Program PWSCF v.5.1.1 starts on 6Nov2015 at 5:24:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./Li4CO4.save/ 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 50 50 14 1576 1576 237 Max 51 51 15 1580 1580 240 Sum 2413 2413 689 75715 75715 11439 bravais-lattice index = 14 lattice parameter (alat) = 8.6113 a.u. unit-cell volume = 538.1488 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.611322 celldm(2)= 1.000000 celldm(3)= 0.846614 celldm(4)= 0.064350 celldm(5)= 0.064350 celldm(6)= 0.033640 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.033640 0.999434 0.000000 ) a(3) = ( 0.054479 0.052676 0.843216 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.033659 -0.062506 ) b(2) = ( 0.000000 1.000566 -0.062506 ) b(3) = ( 0.000000 0.000000 1.185936 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0102041 0.0098664 -0.0012756), wk = 0.0029851 k( 3) = ( 0.0204082 0.0197328 -0.0025513), wk = 0.0029851 k( 4) = ( 0.0306122 0.0295992 -0.0038269), wk = 0.0029851 k( 5) = ( 0.0408163 0.0394656 -0.0051025), wk = 0.0029851 k( 6) = ( 0.0510204 0.0493320 -0.0063782), wk = 0.0029851 k( 7) = ( 0.0612245 0.0591984 -0.0076538), wk = 0.0029851 k( 8) = ( 0.0714286 0.0690648 -0.0089295), wk = 0.0029851 k( 9) = ( 0.0816327 0.0789312 -0.0102051), wk = 0.0029851 k( 10) = ( 0.0918367 0.0887976 -0.0114807), wk = 0.0029851 k( 11) = ( 0.1020408 0.0986640 -0.0127564), wk = 0.0029851 k( 12) = ( 0.1122449 0.1085304 -0.0140320), wk = 0.0029851 k( 13) = ( 0.1224490 0.1183968 -0.0153076), wk = 0.0029851 k( 14) = ( 0.1326531 0.1282632 -0.0165833), wk = 0.0029851 k( 15) = ( 0.1428571 0.1381296 -0.0178589), wk = 0.0029851 k( 16) = ( 0.1530612 0.1479961 -0.0191346), wk = 0.0029851 k( 17) = ( 0.1632653 0.1578625 -0.0204102), wk = 0.0029851 k( 18) = ( 0.1734694 0.1677289 -0.0216858), wk = 0.0029851 k( 19) = ( 0.1836735 0.1775953 -0.0229615), wk = 0.0029851 k( 20) = ( 0.1938776 0.1874617 -0.0242371), wk = 0.0029851 k( 21) = ( 0.2040816 0.1973281 -0.0255127), wk = 0.0029851 k( 22) = ( 0.2142857 0.2071945 -0.0267884), wk = 0.0029851 k( 23) = ( 0.2244898 0.2170609 -0.0280640), wk = 0.0029851 k( 24) = ( 0.2346939 0.2269273 -0.0293396), wk = 0.0029851 k( 25) = ( 0.2448980 0.2367937 -0.0306153), wk = 0.0029851 k( 26) = ( 0.2551020 0.2466601 -0.0318909), wk = 0.0029851 k( 27) = ( 0.2653061 0.2565265 -0.0331666), wk = 0.0029851 k( 28) = ( 0.2755102 0.2663929 -0.0344422), wk = 0.0029851 k( 29) = ( 0.2857143 0.2762593 -0.0357178), wk = 0.0029851 k( 30) = ( 0.2959184 0.2861257 -0.0369935), wk = 0.0029851 k( 31) = ( 0.3061224 0.2959921 -0.0382691), wk = 0.0029851 k( 32) = ( 0.3163265 0.3058585 -0.0395447), wk = 0.0029851 k( 33) = ( 0.3265306 0.3157249 -0.0408204), wk = 0.0029851 k( 34) = ( 0.3367347 0.3255913 -0.0420960), wk = 0.0029851 k( 35) = ( 0.3469388 0.3354577 -0.0433717), wk = 0.0029851 k( 36) = ( 0.3571429 0.3453241 -0.0446473), wk = 0.0029851 k( 37) = ( 0.3673469 0.3551905 -0.0459229), wk = 0.0029851 k( 38) = ( 0.3775510 0.3650569 -0.0471986), wk = 0.0029851 k( 39) = ( 0.3877551 0.3749233 -0.0484742), wk = 0.0029851 k( 40) = ( 0.3979592 0.3847897 -0.0497498), wk = 0.0029851 k( 41) = ( 0.4081633 0.3946562 -0.0510255), wk = 0.0029851 k( 42) = ( 0.4183674 0.4045226 -0.0523011), wk = 0.0029851 k( 43) = ( 0.4285714 0.4143890 -0.0535768), wk = 0.0029851 k( 44) = ( 0.4387755 0.4242554 -0.0548524), wk = 0.0029851 k( 45) = ( 0.4489796 0.4341218 -0.0561280), wk = 0.0029851 k( 46) = ( 0.4591837 0.4439882 -0.0574037), wk = 0.0029851 k( 47) = ( 0.4693878 0.4538546 -0.0586793), wk = 0.0029851 k( 48) = ( 0.4795918 0.4637210 -0.0599549), wk = 0.0029851 k( 49) = ( 0.4897959 0.4735874 -0.0612306), wk = 0.0029851 k( 50) = ( 0.5000000 0.4834538 -0.0625062), wk = 0.0029851 k( 51) = ( 0.5000000 0.4834538 -0.0625062), wk = 0.0029851 k( 52) = ( 0.5009263 0.4843494 -0.0481694), wk = 0.0029851 k( 53) = ( 0.5018526 0.4852450 -0.0338326), wk = 0.0029851 k( 54) = ( 0.5027789 0.4861407 -0.0194958), wk = 0.0029851 k( 55) = ( 0.5037051 0.4870363 -0.0051590), wk = 0.0029851 k( 56) = ( 0.5046314 0.4879319 0.0091778), wk = 0.0029851 k( 57) = ( 0.5055577 0.4888276 0.0235146), wk = 0.0029851 k( 58) = ( 0.5064840 0.4897232 0.0378514), wk = 0.0029851 k( 59) = ( 0.5074103 0.4906188 0.0521882), wk = 0.0029851 k( 60) = ( 0.5083366 0.4915145 0.0665250), wk = 0.0029851 k( 61) = ( 0.5092629 0.4924101 0.0808618), wk = 0.0029851 k( 62) = ( 0.5101891 0.4933057 0.0951986), wk = 0.0029851 k( 63) = ( 0.5111154 0.4942014 0.1095354), wk = 0.0029851 k( 64) = ( 0.5120417 0.4950970 0.1238722), wk = 0.0029851 k( 65) = ( 0.5129680 0.4959926 0.1382091), wk = 0.0029851 k( 66) = ( 0.5138943 0.4968883 0.1525459), wk = 0.0029851 k( 67) = ( 0.5148206 0.4977839 0.1668827), wk = 0.0029851 k( 68) = ( 0.5157468 0.4986795 0.1812195), wk = 0.0029851 k( 69) = ( 0.5166731 0.4995752 0.1955563), wk = 0.0029851 k( 70) = ( 0.5175994 0.5004708 0.2098931), wk = 0.0029851 k( 71) = ( 0.5185257 0.5013664 0.2242299), wk = 0.0029851 k( 72) = ( 0.5194520 0.5022621 0.2385667), wk = 0.0029851 k( 73) = ( 0.5203783 0.5031577 0.2529035), wk = 0.0029851 k( 74) = ( 0.5213046 0.5040533 0.2672403), wk = 0.0029851 k( 75) = ( 0.5222308 0.5049489 0.2815771), wk = 0.0029851 k( 76) = ( 0.5231571 0.5058446 0.2959139), wk = 0.0029851 k( 77) = ( 0.5240834 0.5067402 0.3102507), wk = 0.0029851 k( 78) = ( 0.5250097 0.5076358 0.3245875), wk = 0.0029851 k( 79) = ( 0.5259360 0.5085315 0.3389243), wk = 0.0029851 k( 80) = ( 0.5268623 0.5094271 0.3532611), wk = 0.0029851 k( 81) = ( 0.5277886 0.5103227 0.3675979), wk = 0.0029851 k( 82) = ( 0.5287148 0.5112184 0.3819347), wk = 0.0029851 k( 83) = ( 0.5296411 0.5121140 0.3962715), wk = 0.0029851 k( 84) = ( 0.5305674 0.5130096 0.4106083), wk = 0.0029851 k( 85) = ( 0.5314937 0.5139053 0.4249451), wk = 0.0029851 k( 86) = ( 0.5324200 0.5148009 0.4392819), wk = 0.0029851 k( 87) = ( 0.5333463 0.5156965 0.4536187), wk = 0.0029851 k( 88) = ( 0.5342725 0.5165922 0.4679556), wk = 0.0029851 k( 89) = ( 0.5342725 0.5165922 0.4679556), wk = 0.0029851 k( 90) = ( 0.5285605 0.5110691 0.4783732), wk = 0.0029851 k( 91) = ( 0.5228484 0.5055460 0.4887910), wk = 0.0029851 k( 92) = ( 0.5171363 0.5000230 0.4992087), wk = 0.0029851 k( 93) = ( 0.5114242 0.4944999 0.5096264), wk = 0.0029851 k( 94) = ( 0.5057121 0.4889768 0.5200441), wk = 0.0029851 k( 95) = ( 0.5000000 0.4834538 0.5304618), wk = 0.0029851 k( 96) = ( 0.5000000 0.4834538 0.5304618), wk = 0.0029851 k( 97) = ( 0.5100404 0.4730697 0.5304618), wk = 0.0029851 k( 98) = ( 0.5200808 0.4626857 0.5304618), wk = 0.0029851 k( 99) = ( 0.5301212 0.4523017 0.5304618), wk = 0.0029851 k( 100) = ( 0.5401616 0.4419176 0.5304618), wk = 0.0029851 k( 101) = ( 0.5502020 0.4315336 0.5304618), wk = 0.0029851 k( 102) = ( 0.4497980 -0.4651923 0.5929680), wk = 0.0029851 k( 103) = ( 0.4398025 -0.4548547 0.5929680), wk = 0.0029851 k( 104) = ( 0.4298070 -0.4445171 0.5929680), wk = 0.0029851 k( 105) = ( 0.4198115 -0.4341795 0.5929680), wk = 0.0029851 k( 106) = ( 0.4098160 -0.4238419 0.5929680), wk = 0.0029851 k( 107) = ( 0.3998204 -0.4135043 0.5929680), wk = 0.0029851 k( 108) = ( 0.3898249 -0.4031667 0.5929680), wk = 0.0029851 k( 109) = ( 0.3798294 -0.3928291 0.5929680), wk = 0.0029851 k( 110) = ( 0.3698339 -0.3824915 0.5929680), wk = 0.0029851 k( 111) = ( 0.3598384 -0.3721539 0.5929680), wk = 0.0029851 k( 112) = ( 0.3498429 -0.3618163 0.5929680), wk = 0.0029851 k( 113) = ( 0.3398474 -0.3514787 0.5929680), wk = 0.0029851 k( 114) = ( 0.3298519 -0.3411411 0.5929680), wk = 0.0029851 k( 115) = ( 0.3198564 -0.3308035 0.5929680), wk = 0.0029851 k( 116) = ( 0.3098609 -0.3204658 0.5929680), wk = 0.0029851 k( 117) = ( 0.2998653 -0.3101282 0.5929680), wk = 0.0029851 k( 118) = ( 0.2898698 -0.2997906 0.5929680), wk = 0.0029851 k( 119) = ( 0.2798743 -0.2894530 0.5929680), wk = 0.0029851 k( 120) = ( 0.2698788 -0.2791154 0.5929680), wk = 0.0029851 k( 121) = ( 0.2598833 -0.2687778 0.5929680), wk = 0.0029851 k( 122) = ( 0.2498878 -0.2584402 0.5929680), wk = 0.0029851 k( 123) = ( 0.2398923 -0.2481026 0.5929680), wk = 0.0029851 k( 124) = ( 0.2298968 -0.2377650 0.5929680), wk = 0.0029851 k( 125) = ( 0.2199012 -0.2274274 0.5929680), wk = 0.0029851 k( 126) = ( 0.2099057 -0.2170898 0.5929680), wk = 0.0029851 k( 127) = ( 0.1999102 -0.2067522 0.5929680), wk = 0.0029851 k( 128) = ( 0.1899147 -0.1964145 0.5929680), wk = 0.0029851 k( 129) = ( 0.1799192 -0.1860769 0.5929680), wk = 0.0029851 k( 130) = ( 0.1699237 -0.1757393 0.5929680), wk = 0.0029851 k( 131) = ( 0.1599282 -0.1654017 0.5929680), wk = 0.0029851 k( 132) = ( 0.1499327 -0.1550641 0.5929680), wk = 0.0029851 k( 133) = ( 0.1399372 -0.1447265 0.5929680), wk = 0.0029851 k( 134) = ( 0.1299416 -0.1343889 0.5929680), wk = 0.0029851 k( 135) = ( 0.1199461 -0.1240513 0.5929680), wk = 0.0029851 k( 136) = ( 0.1099506 -0.1137137 0.5929680), wk = 0.0029851 k( 137) = ( 0.0999551 -0.1033761 0.5929680), wk = 0.0029851 k( 138) = ( 0.0899596 -0.0930385 0.5929680), wk = 0.0029851 k( 139) = ( 0.0799641 -0.0827009 0.5929680), wk = 0.0029851 k( 140) = ( 0.0699686 -0.0723633 0.5929680), wk = 0.0029851 k( 141) = ( 0.0599731 -0.0620256 0.5929680), wk = 0.0029851 k( 142) = ( 0.0499776 -0.0516880 0.5929680), wk = 0.0029851 k( 143) = ( 0.0399820 -0.0413504 0.5929680), wk = 0.0029851 k( 144) = ( 0.0299865 -0.0310128 0.5929680), wk = 0.0029851 k( 145) = ( 0.0199910 -0.0206752 0.5929680), wk = 0.0029851 k( 146) = ( 0.0099955 -0.0103376 0.5929680), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.5929680), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.5929680), wk = 0.0029851 k( 149) = ( 0.0103495 0.0100070 0.5929680), wk = 0.0029851 