 10.1339 11.6493 11.6493 11.8881 11.8881 14.0586 14.0586 14.1267 14.1267 14.7911 14.7911 15.2706 15.2706 16.7233 16.7233 k = 0.0000 0.0000 0.0000 ( 1461 PWs) bands (ev): -9.4741 -9.4741 -3.8402 -3.8402 -1.5155 -1.5155 -1.0771 -1.0771 1.1106 1.1106 2.4283 2.4283 2.6915 2.6915 4.6461 4.6461 5.3325 5.3325 5.8743 5.8743 9.4823 9.4823 9.6191 9.6191 10.1342 10.1342 11.6813 11.6813 11.8586 11.8586 14.0637 14.0637 14.1345 14.1345 14.7861 14.7861 15.2557 15.2557 16.7201 16.7201 Writing output data file BC2N.save init_run : 2.29s CPU 11.48s WALL ( 1 calls) electrons : 325.88s CPU 331.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.27s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 325.86s CPU 331.06s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.84s WALL ( 1 calls) v_h : 0.04s CPU 0.08s WALL ( 1 calls) v_xc : 0.13s CPU 0.44s WALL ( 1 calls) newd : 0.20s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 441 calls) cegterg : 297.84s CPU 300.29s WALL ( 903 calls) Called by sum_band: Called by *egterg: h_psi : 121.11s CPU 128.31s WALL ( 15518 calls) s_psi : 8.71s CPU 9.59s WALL ( 15518 calls) g_psi : 0.15s CPU 0.30s WALL ( 14174 calls) cdiaghg : 133.01s CPU 129.94s WALL ( 14615 calls) cegterg:over : 24.49s CPU 21.74s WALL ( 14174 calls) cegterg:upda : 1.55s CPU 3.68s WALL ( 14174 calls) cegterg:last : 2.13s CPU 2.87s WALL ( 2226 calls) Called by h_psi: h_psi:vloc : 92.19s CPU 99.15s WALL ( 15518 calls) h_psi:vnl : 28.86s CPU 28.91s WALL ( 15518 calls) add_vuspsi : 4.73s CPU 7.75s WALL ( 15518 calls) General routines calbec : 24.10s CPU 21.05s WALL ( 15518 calls) fft : 0.19s CPU 1.30s WALL ( 19 calls) ffts : 0.00s CPU 0.10s WALL ( 4 calls) fftw : 88.69s CPU 94.90s WALL ( 1061972 calls) interpolate : 0.01s CPU 0.12s WALL ( 4 calls) davcio : 0.03s CPU 0.94s WALL ( 882 calls) Parallel routines fft_scatter : 60.53s CPU 67.71s WALL ( 1061995 calls) PWSCF : 6m 5.15s CPU 7m30.61s WALL This run was terminated on: 13:46:23 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=