k( 150) = ( 0.0206990 0.0200140 0.5929680), wk = 0.0029851 k( 151) = ( 0.0310485 0.0300210 0.5929680), wk = 0.0029851 k( 152) = ( 0.0413980 0.0400280 0.5929680), wk = 0.0029851 k( 153) = ( 0.0517475 0.0500350 0.5929680), wk = 0.0029851 k( 154) = ( 0.0620970 0.0600420 0.5929680), wk = 0.0029851 k( 155) = ( 0.0724465 0.0700491 0.5929680), wk = 0.0029851 k( 156) = ( 0.0827960 0.0800561 0.5929680), wk = 0.0029851 k( 157) = ( 0.0931455 0.0900631 0.5929680), wk = 0.0029851 k( 158) = ( 0.1034950 0.1000701 0.5929680), wk = 0.0029851 k( 159) = ( 0.1138445 0.1100771 0.5929680), wk = 0.0029851 k( 160) = ( 0.1241940 0.1200841 0.5929680), wk = 0.0029851 k( 161) = ( 0.1345435 0.1300911 0.5929680), wk = 0.0029851 k( 162) = ( 0.1448930 0.1400981 0.5929680), wk = 0.0029851 k( 163) = ( 0.1552425 0.1501051 0.5929680), wk = 0.0029851 k( 164) = ( 0.1655920 0.1601121 0.5929680), wk = 0.0029851 k( 165) = ( 0.1759415 0.1701191 0.5929680), wk = 0.0029851 k( 166) = ( 0.1862910 0.1801262 0.5929680), wk = 0.0029851 k( 167) = ( 0.1966405 0.1901332 0.5929680), wk = 0.0029851 k( 168) = ( 0.2069900 0.2001402 0.5929680), wk = 0.0029851 k( 169) = ( 0.2173395 0.2101472 0.5929680), wk = 0.0029851 k( 170) = ( 0.2276890 0.2201542 0.5929680), wk = 0.0029851 k( 171) = ( 0.2380385 0.2301612 0.5929680), wk = 0.0029851 k( 172) = ( 0.2483880 0.2401682 0.5929680), wk = 0.0029851 k( 173) = ( 0.2587375 0.2501752 0.5929680), wk = 0.0029851 k( 174) = ( 0.2690870 0.2601822 0.5929680), wk = 0.0029851 k( 175) = ( 0.2794365 0.2701892 0.5929680), wk = 0.0029851 k( 176) = ( 0.2897860 0.2801962 0.5929680), wk = 0.0029851 k( 177) = ( 0.3001355 0.2902033 0.5929680), wk = 0.0029851 k( 178) = ( 0.3104850 0.3002103 0.5929680), wk = 0.0029851 k( 179) = ( 0.3208345 0.3102173 0.5929680), wk = 0.0029851 k( 180) = ( 0.3311840 0.3202243 0.5929680), wk = 0.0029851 k( 181) = ( 0.3415335 0.3302313 0.5929680), wk = 0.0029851 k( 182) = ( 0.3518830 0.3402383 0.5929680), wk = 0.0029851 k( 183) = ( 0.3622325 0.3502453 0.5929680), wk = 0.0029851 k( 184) = ( 0.3725820 0.3602523 0.5929680), wk = 0.0029851 k( 185) = ( 0.3829315 0.3702593 0.5929680), wk = 0.0029851 k( 186) = ( 0.3932810 0.3802663 0.5929680), wk = 0.0029851 k( 187) = ( 0.4036305 0.3902733 0.5929680), wk = 0.0029851 k( 188) = ( 0.4139800 0.4002804 0.5929680), wk = 0.0029851 k( 189) = ( 0.4243294 0.4102874 0.5929680), wk = 0.0029851 k( 190) = ( 0.4346790 0.4202944 0.5929680), wk = 0.0029851 k( 191) = ( 0.4450285 0.4303014 0.5929680), wk = 0.0029851 k( 192) = ( 0.4553779 0.4403084 0.5929680), wk = 0.0029851 k( 193) = ( 0.4657274 0.4503154 0.5929680), wk = 0.0029851 k( 194) = ( 0.5000000 0.4834538 -0.0625062), wk = 0.0029851 k( 195) = ( 0.5071923 0.4760153 -0.0625062), wk = 0.0029851 k( 196) = ( 0.5143846 0.4685768 -0.0625062), wk = 0.0029851 k( 197) = ( 0.4856154 -0.5022356 0.0000000), wk = 0.0029851 k( 198) = ( 0.4757048 -0.4919859 0.0000000), wk = 0.0029851 k( 199) = ( 0.4657943 -0.4817361 0.0000000), wk = 0.0029851 k( 200) = ( 0.4558838 -0.4714864 0.0000000), wk = 0.0029851 k( 201) = ( 0.4459733 -0.4612367 0.0000000), wk = 0.0029851 k( 202) = ( 0.4360628 -0.4509870 0.0000000), wk = 0.0029851 k( 203) = ( 0.4261523 -0.4407373 0.0000000), wk = 0.0029851 k( 204) = ( 0.4162417 -0.4304876 0.0000000), wk = 0.0029851 k( 205) = ( 0.4063312 -0.4202379 0.0000000), wk = 0.0029851 k( 206) = ( 0.3964207 -0.4099882 0.0000000), wk = 0.0029851 k( 207) = ( 0.3865102 -0.3997385 0.0000000), wk = 0.0029851 k( 208) = ( 0.3765997 -0.3894888 0.0000000), wk = 0.0029851 k( 209) = ( 0.3666892 -0.3792391 0.0000000), wk = 0.0029851 k( 210) = ( 0.3567786 -0.3689894 0.0000000), wk = 0.0029851 k( 211) = ( 0.3468681 -0.3587397 0.0000000), wk = 0.0029851 k( 212) = ( 0.3369576 -0.3484900 0.0000000), wk = 0.0029851 k( 213) = ( 0.3270471 -0.3382403 0.0000000), wk = 0.0029851 k( 214) = ( 0.3171366 -0.3279906 0.0000000), wk = 0.0029851 k( 215) = ( 0.3072260 -0.3177409 0.0000000), wk = 0.0029851 k( 216) = ( 0.2973155 -0.3074912 0.0000000), wk = 0.0029851 k( 217) = ( 0.2874050 -0.2972415 0.0000000), wk = 0.0029851 k( 218) = ( 0.2774945 -0.2869917 0.0000000), wk = 0.0029851 k( 219) = ( 0.2675840 -0.2767420 0.0000000), wk = 0.0029851 k( 220) = ( 0.2576735 -0.2664923 0.0000000), wk = 0.0029851 k( 221) = ( 0.2477629 -0.2562426 0.0000000), wk = 0.0029851 k( 222) = ( 0.2378524 -0.2459929 0.0000000), wk = 0.0029851 k( 223) = ( 0.2279419 -0.2357432 0.0000000), wk = 0.0029851 k( 224) = ( 0.2180314 -0.2254935 0.0000000), wk = 0.0029851 k( 225) = ( 0.2081209 -0.2152438 0.0000000), wk = 0.0029851 k( 226) = ( 0.1982104 -0.2049941 0.0000000), wk = 0.0029851 k( 227) = ( 0.1882998 -0.1947444 0.0000000), wk = 0.0029851 k( 228) = ( 0.1783893 -0.1844947 0.0000000), wk = 0.0029851 k( 229) = ( 0.1684788 -0.1742450 0.0000000), wk = 0.0029851 k( 230) = ( 0.1585683 -0.1639953 0.0000000), wk = 0.0029851 k( 231) = ( 0.1486578 -0.1537456 0.0000000), wk = 0.0029851 k( 232) = ( 0.1387472 -0.1434959 0.0000000), wk = 0.0029851 k( 233) = ( 0.1288367 -0.1332462 0.0000000), wk = 0.0029851 k( 234) = ( 0.1189262 -0.1229965 0.0000000), wk = 0.0029851 k( 235) = ( 0.1090157 -0.1127468 0.0000000), wk = 0.0029851 k( 236) = ( 0.0991052 -0.1024970 0.0000000), wk = 0.0029851 k( 237) = ( 0.0891947 -0.0922473 0.0000000), wk = 0.0029851 k( 238) = ( 0.0792841 -0.0819976 0.0000000), wk = 0.0029851 k( 239) = ( 0.0693736 -0.0717479 0.0000000), wk = 0.0029851 k( 240) = ( 0.0594631 -0.0614982 0.0000000), wk = 0.0029851 k( 241) = ( 0.0495526 -0.0512485 0.0000000), wk = 0.0029851 k( 242) = ( 0.0396421 -0.0409988 0.0000000), wk = 0.0029851 k( 243) = ( 0.0297315 -0.0307491 0.0000000), wk = 0.0029851 k( 244) = ( 0.0198210 -0.0204994 0.0000000), wk = 0.0029851 k( 245) = ( 0.0099105 -0.0102497 0.0000000), wk = 0.0029851 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 248) = ( 0.0142857 -0.0004808 -0.0008929), wk = 0.0029851 k( 249) = ( 0.0285714 -0.0009617 -0.0017859), wk = 0.0029851 k( 250) = ( 0.0428571 -0.0014425 -0.0026788), wk = 0.0029851 k( 251) = ( 0.0571429 -0.0019234 -0.0035718), wk = 0.0029851 k( 252) = ( 0.0714286 -0.0024042 -0.0044647), wk = 0.0029851 k( 253) = ( 0.0857143 -0.0028850 -0.0053577), wk = 0.0029851 k( 254) = ( 0.1000000 -0.0033659 -0.0062506), wk = 0.0029851 k( 255) = ( 0.1142857 -0.0038467 -0.0071436), wk = 0.0029851 k( 256) = ( 0.1285714 -0.0043276 -0.0080365), wk = 0.0029851 k( 257) = ( 0.1428571 -0.0048084 -0.0089295), wk = 0.0029851 k( 258) = ( 0.1571429 -0.0052892 -0.0098224), wk = 0.0029851 k( 259) = ( 0.1714286 -0.0057701 -0.0107154), wk = 0.0029851 k( 260) = ( 0.1857143 -0.0062509 -0.0116083), wk = 0.0029851 k( 261) = ( 0.2000000 -0.0067317 -0.0125012), wk = 0.0029851 k( 262) = ( 0.2142857 -0.0072126 -0.0133942), wk = 0.0029851 k( 263) = ( 0.2285714 -0.0076934 -0.0142871), wk = 0.0029851 k( 264) = ( 0.2428571 -0.0081743 -0.0151801), wk = 0.0029851 k( 265) = ( 0.2571429 -0.0086551 -0.0160730), wk = 0.0029851 k( 266) = ( 0.2714286 -0.0091359 -0.0169660), wk = 0.0029851 k( 267) = ( 0.2857143 -0.0096168 -0.0178589), wk = 0.0029851 k( 268) = ( 0.3000000 -0.0100976 -0.0187519), wk = 0.0029851 k( 269) = ( 0.3142857 -0.0105785 -0.0196448), wk = 0.0029851 k( 270) = ( 0.3285714 -0.0110593 -0.0205378), wk = 0.0029851 k( 271) = ( 0.3428571 -0.0115401 -0.0214307), wk = 0.0029851 k( 272) = ( 0.3571429 -0.0120210 -0.0223236), wk = 0.0029851 k( 273) = ( 0.3714286 -0.0125018 -0.0232166), wk = 0.0029851 k( 274) = ( 0.3857143 -0.0129827 -0.0241095), wk = 0.0029851 k( 275) = ( 0.4000000 -0.0134635 -0.0250025), wk = 0.0029851 k( 276) = ( 0.4142857 -0.0139443 -0.0258954), wk = 0.0029851 k( 277) = ( 0.4285714 -0.0144252 -0.0267884), wk = 0.0029851 k( 278) = ( 0.4428571 -0.0149060 -0.0276813), wk = 0.0029851 k( 279) = ( 0.4571429 -0.0153868 -0.0285743), wk = 0.0029851 k( 280) = ( 0.4714286 -0.0158677 -0.0294672), wk = 0.0029851 k( 281) = ( 0.4857143 -0.0163485 -0.0303602), wk = 0.0029851 k( 282) = ( 0.5000000 -0.0168294 -0.0312531), wk = 0.0029851 k( 283) = ( 0.5000000 -0.0168294 0.5617149), wk = 0.0029851 k( 284) = ( 0.4903846 -0.0165057 0.5509127), wk = 0.0029851 k( 285) = ( 0.4807692 -0.0161821 0.5401104), wk = 0.0029851 k( 286) = ( 0.4711538 -0.0158584 0.5293082), wk = 0.0029851 k( 287) = ( 0.4615385 -0.0155348 0.5185060), wk = 0.0029851 k( 288) = ( 0.4519231 -0.0152112 0.5077038), wk = 0.0029851 k( 289) = ( 0.4423077 -0.0148875 0.4969016), wk = 0.0029851 k( 290) = ( 0.4326923 -0.0145639 0.4860994), wk = 0.0029851 k( 291) = ( 0.4230769 -0.0142402 0.4752972), wk = 0.0029851 k( 292) = ( 0.4134615 -0.0139166 0.4644950), wk = 0.0029851 k( 293) = ( 0.4038462 -0.0135929 0.4536928), wk = 0.0029851 k( 294) = ( 0.3942308 -0.0132693 0.4428906), wk = 0.0029851 k( 295) = ( 0.3846154 -0.0129457 0.4320884), wk = 0.0029851 k( 296) = ( 0.3750000 -0.0126220 0.4212861), wk = 0.0029851 k( 297) = ( 0.3653846 -0.0122984 0.4104839), wk = 0.0029851 k( 298) = ( 0.3557692 -0.0119747 0.3996817), wk = 0.0029851 k( 299) = ( 0.3461538 -0.0116511 0.3888795), wk = 0.0029851 k( 300) = ( 0.3365385 -0.0113275 0.3780773), wk = 0.0029851 k( 301) = ( 0.3269231 -0.0110038 0.3672751), wk = 0.0029851 k( 302) = ( 0.3173077 -0.0106802 0.3564729), wk = 0.0029851 k( 303) = ( 0.3076923 -0.0103565 0.3456707), wk = 0.0029851 k( 304) = ( 0.2980769 -0.0100329 0.3348685), wk = 0.0029851 k( 305) = ( 0.2884615 -0.0097092 0.3240663), wk = 0.0029851 k( 306) = ( 0.2788462 -0.0093856 0.3132641), wk = 0.0029851 k( 307) = ( 0.2692308 -0.0090620 0.3024619), wk = 0.0029851 k( 308) = ( 0.2596154 -0.0087383 0.2916596), wk = 0.0029851 k( 309) = ( 0.2500000 -0.0084147 0.2808574), wk = 0.0029851 k( 310) = ( 0.2403846 -0.0080910 0.2700552), wk = 0.0029851 k( 311) = ( 0.2307692 -0.0077674 0.2592530), wk = 0.0029851 k( 312) = ( 0.2211539 -0.0074438 0.2484508), wk = 0.0029851 k( 313) = ( 0.2115385 -0.0071201 0.2376486), wk = 0.0029851 k( 314) = ( 0.2019231 -0.0067965 0.2268464), wk = 0.0029851 k( 315) = ( 0.1923077 -0.0064728 0.2160442), wk = 0.0029851 k( 316) = ( 0.1826923 -0.0061492 0.2052420), wk = 0.0029851 k( 317) = ( 0.1730769 -0.0058255 0.1944398), wk = 0.0029851 k( 318) = ( 0.1634615 -0.0055019 0.1836376), wk = 0.0029851 k( 319) = ( 0.1538461 -0.0051783 0.1728353), wk = 0.0029851 k( 320) = ( 0.1442308 -0.0048546 0.1620331), wk = 0.0029851 k( 321) = ( 0.1346154 -0.0045310 0.1512309), wk = 0.0029851 k( 322) = ( 0.1250000 -0.0042073 0.1404287), wk = 0.0029851 k( 323) = ( 0.1153846 -0.0038837 0.1296265), wk = 0.0029851 k( 324) = ( 0.1057692 -0.0035601 0.1188243), wk = 0.0029851 k( 325) = ( 0.0961538 -0.0032364 0.1080221), wk = 0.0029851 k( 326) = ( 0.0865385 -0.0029128 0.0972199), wk = 0.0029851 k( 327) = ( 0.0769231 -0.0025891 0.0864177), wk = 0.0029851 k( 328) = ( 0.0673077 -0.0022655 0.0756155), wk = 0.0029851 k( 329) = ( 0.0576923 -0.0019419 0.0648133), wk = 0.0029851 k( 330) = ( 0.0480769 -0.0016182 0.0540110), wk = 0.0029851 k( 331) = ( 0.0384615 -0.0012946 0.0432088), wk = 0.0029851 k( 332) = ( 0.0288462 -0.0009709 0.0324066), wk = 0.0029851 k( 333) = ( 0.0192308 -0.0006473 0.0216044), wk = 0.0029851 k( 334) = ( 0.0096154 -0.0003236 0.0108022), wk = 0.0029851 k( 335) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0102041 0.0102041 0.0000000), wk = 0.0029851 k( 3) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0029851 k( 4) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0029851 k( 5) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0029851 k( 6) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0029851 k( 7) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0029851 k( 8) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0029851 k( 9) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0029851 k( 10) = ( 0.0918367 0.0918367 0.0000000), wk = 0.0029851 k( 11) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0029851 k( 12) = ( 0.1122449 0.1122449 0.0000000), wk = 0.0029851 k( 13) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0029851 k( 14) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0029851 k( 15) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0029851 k( 16) = ( 0.1530612 0.1530612 0.0000000), wk = 0.0029851 k( 17) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0029851 k( 18) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0029851 k( 19) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0029851 k( 20) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0029851 k( 21) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0029851 k( 22) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0029851 k( 23) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0029851 k( 24) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0029851 k( 25) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0029851 k( 26) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0029851 k( 27) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0029851 k( 28) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0029851 k( 29) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0029851 k( 30) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0029851 k( 31) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0029851 k( 32) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0029851 k( 33) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0029851 k( 34) = ( 0.3367347 0.3367347 0.0000000), wk = 0.0029851 k( 35) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0029851 k( 36) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0029851 k( 37) = ( 0.3673469 0.3673469 0.0000000), wk = 0.0029851 k( 38) = ( 0.3775510 0.3775510 0.0000000), wk = 0.0029851 k( 39) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0029851 k( 40) = ( 0.3979592 0.3979592 0.0000000), wk = 0.0029851 k( 41) = ( 0.4081633 0.4081633 0.0000000), wk = 0.0029851 k( 42) = ( 0.4183674 0.4183674 0.0000000), wk = 0.0029851 k( 43) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0029851 k( 44) = ( 0.4387755 0.4387755 0.0000000), wk = 0.0029851 k( 45) = ( 0.4489796 0.4489796 0.0000000), wk = 0.0029851 k( 46) = ( 0.4591837 0.4591837 0.0000000), wk = 0.0029851 k( 47) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0029851 k( 48) = ( 0.4795918 0.4795918 0.0000000), wk = 0.0029851 k( 49) = ( 0.4897959 0.4897959 0.0000000), wk = 0.0029851 k( 50) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029851 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029851 k( 52) = ( 0.5009263 0.5009263 0.0121867), wk = 0.0029851 k( 53) = ( 0.5018526 0.5018526 0.0243733), wk = 0.0029851 k( 54) = ( 0.5027789 0.5027789 0.0365600), wk = 0.0029851 k( 55) = ( 0.5037051 0.5037051 0.0487467), wk = 0.0029851 k( 56) = ( 0.5046314 0.5046314 0.0609333), wk = 0.0029851 k( 57) = ( 0.5055577 0.5055577 0.0731200), wk = 0.0029851 k( 58) = ( 0.5064840 0.5064840 0.0853066), wk = 0.0029851 k( 59) = ( 0.5074103 0.5074103 0.0974933), wk = 0.0029851 k( 60) = ( 0.5083366 0.5083366 0.1096800), wk = 0.0029851 k( 61) = ( 0.5092629 0.5092629 0.1218666), wk = 0.0029851 k( 62) = ( 0.5101891 0.5101891 0.1340533), wk = 0.0029851 k( 63) = ( 0.5111154 0.5111154 0.1462400), wk = 0.0029851 k( 64) = ( 0.5120417 0.5120417 0.1584266), wk = 0.0029851 k( 65) = ( 0.5129680 0.5129680 0.1706133), wk = 0.0029851 k( 66) = ( 0.5138943 0.5138943 0.1827999), wk = 0.0029851 k( 67) = ( 0.5148206 0.5148206 0.1949866), wk = 0.0029851 k( 68) = ( 0.5157468 0.5157468 0.2071733), wk = 0.0029851 k( 69) = ( 0.5166731 0.5166731 0.2193599), wk = 0.0029851 k( 70) = ( 0.5175994 0.5175994 0.2315466), wk = 0.0029851 k( 71) = ( 0.5185257 0.5185257 0.2437333), wk = 0.0029851 k( 72) = ( 0.5194520 0.5194520 0.2559199), wk = 0.0029851 k( 73) = ( 0.5203783 0.5203783 0.2681066), wk = 0.0029851 k( 74) = ( 0.5213046 0.5213046 0.2802932), wk = 0.0029851 k( 75) = ( 0.5222308 0.5222308 0.2924799), wk = 0.0029851 k( 76) = ( 0.5231571 0.5231571 0.3046666), wk = 0.0029851 k( 77) = ( 0.5240834 0.5240834 0.3168532), wk = 0.0029851 k( 78) = ( 0.5250097 0.5250097 0.3290399), wk = 0.0029851 k( 79) = ( 0.5259360 0.5259360 0.3412266), wk = 0.0029851 k( 80) = ( 0.5268623 0.5268623 0.3534132), wk = 0.0029851 k( 81) = ( 0.5277886 0.5277886 0.3655999), wk = 0.0029851 k( 82) = ( 0.5287148 0.5287148 0.3777865), wk = 0.0029851 k( 83) = ( 0.5296411 0.5296411 0.3899732), wk = 0.0029851 k( 84) = ( 0.5305674 0.5305674 0.4021599), wk = 0.0029851 k( 85) = ( 0.5314937 0.5314937 0.4143465), wk = 0.0029851 k( 86) = ( 0.5324200 0.5324200 0.4265332), wk = 0.0029851 k( 87) = ( 0.5333463 0.5333463 0.4387199), wk = 0.0029851 k( 88) = ( 0.5342725 0.5342726 0.4509065), wk = 0.0029851 k( 89) = ( 0.5342725 0.5342726 0.4509065), wk = 0.0029851 k( 90) = ( 0.5285605 0.5285605 0.4590888), wk = 0.0029851 k( 91) = ( 0.5228484 0.5228484 0.4672710), wk = 0.0029851 k( 92) = ( 0.5171363 0.5171363 0.4754533), wk = 0.0029851 k( 93) = ( 0.5114242 0.5114242 0.4836355), wk = 0.0029851 k( 94) = ( 0.5057121 0.5057121 0.4918177), wk = 0.0029851 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 97) = ( 0.5100404 0.4899596 0.5000000), wk = 0.0029851 k( 98) = ( 0.5200808 0.4799192 0.5000000), wk = 0.0029851 k( 99) = ( 0.5301212 0.4698788 0.5000000), wk = 0.0029851 k( 100) = ( 0.5401616 0.4598384 0.5000000), wk = 0.0029851 k( 101) = ( 0.5502020 0.4497980 0.5000000), wk = 0.0029851 k( 102) = ( 0.4497980 -0.4497980 0.5000000), wk = 0.0029851 k( 103) = ( 0.4398025 -0.4398025 0.5000000), wk = 0.0029851 k( 104) = ( 0.4298070 -0.4298070 0.5000000), wk = 0.0029851 k( 105) = ( 0.4198115 -0.4198115 0.5000000), wk = 0.0029851 k( 106) = ( 0.4098160 -0.4098160 0.5000000), wk = 0.0029851 k( 107) = ( 0.3998204 -0.3998205 0.5000000), wk = 0.0029851 k( 108) = ( 0.3898249 -0.3898249 0.5000000), wk = 0.0029851 k( 109) = ( 0.3798294 -0.3798294 0.5000000), wk = 0.0029851 k( 110) = ( 0.3698339 -0.3698339 0.5000000), wk = 0.0029851 k( 111) = ( 0.3598384 -0.3598384 0.5000000), wk = 0.0029851 k( 112) = ( 0.3498429 -0.3498429 0.5000000), wk = 0.0029851 k( 113) = ( 0.3398474 -0.3398474 0.5000000), wk = 0.0029851 k( 114) = ( 0.3298519 -0.3298519 0.5000000), wk = 0.0029851 k( 115) = ( 0.3198564 -0.3198564 0.5000000), wk = 0.0029851 k( 116) = ( 0.3098609 -0.3098609 0.5000000), wk = 0.0029851 k( 117) = ( 0.2998653 -0.2998653 0.5000000), wk = 0.0029851 k( 118) = ( 0.2898698 -0.2898698 0.5000000), wk = 0.0029851 k( 119) = ( 0.2798743 -0.2798743 0.5000000), wk = 0.0029851 k( 120) = ( 0.2698788 -0.2698788 0.5000000), wk = 0.0029851 k( 121) = ( 0.2598833 -0.2598833 0.5000000), wk = 0.0029851 k( 122) = ( 0.2498878 -0.2498878 0.5000000), wk = 0.0029851 k( 123) = ( 0.2398923 -0.2398923 0.5000000), wk = 0.0029851 k( 124) = ( 0.2298968 -0.2298968 0.5000000), wk = 0.0029851 k( 125) = ( 0.2199012 -0.2199013 0.5000000), wk = 0.0029851 k( 126) = ( 0.2099057 -0.2099057 0.5000000), wk = 0.0029851 k( 127) = ( 0.1999102 -0.1999102 0.5000000), wk = 0.0029851 k( 128) = ( 0.1899147 -0.1899147 0.5000000), wk = 0.0029851 k( 129) = ( 0.1799192 -0.1799192 0.5000000), wk = 0.0029851 k( 130) = ( 0.1699237 -0.1699237 0.5000000), wk = 0.0029851 k( 131) = ( 0.1599282 -0.1599282 0.5000000), wk = 0.0029851 k( 132) = ( 0.1499327 -0.1499327 0.5000000), wk = 0.0029851 k( 133) = ( 0.1399372 -0.1399372 0.5000000), wk = 0.0029851 k( 134) = ( 0.1299416 -0.1299416 0.5000000), wk = 0.0029851 k( 135) = ( 0.1199461 -0.1199461 0.5000000), wk = 0.0029851 k( 136) = ( 0.1099506 -0.1099506 0.5000000), wk = 0.0029851 k( 137) = ( 0.0999551 -0.0999551 0.5000000), wk = 0.0029851 k( 138) = ( 0.0899596 -0.0899596 0.5000000), wk = 0.0029851 k( 139) = ( 0.0799641 -0.0799641 0.5000000), wk = 0.0029851 k( 140) = ( 0.0699686 -0.0699686 0.5000000), wk = 0.0029851 k( 141) = ( 0.0599731 -0.0599731 0.5000000), wk = 0.0029851 k( 142) = ( 0.0499776 -0.0499776 0.5000000), wk = 0.0029851 k( 143) = ( 0.0399820 -0.0399820 0.5000000), wk = 0.0029851 k( 144) = ( 0.0299865 -0.0299865 0.5000000), wk = 0.0029851 k( 145) = ( 0.0199910 -0.0199910 0.5000000), wk = 0.0029851 k( 146) = ( 0.0099955 -0.0099955 0.5000000), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 149) = ( 0.0103495 0.0103495 0.5010910), wk = 0.0029851 k( 150) = ( 0.0206990 0.0206990 0.5021819), wk = 0.0029851 k( 151) = ( 0.0310485 0.0310485 0.5032729), wk = 0.0029851 k( 152) = ( 0.0413980 0.0413980 0.5043639), wk = 0.0029851 k( 153) = ( 0.0517475 0.0517475 0.5054548), wk = 0.0029851 k( 154) = ( 0.0620970 0.0620970 0.5065458), wk = 0.0029851 k( 155) = ( 0.0724465 0.0724465 0.5076368), wk = 0.0029851 k( 156) = ( 0.0827960 0.0827960 0.5087277), wk = 0.0029851 k( 157) = ( 0.0931455 0.0931455 0.5098187), wk = 0.0029851 k( 158) = ( 0.1034950 0.1034950 0.5109097), wk = 0.0029851 k( 159) = ( 0.1138445 0.1138445 0.5120006), wk = 0.0029851 k( 160) = ( 0.1241940 0.1241940 0.5130916), wk = 0.0029851 k( 161) = ( 0.1345435 0.1345435 0.5141826), wk = 0.0029851 k( 162) = ( 0.1448930 0.1448930 0.5152735), wk = 0.0029851 k( 163) = ( 0.1552425 0.1552425 0.5163645), wk = 0.0029851 k( 164) = ( 0.1655920 0.1655920 0.5174555), wk = 0.0029851 k( 165) = ( 0.1759415 0.1759415 0.5185464), wk = 0.0029851 k( 166) = ( 0.1862910 0.1862910 0.5196374), wk = 0.0029851 k( 167) = ( 0.1966405 0.1966405 0.5207284), wk = 0.0029851 k( 168) = ( 0.2069900 0.2069900 0.5218193), wk = 0.0029851 k( 169) = ( 0.2173395 0.2173395 0.5229103), wk = 0.0029851 k( 170) = ( 0.2276890 0.2276890 0.5240012), wk = 0.0029851 k( 171) = ( 0.2380385 0.2380385 0.5250922), wk = 0.0029851 k( 172) = ( 0.2483880 0.2483880 0.5261832), wk = 0.0029851 k( 173) = ( 0.2587375 0.2587375 0.5272741), wk = 0.0029851 k( 174) = ( 0.2690870 0.2690870 0.5283651), wk = 0.0029851 k( 175) = ( 0.2794365 0.2794365 0.5294561), wk = 0.0029851 k( 176) = ( 0.2897860 0.2897860 0.5305471), wk = 0.0029851 k( 177) = ( 0.3001355 0.3001355 0.5316380), wk = 0.0029851 k( 178) = ( 0.3104850 0.3104850 0.5327290), wk = 0.0029851 k( 179) = ( 0.3208345 0.3208345 0.5338199), wk = 0.0029851 k( 180) = ( 0.3311840 0.3311840 0.5349109), wk = 0.0029851 k( 181) = ( 0.3415335 0.3415335 0.5360019), wk = 0.0029851 k( 182) = ( 0.3518830 0.3518830 0.5370928), wk = 0.0029851 k( 183) = ( 0.3622325 0.3622325 0.5381838), wk = 0.0029851 k( 184) = ( 0.3725820 0.3725820 0.5392748), wk = 0.0029851 k( 185) = ( 0.3829315 0.3829315 0.5403657), wk = 0.0029851 k( 186) = ( 0.3932810 0.3932810 0.5414567), wk = 0.0029851 k( 187) = ( 0.4036305 0.4036305 0.5425477), wk = 0.0029851 k( 188) = ( 0.4139800 0.4139800 0.5436386), wk = 0.0029851 k( 189) = ( 0.4243294 0.4243294 0.5447296), wk = 0.0029851 k( 190) = ( 0.4346790 0.4346790 0.5458206), wk = 0.0029851 k( 191) = ( 0.4450285 0.4450285 0.5469115), wk = 0.0029851 k( 192) = ( 0.4553779 0.4553779 0.5480025), wk = 0.0029851 k( 193) = ( 0.4657274 0.4657275 0.5490935), wk = 0.0029851 k( 194) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029851 k( 195) = ( 0.5071923 0.4928077 0.0000000), wk = 0.0029851 k( 196) = ( 0.5143846 0.4856154 0.0000000), wk = 0.0029851 k( 197) = ( 0.4856154 -0.4856154 -0.0000000), wk = 0.0029851 k( 198) = ( 0.4757048 -0.4757048 -0.0000000), wk = 0.0029851 k( 199) = ( 0.4657943 -0.4657943 -0.0000000), wk = 0.0029851 k( 200) = ( 0.4558838 -0.4558838 -0.0000000), wk = 0.0029851 k( 201) = ( 0.4459733 -0.4459733 -0.0000000), wk = 0.0029851 k( 202) = ( 0.4360628 -0.4360628 -0.0000000), wk = 0.0029851 k( 203) = ( 0.4261523 -0.4261523 -0.0000000), wk = 0.0029851 k( 204) = ( 0.4162417 -0.4162417 -0.0000000), wk = 0.0029851 k( 205) = ( 0.4063312 -0.4063312 -0.0000000), wk = 0.0029851 k( 206) = ( 0.3964207 -0.3964207 -0.0000000), wk = 0.0029851 k( 207) = ( 0.3865102 -0.3865102 -0.0000000), wk = 0.0029851 k( 208) = ( 0.3765997 -0.3765997 -0.0000000), wk = 0.0029851 k( 209) = ( 0.3666892 -0.3666892 -0.0000000), wk = 0.0029851 k( 210) = ( 0.3567786 -0.3567786 -0.0000000), wk = 0.0029851 k( 211) = ( 0.3468681 -0.3468681 -0.0000000), wk = 0.0029851 k( 212) = ( 0.3369576 -0.3369576 -0.0000000), wk = 0.0029851 k( 213) = ( 0.3270471 -0.3270471 -0.0000000), wk = 0.0029851 k( 214) = ( 0.3171366 -0.3171366 -0.0000000), wk = 0.0029851 k( 215) = ( 0.3072260 -0.3072260 -0.0000000), wk = 0.0029851 k( 216) = ( 0.2973155 -0.2973155 -0.0000000), wk = 0.0029851 k( 217) = ( 0.2874050 -0.2874050 -0.0000000), wk = 0.0029851 k( 218) = ( 0.2774945 -0.2774945 -0.0000000), wk = 0.0029851 k( 219) = ( 0.2675840 -0.2675840 -0.0000000), wk = 0.0029851 k( 220) = ( 0.2576735 -0.2576735 -0.0000000), wk = 0.0029851 k( 221) = ( 0.2477629 -0.2477629 -0.0000000), wk = 0.0029851 k( 222) = ( 0.2378524 -0.2378524 -0.0000000), wk = 0.0029851 k( 223) = ( 0.2279419 -0.2279419 -0.0000000), wk = 0.0029851 k( 224) = ( 0.2180314 -0.2180314 -0.0000000), wk = 0.0029851 k( 225) = ( 0.2081209 -0.2081209 -0.0000000), wk = 0.0029851 k( 226) = ( 0.1982104 -0.1982104 -0.0000000), wk = 0.0029851 k( 227) = ( 0.1882998 -0.1882998 -0.0000000), wk = 0.0029851 k( 228) = ( 0.1783893 -0.1783893 -0.0000000), wk = 0.0029851 k( 229) = ( 0.1684788 -0.1684788 -0.0000000), wk = 0.0029851 k( 230) = ( 0.1585683 -0.1585683 -0.0000000), wk = 0.0029851 k( 231) = ( 0.1486578 -0.1486578 -0.0000000), wk = 0.0029851 k( 232) = ( 0.1387472 -0.1387472 -0.0000000), wk = 0.0029851 k( 233) = ( 0.1288367 -0.1288367 -0.0000000), wk = 0.0029851 k( 234) = ( 0.1189262 -0.1189262 -0.0000000), wk = 0.0029851 k( 235) = ( 0.1090157 -0.1090157 -0.0000000), wk = 0.0029851 k( 236) = ( 0.0991052 -0.0991052 -0.0000000), wk = 0.0029851 k( 237) = ( 0.0891947 -0.0891947 -0.0000000), wk = 0.0029851 k( 238) = ( 0.0792841 -0.0792841 -0.0000000), wk = 0.0029851 k( 239) = ( 0.0693736 -0.0693736 -0.0000000), wk = 0.0029851 k( 240) = ( 0.0594631 -0.0594631 -0.0000000), wk = 0.0029851 k( 241) = ( 0.0495526 -0.0495526 -0.0000000), wk = 0.0029851 k( 242) = ( 0.0396421 -0.0396421 -0.0000000), wk = 0.0029851 k( 243) = ( 0.0297315 -0.0297316 -0.0000000), wk = 0.0029851 k( 244) = ( 0.0198210 -0.0198210 -0.0000000), wk = 0.0029851 k( 245) = ( 0.0099105 -0.0099105 -0.0000000), wk = 0.0029851 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 248) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0029851 k( 249) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0029851 k( 250) = ( 0.0428571 0.0000000 -0.0000000), wk = 0.0029851 k( 251) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0029851 k( 252) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0029851 k( 253) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0029851 k( 254) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0029851 k( 255) = ( 0.1142857 -0.0000000 0.0000000), wk = 0.0029851 k( 256) = ( 0.1285714 0.0000000 0.0000000), wk = 0.0029851 k( 257) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0029851 k( 258) = ( 0.1571429 0.0000000 0.0000000), wk = 0.0029851 k( 259) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0029851 k( 260) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0029851 k( 261) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0029851 k( 262) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0029851 k( 263) = ( 0.2285714 -0.0000000 0.0000000), wk = 0.0029851 k( 264) = ( 0.2428571 0.0000000 0.0000000), wk = 0.0029851 k( 265) = ( 0.2571429 0.0000000 0.0000000), wk = 0.0029851 k( 266) = ( 0.2714286 0.0000000 -0.0000000), wk = 0.0029851 k( 267) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0029851 k( 268) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0029851 k( 269) = ( 0.3142857 0.0000000 0.0000000), wk = 0.0029851 k( 270) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0029851 k( 271) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0029851 k( 272) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0029851 k( 273) = ( 0.3714286 -0.0000000 0.0000000), wk = 0.0029851 k( 274) = ( 0.3857143 -0.0000000 0.0000000), wk = 0.0029851 k( 275) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0029851 k( 276) = ( 0.4142857 -0.0000000 0.0000000), wk = 0.0029851 k( 277) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0029851 k( 278) = ( 0.4428571 -0.0000000 0.0000000), wk = 0.0029851 k( 279) = ( 0.4571429 -0.0000000 0.0000000), wk = 0.0029851 k( 280) = ( 0.4714286 0.0000000 -0.0000000), wk = 0.0029851 k( 281) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0029851 k( 282) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029851 k( 283) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029851 k( 284) = ( 0.4903846 -0.0000000 0.4903846), wk = 0.0029851 k( 285) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0029851 k( 286) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0029851 k( 287) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0029851 k( 288) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0029851 k( 289) = ( 0.4423077 -0.0000000 0.4423077), wk = 0.0029851 k( 290) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0029851 k( 291) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0029851 k( 292) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0029851 k( 293) = ( 0.4038462 -0.0000000 0.4038461), wk = 0.0029851 k( 294) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0029851 k( 295) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0029851 k( 296) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0029851 k( 297) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0029851 k( 298) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0029851 k( 299) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0029851 k( 300) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0029851 k( 301) = ( 0.3269231 0.0000000 0.3269231), wk = 0.0029851 k( 302) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0029851 k( 303) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0029851 k( 304) = ( 0.2980769 -0.0000000 0.2980769), wk = 0.0029851 k( 305) = ( 0.2884615 0.0000000 0.2884615), wk = 0.0029851 k( 306) = ( 0.2788462 0.0000000 0.2788461), wk = 0.0029851 k( 307) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0029851 k( 308) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0029851 k( 309) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0029851 k( 310) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0029851 k( 311) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0029851 k( 312) = ( 0.2211539 -0.0000000 0.2211539), wk = 0.0029851 k( 313) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0029851 k( 314) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0029851 k( 315) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0029851 k( 316) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0029851 k( 317) = ( 0.1730769 0.0000000 0.1730769), wk = 0.0029851 k( 318) = ( 0.1634615 0.0000000 0.1634615), wk = 0.0029851 k( 319) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0029851 k( 320) = ( 0.1442308 0.0000000 0.1442308), wk = 0.0029851 k( 321) = ( 0.1346154 -0.0000000 0.1346154), wk = 0.0029851 k( 322) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0029851 k( 323) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0029851 k( 324) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0029851 k( 325) = ( 0.0961538 -0.0000000 0.0961538), wk = 0.0029851 k( 326) = ( 0.0865385 0.0000000 0.0865385), wk = 0.0029851 k( 327) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0029851 k( 328) = ( 0.0673077 -0.0000000 0.0673077), wk = 0.0029851 k( 329) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0029851 k( 330) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0029851 k( 331) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0029851 k( 332) = ( 0.0288462 -0.0000000 0.0288462), wk = 0.0029851 k( 333) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0029851 k( 334) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0029851 k( 335) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 Dense grid: 75715 G-vectors FFT dimensions: ( 60, 60, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 408, 48) NL pseudopotentials 0.39 Mb ( 204, 126) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1577) G-vector shells 0.01 Mb ( 1532) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 408, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 126, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Li4CO4.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 41.9 secs Computing kpt #: 3 total cpu time spent up to now is 44.1 secs Computing kpt #: 4 total cpu time spent up to now is 46.3 secs Computing kpt #: 5 total cpu time spent up to now is 48.4 secs Computing kpt #: 6 total cpu time spent up to now is 50.7 secs Computing kpt #: 7 total cpu time spent up to now is 53.0 secs Computing kpt #: 8 total cpu time spent up to now is 55.2 secs Computing kpt #: 9 total cpu time spent up to now is 57.4 secs Computing kpt #: 10 total cpu time spent up to now is 59.7 secs Computing kpt #: 11 total cpu time spent up to now is 61.9 secs Computing kpt #: 12 total cpu time spent up to now is 64.2 secs Computing kpt #: 13 total cpu time spent up to now is 66.6 secs Computing kpt #: 14 total cpu time spent up to now is 69.1 secs Computing kpt #: 15 total cpu time spent up to now is 71.3 secs Computing kpt #: 16 total cpu time spent up to now is 73.7 secs Computing kpt #: 17 total cpu time spent up to now is 76.0 secs Computing kpt #: 18 total cpu time spent up to now is 78.9 secs Computing kpt #: 19 total cpu time spent up to now is 81.4 secs Computing kpt #: 20 total cpu time spent up to now is 83.8 secs Computing kpt #: 21 total cpu time spent up to now is 86.2 secs Computing kpt #: 22 total cpu time spent up to now is 88.6 secs Computing kpt #: 23 total cpu time spent up to now is 91.0 secs Computing kpt #: 24 total cpu time spent up to now is 93.5 secs Computing kpt #: 25 total cpu time spent up to now is 95.9 secs Computing kpt #: 26 total cpu time spent up to now is 98.4 secs Computing kpt #: 27 total cpu time spent up to now is 101.1 secs Computing kpt #: 28 total cpu time spent up to now is 103.7 secs Computing kpt #: 29 total cpu time spent up to now is 106.2 secs Computing kpt #: 30 total cpu time spent up to now is 108.8 secs Computing kpt #: 31 total cpu time spent up to now is 111.4 secs Computing kpt #: 32 total cpu time spent up to now is 114.1 secs Computing kpt #: 33 total cpu time spent up to now is 117.3 secs Computing kpt #: 34 total cpu time spent up to now is 121.4 secs Computing kpt #: 35 total cpu time spent up to now is 124.5 secs Computing kpt #: 36 total cpu time spent up to now is 127.0 secs Computing kpt #: 37 total cpu time spent up to now is 129.6 secs Computing kpt #: 38 total cpu time spent up to now is 132.5 secs Computing kpt #: 39 total cpu time spent up to now is 135.3 secs Computing kpt #: 40 total cpu time spent up to now is 138.1 secs Computing kpt #: 41 total cpu time spent up to now is 141.2 secs Computing kpt #: 42 total cpu time spent up to now is 144.0 secs Computing kpt #: 43 total cpu time spent up to now is 146.8 secs Computing kpt #: 44 total cpu time spent up to now is 149.7 secs Computing kpt #: 45 total cpu time spent up to now is 152.5 secs Computing kpt #: 46 total cpu time spent up to now is 155.3 secs Computing kpt #: 47 total cpu time spent up to now is 158.1 secs Computing kpt #: 48 total cpu time spent up to now is 160.9 secs Computing kpt #: 49 total cpu time spent up to now is 163.7 secs Computing kpt #: 50 total cpu time spent up to now is 166.5 secs Computing kpt #: 51 total cpu time spent up to now is 169.3 secs Computing kpt #: 52 total cpu time spent up to now is 172.1 secs Computing kpt #: 53 total cpu time spent up to now is 175.0 secs Computing kpt #: 54 total cpu time spent up to now is 177.9 secs Computing kpt #: 55 total cpu time spent up to now is 180.9 secs Computing kpt #: 56 total cpu time spent up to now is 183.8 secs Computing kpt #: 57 total cpu time spent up to now is 186.8 secs Computing kpt #: 58 total cpu time spent up to now is 189.7 secs Computing kpt #: 59 total cpu time spent up to now is 192.5 secs Computing kpt #: 60 total cpu time spent up to now is 195.3 secs Computing kpt #: 61 total cpu time spent up to now is 197.9 secs Computing kpt #: 62 total cpu time spent up to now is 200.4 secs Computing kpt #: 63 total cpu time spent up to now is 203.0 secs Computing kpt #: 64 total cpu time spent up to now is 205.6 secs Computing kpt #: 65 total cpu time spent up to now is 208.2 secs Computing kpt #: 66 total cpu time spent up to now is 210.8 secs Computing kpt #: 67 total cpu time spent up to now is 213.6 secs Computing kpt #: 68 total cpu time spent up to now is 216.2 secs Computing kpt #: 69 total cpu time spent up to now is 218.9 secs Computing kpt #: 70 total cpu time spent up to now is 221.6 secs Computing kpt #: 71 total cpu time spent up to now is 224.0 secs Computing kpt #: 72 total cpu time spent up to now is 226.6 secs Computing kpt #: 73 total cpu time spent up to now is 229.0 secs Computing kpt #: 74 total cpu time spent up to now is 231.5 secs Computing kpt #: 75 total cpu time spent up to now is 234.0 secs Computing kpt #: 76 total cpu time spent up to now is 236.3 secs Computing kpt #: 77 total cpu time spent up to now is 238.8 secs Computing kpt #: 78 total cpu time spent up to now is 241.2 secs Computing kpt #: 79 total cpu time spent up to now is 243.6 secs Computing kpt #: 80 total cpu time spent up to now is 246.1 secs Computing kpt #: 81 total cpu time spent up to now is 248.5 secs Computing kpt #: 82 total cpu time spent up to now is 251.0 secs Computing kpt #: 83 total cpu time spent up to now is 253.5 secs Computing kpt #: 84 total cpu time spent up to now is 256.0 secs Computing kpt #: 85 total cpu time spent up to now is 258.4 secs Computing kpt #: 86 total cpu time spent up to now is 260.7 secs Computing kpt #: 87 total cpu time spent up to now is 263.1 secs Computing kpt #: 88 total cpu time spent up to now is 265.5 secs Computing kpt #: 89 total cpu time spent up to now is 267.8 secs Computing kpt #: 90 total cpu time spent up to now is 270.3 secs Computing kpt #: 91 total cpu time spent up to now is 272.6 secs Computing kpt #: 92 total cpu time spent up to now is 275.0 secs Computing kpt #: 93 total cpu time spent up to now is 277.4 secs Computing kpt #: 94 total cpu time spent up to now is 279.8 secs Computing kpt #: 95 total cpu time spent up to now is 282.1 secs Computing kpt #: 96 total cpu time spent up to now is 284.3 secs Computing kpt #: 97 total cpu time spent up to now is 286.6 secs Computing kpt #: 98 total cpu time spent up to now is 288.8 secs Computing kpt #: 99 total cpu time spent up to now is 291.1 secs Computing kpt #: 100 total cpu time spent up to now is 293.4 secs Computing kpt #: 101 total cpu time spent up to now is 295.7 secs Computing kpt #: 102 total cpu time spent up to now is 298.0 secs Computing kpt #: 103 total cpu time spent up to now is 300.3 secs Computing kpt #: 104 total cpu time spent up to now is 302.6 secs Computing kpt #: 105 total cpu time spent up to now is 305.0 secs Computing kpt #: 106 total cpu time spent up to now is 307.3 secs Computing kpt #: 107 total cpu time spent up to now is 309.7 secs Computing kpt #: 108 total cpu time spent up to now is 312.1 secs Computing kpt #: 109 total cpu time spent up to now is 314.5 secs Computing kpt #: 110 total cpu time spent up to now is 317.0 secs Computing kpt #: 111 total cpu time spent up to now is 319.4 secs Computing kpt #: 112 total cpu time spent up to now is 321.8 secs Computing kpt #: 113 total cpu time spent up to now is 324.1 secs Computing kpt #: 114 total cpu time spent up to now is 326.5 secs Computing kpt #: 115 total cpu time spent up to now is 328.9 secs Computing kpt #: 116 total cpu time spent up to now is 331.2 secs Computing kpt #: 117 total cpu time spent up to now is 333.6 secs Computing kpt #: 118 total cpu time spent up to now is 335.9 secs Computing kpt #: 119 total cpu time spent up to now is 338.4 secs Computing kpt #: 120 total cpu time spent up to now is 340.8 secs Computing kpt #: 121 total cpu time spent up to now is 343.2 secs Computing kpt #: 122 total cpu time spent up to now is 345.8 secs Computing kpt #: 123 total cpu time spent up to now is 348.3 secs Computing kpt #: 124 total cpu time spent up to now is 350.8 secs Computing kpt #: 125 total cpu time spent up to now is 353.3 secs Computing kpt #: 126 total cpu time spent up to now is 355.7 secs Computing kpt #: 127 total cpu time spent up to now is 358.2 secs Computing kpt #: 128 total cpu time spent up to now is 360.7 secs Computing kpt #: 129 total cpu time spent up to now is 363.2 secs Computing kpt #: 130 total cpu time spent up to now is 365.7 secs Computing kpt #: 131 total cpu time spent up to now is 368.2 secs Computing kpt #: 132 total cpu time spent up to now is 370.8 secs Computing kpt #: 133 total cpu time spent up to now is 373.2 secs Computing kpt #: 134 total cpu time spent up to now is 375.9 secs Computing kpt #: 135 total cpu time spent up to now is 378.6 secs Computing kpt #: 136 total cpu time spent up to now is 381.2 secs Computing kpt #: 137 total cpu time spent up to now is 383.7 secs Computing kpt #: 138 total cpu time spent up to now is 386.4 secs Computing kpt #: 139 total cpu time spent up to now is 389.0 secs Computing kpt #: 140 total cpu time spent up to now is 391.6 secs Computing kpt #: 141 total cpu time spent up to now is 394.3 secs Computing kpt #: 142 total cpu time spent up to now is 397.1 secs Computing kpt #: 143 total cpu time spent up to now is 399.8 secs Computing kpt #: 144 total cpu time spent up to now is 402.6 secs Computing kpt #: 145 total cpu time spent up to now is 405.4 secs Computing kpt #: 146 total cpu time spent up to now is 408.2 secs Computing kpt #: 147 total cpu time spent up to now is 410.9 secs Computing kpt #: 148 total cpu time spent up to now is 413.7 secs Computing kpt #: 149 total cpu time spent up to now is 417.1 secs Computing kpt #: 150 total cpu time spent up to now is 421.5 secs Computing kpt #: 151 total cpu time spent up to now is 424.5 secs Computing kpt #: 152 total cpu time spent up to now is 427.2 secs Computing kpt #: 153 total cpu time spent up to now is 430.1 secs Computing kpt #: 154 total cpu time spent up to now is 432.9 secs Computing kpt #: 155 total cpu time spent up to now is 435.6 secs Computing kpt #: 156 total cpu time spent up to now is 438.5 secs Computing kpt #: 157 total cpu time spent up to now is 441.3 secs Computing kpt #: 158 total cpu time spent up to now is 444.1 secs Computing kpt #: 159 total cpu time spent up to now is 446.9 secs Computing kpt #: 160 total cpu time spent up to now is 449.7 secs Computing kpt #: 161 total cpu time spent up to now is 452.6 secs Computing kpt #: 162 total cpu time spent up to now is 455.7 secs Computing kpt #: 163 total cpu time spent up to now is 458.5 secs Computing kpt #: 164 total cpu time spent up to now is 461.4 secs Computing kpt #: 165 total cpu time spent up to now is 464.3 secs Computing kpt #: 166 total cpu time spent up to now is 467.4 secs Computing kpt #: 167 total cpu time spent up to now is 470.4 secs Computing kpt #: 168 total cpu time spent up to now is 473.3 secs Computing kpt #: 169 total cpu time spent up to now is 476.3 secs Computing kpt #: 170 total cpu time spent up to now is 479.1 secs Computing kpt #: 171 total cpu time spent up to now is 481.9 secs Computing kpt #: 172 total cpu time spent up to now is 484.8 secs Computing kpt #: 173 total cpu time spent up to now is 487.7 secs Computing kpt #: 174 total cpu time spent up to now is 490.2 secs Computing kpt #: 175 total cpu time spent up to now is 493.0 secs Computing kpt #: 176 total cpu time spent up to now is 495.8 secs Computing kpt #: 177 total cpu time spent up to now is 498.6 secs Computing kpt #: 178 total cpu time spent up to now is 501.4 secs Computing kpt #: 179 total cpu time spent up to now is 504.2 secs Computing kpt #: 180 total cpu time spent up to now is 506.7 secs Computing kpt #: 181 total cpu time spent up to now is 509.2 secs Computing kpt #: 182 total cpu time spent up to now is 511.6 secs Computing kpt #: 183 total cpu time spent up to now is 514.0 secs Computing kpt #: 184 total cpu time spent up to now is 516.5 secs Computing kpt #: 185 total cpu time spent up to now is 519.0 secs Computing kpt #: 186 total cpu time spent up to now is 521.3 secs Computing kpt #: 187 total cpu time spent up to now is 523.7 secs Computing kpt #: 188 total cpu time spent up to now is 526.2 secs Computing kpt #: 189 total cpu time spent up to now is 528.6 secs Computing kpt #: 190 total cpu time spent up to now is 531.0 secs Computing kpt #: 191 total cpu time spent up to now is 533.4 secs Computing kpt #: 192 total cpu time spent up to now is 535.8 secs Computing kpt #: 193 total cpu time spent up to now is 538.2 secs Computing kpt #: 194 total cpu time spent up to now is 541.0 secs Computing kpt #: 195 total cpu time spent up to now is 543.8 secs Computing kpt #: 196 total cpu time spent up to now is 546.4 secs Computing kpt #: 197 total cpu time spent up to now is 549.3 secs Computing kpt #: 198 total cpu time spent up to now is 552.2 secs Computing kpt #: 199 total cpu time spent up to now is 555.0 secs Computing kpt #: 200 total cpu time spent up to now is 558.5 secs Computing kpt #: 201 total cpu time spent up to now is 561.4 secs Computing kpt #: 202 total cpu time spent up to now is 564.6 secs Computing kpt #: 203 total cpu time spent up to now is 567.4 secs Computing kpt #: 204 total cpu time spent up to now is 570.2 secs Computing kpt #: 205 total cpu time spent up to now is 572.7 secs Computing kpt #: 206 total cpu time spent up to now is 575.4 secs Computing kpt #: 207 total cpu time spent up to now is 578.0 secs Computing kpt #: 208 total cpu time spent up to now is 580.8 secs Computing kpt #: 209 total cpu time spent up to now is 583.4 secs Computing kpt #: 210 total cpu time spent up to now is 586.0 secs Computing kpt #: 211 total cpu time spent up to now is 588.5 secs Computing kpt #: 212 total cpu time spent up to now is 591.1 secs Computing kpt #: 213 total cpu time spent up to now is 593.7 secs Computing kpt #: 214 total cpu time spent up to now is 596.2 secs Computing kpt #: 215 total cpu time spent up to now is 598.7 secs Computing kpt #: 216 total cpu time spent up to now is 601.2 secs Computing kpt #: 217 total cpu time spent up to now is 603.8 secs Computing kpt #: 218 total cpu time spent up to now is 606.3 secs Computing kpt #: 219 total cpu time spent up to now is 608.7 secs Computing kpt #: 220 total cpu time spent up to now is 611.1 secs Computing kpt #: 221 total cpu time spent up to now is 613.5 secs Computing kpt #: 222 total cpu time spent up to now is 616.0 secs Computing kpt #: 223 total cpu time spent up to now is 618.4 secs Computing kpt #: 224 total cpu time spent up to now is 620.8 secs Computing kpt #: 225 total cpu time spent up to now is 623.2 secs Computing kpt #: 226 total cpu time spent up to now is 625.8 secs Computing kpt #: 227 total cpu time spent up to now is 628.1 secs Computing kpt #: 228 total cpu time spent up to now is 630.4 secs Computing kpt #: 229 total cpu time spent up to now is 632.6 secs Computing kpt #: 230 total cpu time spent up to now is 635.0 secs Computing kpt #: 231 total cpu time spent up to now is 637.4 secs Computing kpt #: 232 total cpu time spent up to now is 639.7 secs Computing kpt #: 233 total cpu time spent up to now is 641.9 secs Computing kpt #: 234 total cpu time spent up to now is 644.0 secs Computing kpt #: 235 total cpu time spent up to now is 646.4 secs Computing kpt #: 236 total cpu time spent up to now is 648.6 secs Computing kpt #: 237 total cpu time spent up to now is 650.8 secs Computing kpt #: 238 total cpu time spent up to now is 653.0 secs Computing kpt #: 239 total cpu time spent up to now is 655.3 secs Computing kpt #: 240 total cpu time spent up to now is 657.6 secs Computing kpt #: 241 total cpu time spent up to now is 659.8 secs Computing kpt #: 242 total cpu time spent up to now is 662.0 secs Computing kpt #: 243 total cpu time spent up to now is 664.3 secs Computing kpt #: 244 total cpu time spent up to now is 666.6 secs Computing kpt #: 245 total cpu time spent up to now is 668.7 secs Computing kpt #: 246 total cpu time spent up to now is 671.0 secs Computing kpt #: 247 total cpu time spent up to now is 673.2 secs Computing kpt #: 248 total cpu time spent up to now is 675.5 secs Computing kpt #: 249 total cpu time spent up to now is 677.8 secs Computing kpt #: 250 total cpu time spent up to now is 680.1 secs Computing kpt #: 251 total cpu time spent up to now is 682.5 secs Computing kpt #: 252 total cpu time spent up to now is 684.7 secs Computing kpt #: 253 total cpu time spent up to now is 686.8 secs Computing kpt #: 254 total cpu time spent up to now is 689.0 secs Computing kpt #: 255 total cpu time spent up to now is 691.2 secs Computing kpt #: 256 total cpu time spent up to now is 693.5 secs Computing kpt #: 257 total cpu time spent up to now is 695.8 secs Computing kpt #: 258 total cpu time spent up to now is 698.1 secs Computing kpt #: 259 total cpu time spent up to now is 700.4 secs Computing kpt #: 260 total cpu time spent up to now is 702.7 secs Computing kpt #: 261 total cpu time spent up to now is 705.1 secs Computing kpt #: 262 total cpu time spent up to now is 707.5 secs Computing kpt #: 263 total cpu time spent up to now is 709.9 secs Computing kpt #: 264 total cpu time spent up to now is 712.4 secs Computing kpt #: 265 total cpu time spent up to now is 714.8 secs Computing kpt #: 266 total cpu time spent up to now is 717.3 secs Computing kpt #: 267 total cpu time spent up to now is 721.3 secs Computing kpt #: 268 total cpu time spent up to now is 725.0 secs Computing kpt #: 269 total cpu time spent up to now is 727.5 secs Computing kpt #: 270 total cpu time spent up to now is 730.0 secs Computing kpt #: 271 total cpu time spent up to now is 732.6 secs Computing kpt #: 272 total cpu time spent up to now is 735.3 secs Computing kpt #: 273 total cpu time spent up to now is 737.9 secs Computing kpt #: 274 total cpu time spent up to now is 740.5 secs Computing kpt #: 275 total cpu time spent up to now is 743.1 secs Computing kpt #: 276 total cpu time spent up to now is 745.8 secs Computing kpt #: 277 total cpu time spent up to now is 748.7 secs Computing kpt #: 278 total cpu time spent up to now is 751.6 secs Computing kpt #: 279 total cpu time spent up to now is 754.4 secs Computing kpt #: 280 total cpu time spent up to now is 757.2 secs Computing kpt #: 281 total cpu time spent up to now is 760.1 secs Computing kpt #: 282 total cpu time spent up to now is 762.9 secs Computing kpt #: 283 total cpu time spent up to now is 765.6 secs Computing kpt #: 284 total cpu time spent up to now is 768.3 secs Computing kpt #: 285 total cpu time spent up to now is 770.9 secs Computing kpt #: 286 total cpu time spent up to now is 773.6 secs Computing kpt #: 287 total cpu time spent up to now is 776.2 secs Computing kpt #: 288 total cpu time spent up to now is 778.8 secs Computing kpt #: 289 total cpu time spent up to now is 781.5 secs Computing kpt #: 290 total cpu time spent up to now is 784.2 secs Computing kpt #: 291 total cpu time spent up to now is 786.9 secs Computing kpt #: 292 total cpu time spent up to now is 789.6 secs Computing kpt #: 293 total cpu time spent up to now is 792.3 secs Computing kpt #: 294 total cpu time spent up to now is 794.9 secs Computing kpt #: 295 total cpu time spent up to now is 797.6 secs Computing kpt #: 296 total cpu time spent up to now is 800.3 secs Computing kpt #: 297 total cpu time spent up to now is 803.0 secs Computing kpt #: 298 total cpu time spent up to now is 805.6 secs Computing kpt #: 299 total cpu time spent up to now is 808.4 secs Computing kpt #: 300 total cpu time spent up to now is 811.1 secs Computing kpt #: 301 total cpu time spent up to now is 813.8 secs Computing kpt #: 302 total cpu time spent up to now is 816.5 secs Computing kpt #: 303 total cpu time spent up to now is 819.2 secs Computing kpt #: 304 total cpu time spent up to now is 821.8 secs Computing kpt #: 305 total cpu time spent up to now is 824.4 secs Computing kpt #: 306 total cpu time spent up to now is 827.1 secs Computing kpt #: 307 total cpu time spent up to now is 829.7 secs Computing kpt #: 308 total cpu time spent up to now is 832.3 secs Computing kpt #: 309 total cpu time spent up to now is 834.9 secs Computing kpt #: 310 total cpu time spent up to now is 837.5 secs Computing kpt #: 311 total cpu time spent up to now is 840.1 secs Computing kpt #: 312 total cpu time spent up to now is 842.6 secs Computing kpt #: 313 total cpu time spent up to now is 845.1 secs Computing kpt #: 314 total cpu time spent up to now is 847.6 secs Computing kpt #: 315 total cpu time spent up to now is 850.1 secs Computing kpt #: 316 total cpu time spent up to now is 852.6 secs Computing kpt #: 317 total cpu time spent up to now is 855.1 secs Computing kpt #: 318 total cpu time spent up to now is 857.6 secs Computing kpt #: 319 total cpu time spent up to now is 860.0 secs Computing kpt #: 320 total cpu time spent up to now is 862.5 secs Computing kpt #: 321 total cpu time spent up to now is 864.8 secs Computing kpt #: 322 total cpu time spent up to now is 867.3 secs Computing kpt #: 323 total cpu time spent up to now is 869.9 secs Computing kpt #: 324 total cpu time spent up to now is 872.2 secs Computing kpt #: 325 total cpu time spent up to now is 874.4 secs Computing kpt #: 326 total cpu time spent up to now is 876.7 secs Computing kpt #: 327 total cpu time spent up to now is 879.0 secs Computing kpt #: 328 total cpu time spent up to now is 881.5 secs Computing kpt #: 329 total cpu time spent up to now is 883.8 secs Computing kpt #: 330 total cpu time spent up to now is 886.1 secs Computing kpt #: 331 total cpu time spent up to now is 888.3 secs Computing kpt #: 332 total cpu time spent up to now is 890.5 secs Computing kpt #: 333 total cpu time spent up to now is 892.8 secs Computing kpt #: 334 total cpu time spent up to now is 896.0 secs Computing kpt #: 335 total cpu time spent up to now is 898.2 secs ethr = 2.50E-11, avg # of iterations = 37.6 total cpu time spent up to now is 898.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9535 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8090 -17.8090 -14.3975 -14.3975 -14.1321 -14.1321 -13.4402 -13.4402 -4.7947 -4.7947 -2.2582 -2.2582 -2.2401 -2.2401 -1.8502 -1.8502 0.1118 0.1118 0.7404 0.7404 1.7819 1.7819 1.9719 1.9719 2.4155 2.4155 2.5002 2.5002 2.7675 2.7675 2.8088 2.8088 7.9042 7.9042 10.3205 10.3205 10.6750 10.6750 11.2071 11.2071 k = 0.0102 0.0099-0.0013 ( 9530 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8090 -17.8090 -14.3974 -14.3974 -14.1322 -14.1322 -13.4401 -13.4401 -4.7942 -4.7942 -2.2586 -2.2586 -2.2401 -2.2401 -1.8508 -1.8506 0.1121 0.1121 0.7405 0.7406 1.7810 1.7811 1.9707 1.9710 2.4160 2.4166 2.4999 2.5006 2.7673 2.7676 2.8088 2.8092 7.9064 7.9064 10.3219 10.3219 10.6768 10.6768 11.2059 11.2061 k = 0.0204 0.0197-0.0026 ( 9523 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8091 -17.8091 -14.3973 -14.3973 -14.1322 -14.1322 -13.4401 -13.4401 -4.7928 -4.7928 -2.2597 -2.2597 -2.2401 -2.2401 -1.8524 -1.8521 0.1131 0.1131 0.7408 0.7410 1.7783 1.7786 1.9674 1.9680 2.4181 2.4193 2.4998 2.5012 2.7671 2.7676 2.8091 2.8099 7.9129 7.9130 10.3259 10.3260 10.6821 10.6822 11.2026 11.2029 k = 0.0306 0.0296-0.0038 ( 9516 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7367 -39.7367 -39.7098 -39.7098 -17.8094 -17.8094 -14.3971 -14.3971 -14.1323 -14.1323 -13.4400 -13.4400 -4.7904 -4.7904 -2.2615 -2.2615 -2.2402 -2.2402 -1.8552 -1.8547 0.1146 0.1147 0.7413 0.7417 1.7739 1.7744 1.9621 1.9630 2.4217 2.4235 2.5000 2.5020 2.7668 2.7675 2.8098 2.8110 7.9237 7.9238 10.3327 10.3327 10.6911 10.6912 11.1971 11.1976 k = 0.0408 0.0395-0.0051 ( 9508 PWs) bands (ev): -40.7670 -40.7670 -40.7512 -40.7512 -39.7367 -39.7367 -39.7098 -39.7098 -17.8097 -17.8097 -14.3969 -14.3969 -14.1324 -14.1324 -13.4399 -13.4398 -4.7871 -4.7871 -2.2641 -2.2640 -2.2402 -2.2402 -1.8589 -1.8583 0.1168 0.1168 0.7421 0.7426 1.7679 1.7686 1.9547 1.9559 2.4268 2.4291 2.5004 2.5030 2.7664 2.7674 2.8109 2.8126 7.9385 7.9387 10.3421 10.3422 10.7035 10.7037 11.1899 11.1905 k = 0.0510 0.0493-0.0064 ( 9508 PWs) bands (ev): -40.7670 -40.7670 -40.7512 -40.7512 -39.7367 -39.7367 -39.7099 -39.7099 -17.8101 -17.8101 -14.3965 -14.3965 -14.1325 -14.1325 -13.4397 -13.4397 -4.7829 -4.7829 -2.2675 -2.2673 -2.2402 -2.2402 -1.8637 -1.8629 0.1196 0.1196 0.7431 0.7437 1.7604 1.7612 1.9453 1.9468 2.4332 2.4361 2.5011 2.5043 2.7660 2.7672 2.8124 2.8145 7.9573 7.9575 10.3542 10.3542 10.7195 10.7197 11.1810 11.1817 k = 0.0612 0.0592-0.0077 ( 9510 PWs) bands (ev): -40.7669 -40.7669 -40.7512 -40.7512 -39.7366 -39.7366 -39.7099 -39.7099 -17.8106 -17.8106 -14.3961 -14.3961 -14.1327 -14.1327 -13.4395 -13.4395 -4.7778 -4.7777 -2.2715 -2.2713 -2.2402 -2.2401 -1.8694 -1.8685 0.1230 0.1230 0.7444 0.7450 1.7514 1.7524 1.9340 1.9356 2.4409 2.4444 2.5023 2.5060 2.7656 2.7669 2.8143 2.8168 7.9798 7.9800 10.3688 10.3689 10.7390 10.7393 11.1709 11.1718 k = 0.0714 0.0691-0.0089 ( 9499 PWs) bands (ev): -40.7669 -40.7669 -40.7513 -40.7513 -39.7366 -39.7366 -39.7100 -39.7100 -17.8112 -17.8112 -14.3956 -14.3956 -14.1328 -14.1328 -13.4392 -13.4392 -4.7718 -4.7717 -2.2763 -2.2760 -2.2402 -2.2401 -1.8761 -1.8750 0.1269 0.1270 0.7458 0.7466 1.7412 1.7423 1.9208 1.9226 2.4497 2.4537 2.5039 2.5081 2.7651 2.7666 2.8166 2.8196 8.0056 8.0058 10.3859 10.3860 10.7619 10.7622 11.1600 11.1610 k = 0.0816 0.0789-0.0102 ( 9501 PWs) bands (ev): -40.7668 -40.7668 -40.7514 -40.7514 -39.7365 -39.7365 -39.7101 -39.7101 -17.8119 -17.8119 -14.3950 -14.3950 -14.1330 -14.1330 -13.4390 -13.4390 -4.7650 -4.7649 -2.2817 -2.2813 -2.2401 -2.2400 -1.8837 -1.8824 0.1315 0.1316 0.7474 0.7483 1.7297 1.7310 1.9057 1.9077 2.4594 2.4641 2.5060 2.5107 2.7646 2.7662 2.8194 2.8228 8.0344 8.0346 10.4055 10.4056 10.7881 10.7885 11.1486 11.1497 k = 0.0918 0.0888-0.0115 ( 9500 PWs) bands (ev): -40.7667 -40.7667 -40.7514 -40.7514 -39.7364 -39.7364 -39.7101 -39.7101 -17.8126 -17.8126 -14.3944 -14.3944 -14.1332 -14.1332 -13.4387 -13.4387 -4.7573 -4.7573 -2.2878 -2.2874 -2.2401 -2.2400 -1.8921 -1.8907 0.1366 0.1368 0.7492 0.7502 1.7172 1.7185 1.8890 1.8911 2.4699 2.4753 2.5087 2.5138 2.7641 2.7658 2.8226 2.8264 8.0657 8.0659 10.4274 10.4275 10.8177 10.8180 11.1374 11.1385 k = 0.1020 0.0987-0.0128 ( 9498 PWs) bands (ev): -40.7666 -40.7666 -40.7515 -40.7515 -39.7363 -39.7363 -39.7102 -39.7102 -17.8134 -17.8134 -14.3937 -14.3937 -14.1334 -14.1334 -13.4384 -13.4384 -4.7489 -4.7489 -2.2946 -2.2940 -2.2400 -2.2399 -1.9014 -1.8998 0.1423 0.1425 0.7511 0.7522 1.7037 1.7051 1.8707 1.8729 2.4812 2.4872 2.5120 2.5174 2.7636 2.7654 2.8262 2.8306 8.0992 8.0994 10.4515 10.4516 10.8504 10.8508 11.1267 11.1279 k = 0.1122 0.1085-0.0140 ( 9505 PWs) bands (ev): -40.7665 -40.7665 -40.7516 -40.7516 -39.7362 -39.7362 -39.7103 -39.7103 -17.8143 -17.8143 -14.3930 -14.3930 -14.1337 -14.1336 -13.4380 -13.4380 -4.7398 -4.7398 -2.3020 -2.3013 -2.2400 -2.2398 -1.9114 -1.9096 0.1486 0.1487 0.7532 0.7543 1.6893 1.6908 1.8509 1.8532 2.4929 2.4996 2.5159 2.5218 2.7633 2.7650 2.8304 2.8352 8.1344 8.1346 10.4776 10.4778 10.8863 10.8867 11.1172 11.1184 k = 0.1224 0.1184-0.0153 ( 9498 PWs) bands (ev): -40.7664 -40.7664 -40.7517 -40.7517 -39.7361 -39.7361 -39.7104 -39.7104 -17.8153 -17.8153 -14.3922 -14.3922 -14.1339 -14.1339 -13.4377 -13.4376 -4.7301 -4.7300 -2.3099 -2.3092 -2.2399 -2.2397 -1.9220 -1.9201 0.1553 0.1555 0.7554 0.7566 1.6741 1.6757 1.8299 1.8321 2.5049 2.5124 2.5206 2.5269 2.7630 2.7648 2.8351 2.8404 8.1707 8.1709 10.5057 10.5059 10.9251 10.9257 11.1093 11.1106 k = 0.1327 0.1283-0.0166 ( 9494 PWs) bands (ev): -40.7663 -40.7663 -40.7518 -40.7518 -39.7360 -39.7360 -39.7105 -39.7105 -17.8164 -17.8164 -14.3913 -14.3913 -14.1341 -14.1341 -13.4373 -13.4373 -4.7196 -4.7196 -2.3185 -2.3176 -2.2398 -2.2395 -1.9333 -1.9312 0.1626 0.1628 0.7576 0.7588 1.6582 1.6598 1.8077 1.8100 2.5169 2.5238 2.5276 2.5330 2.7628 2.7646 2.8403 2.8461 8.2076 8.2078 10.5356 10.5359 10.9669 10.9675 11.1038 11.1051 k = 0.1429 0.1381-0.0179 ( 9495 PWs) bands (ev): -40.7662 -40.7662 -40.7519 -40.7519 -39.7359 -39.7359 -39.7106 -39.7106 -17.8175 -17.8175 -14.3904 -14.3904 -14.1343 -14.1343 -13.4369 -13.4369 -4.7087 -4.7086 -2.3275 -2.3266 -2.2397 -2.2394 -1.9451 -1.9429 0.1703 0.1705 0.7599 0.7612 1.6417 1.6434 1.7845 1.7868 2.5280 2.5304 2.5403 2.5406 2.7629 2.7647 2.8460 2.8524 8.2445 8.2446 10.5672 10.5674 11.0115 11.0121 11.1011 11.1024 k = 0.1531 0.1480-0.0191 ( 9494 PWs) bands (ev): -40.7661 -40.7661 -40.7520 -40.7520 -39.7358 -39.7357 -39.7107 -39.7107 -17.8186 -17.8186 -14.3894 -14.3894 -14.1345 -14.1345 -13.4365 -13.4365 -4.6972 -4.6971 -2.3371 -2.3360 -2.2396 -2.2393 -1.9574 -1.9550 0.1786 0.1788 0.7621 0.7635 1.6247 1.6264 1.7606 1.7628 2.5366 2.5375 2.5506 2.5541 2.7632 2.7649 2.8523 2.8592 8.2809 8.2809 10.6001 10.6004 11.0587 11.0593 11.1019 11.1032 k = 0.1633 0.1579-0.0204 ( 9492 PWs) bands (ev): -40.7660 -40.7660 -40.7521 -40.7521 -39.7356 -39.7356 -39.7108 -39.7108 -17.8198 -17.8198 -14.3884 -14.3884 -14.1347 -14.1347 -13.4361 -13.4361 -4.6852 -4.6851 -2.3472 -2.3460 -2.2394 -2.2391 -1.9701 -1.9675 0.1872 0.1874 0.7644 0.7658 1.6072 1.6090 1.7360 1.7383 2.5432 2.5456 2.5625 2.5680 2.7638 2.7655 2.8592 2.8665 8.3160 8.3161 10.6343 10.6347 11.1057 11.1078 11.1092 11.1093 k = 0.1735 0.1677-0.0217 ( 9490 PWs) bands (ev): -40.7658 -40.7658 -40.7523 -40.7523 -39.7355 -39.7355 -39.7109 -39.7109 -17.8211 -17.8211 -14.3873 -14.3873 -14.1349 -14.1349 -13.4357 -13.4357 -4.6729 -4.6728 -2.3576 -2.3563 -2.2393 -2.2390 -1.9831 -1.9804 0.1963 0.1965 0.7666 0.7680 1.5894 1.5911 1.7110 1.7132 2.5501 2.5533 2.5753 2.5820 2.7647 2.7663 2.8666 2.8743 8.3494 8.3495 10.6697 10.6701 11.1158 11.1171 11.1606 11.1612 k = 0.1837 0.1776-0.0230 ( 9490 PWs) bands (ev): -40.7657 -40.7657 -40.7524 -40.7524 -39.7354 -39.7354 -39.7111 -39.7111 -17.8224 -17.8224 -14.3862 -14.3862 -14.1351 -14.1351 -13.4353 -13.4353 -4.6602 -4.6601 -2.3685 -2.3671 -2.2391 -2.2388 -1.9963 -1.9934 0.2058 0.2060 0.7688 0.7702 1.5711 1.5729 1.6857 1.6879 2.5573 2.5609 2.5885 2.5961 2.7660 2.7676 2.8745 2.8827 8.3806 8.3808 10.7060 10.7065 11.1300 11.1311 11.2149 11.2155 k = 0.1939 0.1875-0.0242 ( 9496 PWs) bands (ev): -40.7655 -40.7655 -40.7525 -40.7525 -39.7352 -39.7352 -39.7112 -39.7112 -17.8238 -17.8238 -14.3851 -14.3851 -14.1352 -14.1352 -13.4349 -13.4349 -4.6472 -4.6471 -2.3797 -2.3782 -2.2390 -2.2386 -2.0096 -2.0066 0.2156 0.2159 0.7708 0.7723 1.5526 1.5544 1.6603 1.6624 2.5648 2.5686 2.6018 2.6100 2.7678 2.7693 2.8830 2.8916 8.4089 8.4092 10.7433 10.7438 11.1493 11.1503 11.2711 11.2718 k = 0.2041 0.1973-0.0255 ( 9492 PWs) bands (ev): -40.7654 -40.7654 -40.7527 -40.7527 -39.7351 -39.7351 -39.7113 -39.7113 -17.8252 -17.8252 -14.3840 -14.3840 -14.1354 -14.1354 -13.4345 -13.4345 -4.6340 -4.6339 -2.3913 -2.3896 -2.2388 -2.2384 -2.0231 -2.0199 0.2259 0.2261 0.7727 0.7741 1.5338 1.5356 1.6349 1.6369 2.5726 2.5765 2.6152 2.6239 2.7701 2.7715 2.8919 2.9009 8.4340 8.4344 10.7816 10.7821 11.1739 11.1749 11.3292 11.3299 k = 0.2143 0.2072-0.0268 ( 9494 PWs) bands (ev): -40.7652 -40.7652 -40.7528 -40.7528 -39.7349 -39.7349 -39.7115 -39.7115 -17.8266 -17.8266 -14.3828 -14.3828 -14.1355 -14.1355 -13.4341 -13.4341 -4.6207 -4.6206 -2.4031 -2.4014 -2.2386 -2.2382 -2.0365 -2.0332 0.2364 0.2367 0.7744 0.7759 1.5148 1.5166 1.6097 1.6116 2.5805 2.5844 2.6285 2.6377 2.7729 2.7741 2.9012 2.9106 8.4556 8.4561 10.8209 10.8214 11.2038 11.2047 11.3889 11.3896 k = 0.2245 0.2171-0.0281 ( 9504 PWs) bands (ev): -40.7651 -40.7651 -40.7529 -40.7529 -39.7348 -39.7348 -39.7116 -39.7116 -17.8281 -17.8281 -14.3816 -14.3816 -14.1355 -14.1355 -13.4337 -13.4337 -4.6073 -4.6072 -2.4152 -2.4134 -2.2384 -2.2381 -2.0498 -2.0464 0.2472 0.2475 0.7759 0.7774 1.4957 1.4975 1.5848 1.5866 2.5884 2.5924 2.6417 2.6513 2.7763 2.7774 2.9110 2.9206 8.4733 8.4739 10.8613 10.8619 11.2389 11.2397 11.4499 11.4507 k = 0.2347 0.2269-0.0293 ( 9504 PWs) bands (ev): -40.7650 -40.7650 -40.7531 -40.7531 -39.7346 -39.7346 -39.7117 -39.7117 -17.8295 -17.8295 -14.3804 -14.3804 -14.1356 -14.1356 -13.4334 -13.4333 -4.5939 -4.5938 -2.4275 -2.4256 -2.2382 -2.2379 -2.0629 -2.0594 0.2583 0.2586 0.7772 0.7786 1.4765 1.4782 1.5602 1.5620 2.5964 2.6004 2.6548 2.6647 2.7802 2.7812 2.9211 2.9310 8.4870 8.4877 10.9031 10.9037 11.2787 11.2795 11.5120 11.5128 k = 0.2449 0.2368-0.0306 ( 9512 PWs) bands (ev): -40.7648 -40.7648 -40.7532 -40.7532 -39.7345 -39.7345 -39.7119 -39.7119 -17.8310 -17.8310 -14.3792 -14.3792 -14.1356 -14.1356 -13.4330 -13.4330 -4.5805 -4.5804 -2.4400 -2.4379 -2.2380 -2.2376 -2.0758 -2.0723 0.2696 0.2700 0.7782 0.7797 1.4571 1.4589 1.5362 1.5380 2.6044 2.6083 2.6678 2.6780 2.7848 2.7857 2.9315 2.9416 8.4965 8.4974 10.9463 10.9468 11.3231 11.3238 11.5750 11.5758 k = 0.2551 0.2467-0.0319 ( 9512 PWs) bands (ev): -40.7647 -40.7646 -40.7534 -40.7534 -39.7343 -39.7343 -39.7120 -39.7120 -17.8325 -17.8325 -14.3780 -14.3780 -14.1356 -14.1356 -13.4327 -13.4327 -4.5673 -4.5672 -2.4525 -2.4504 -2.2378 -2.2374 -2.0884 -2.0848 0.2812 0.2816 0.7790 0.7804 1.4378 1.4395 1.5129 1.5145 2.6124 2.6162 2.6807 2.6911 2.7900 2.7908 2.9421 2.9523 8.5020 8.5029 10.9909 10.9913 11.3714 11.3721 11.6385 11.6394 k = 0.2653 0.2565-0.0332 ( 9517 PWs) bands (ev): -40.7645 -40.7645 -40.7535 -40.7535 -39.7342 -39.7342 -39.7122 -39.7122 -17.8340 -17.8340 -14.3768 -14.3768 -14.1356 -14.1355 -13.4324 -13.4324 -4.5542 -4.5541 -2.4651 -2.4630 -2.2376 -2.2372 -2.1006 -2.0970 0.2929 0.2933 0.7795 0.7809 1.4185 1.4202 1.4902 1.4918 2.6202 2.6240 2.6935 2.7040 2.7958 2.7965 2.9528 2.9632 8.5034 8.5045 11.0368 11.0372 11.4233 11.4240 11.7023 11.7031 k = 0.2755 0.2664-0.0344 ( 9521 PWs) bands (ev): -40.7644 -40.7644 -40.7537 -40.7537 -39.7340 -39.7340 -39.7123 -39.7123 -17.8354 -17.8354 -14.3756 -14.3756 -14.1355 -14.1355 -13.4321 -13.4321 -4.5413 -4.5412 -2.4777 -2.4755 -2.2374 -2.2370 -2.1125 -2.1088 0.3048 0.3052 0.7797 0.7811 1.3992 1.4009 1.4683 1.4698 2.6279 2.6316 2.7061 2.7167 2.8022 2.8028 2.9636 2.9740 8.5011 8.5023 11.0840 11.0843 11.4784 11.4791 11.7659 11.7668 k = 0.2857 0.2763-0.0357 ( 9520 PWs) bands (ev): -40.7642 -40.7642 -40.7538 -40.7538 -39.7339 -39.7339 -39.7124 -39.7124 -17.8369 -17.8369 -14.3744 -14.3744 -14.1354 -14.1354 -13.4318 -13.4318 -4.5287 -4.5286 -2.4903 -2.4881 -2.2372 -2.2368 -2.1238 -2.1201 0.3168 0.3172 0.7797 0.7809 1.3800 1.3817 1.4472 1.4487 2.6354 2.6390 2.7186 2.7293 2.8092 2.8096 2.9744 2.9848 8.4952 8.4965 11.1320 11.1322 11.5362 11.5369 11.8292 11.8300 k = 0.2959 0.2861-0.0370 ( 9520 PWs) bands (ev): -40.7641 -40.7641 -40.7539 -40.7539 -39.7337 -39.7337 -39.7126 -39.7126 -17.8384 -17.8384 -14.3733 -14.3733 -14.1352 -14.1352 -13.4316 -13.4315 -4.5164 -4.5163 -2.5028 -2.5006 -2.2369 -2.2366 -2.1347 -2.1310 0.3289 0.3293 0.7793 0.7805 1.3610 1.3626 1.4271 1.4285 2.6426 2.6461 2.7309 2.7416 2.8168 2.8171 2.9851 2.9955 8.4861 8.4875 11.1806 11.1806 11.5963 11.5971 11.8916 11.8924 k = 0.3061 0.2960-0.0383 ( 9515 PWs) bands (ev): -40.7639 -40.7639 -40.7541 -40.7541 -39.7336 -39.7336 -39.7127 -39.7127 -17.8398 -17.8398 -14.3721 -14.3721 -14.1351 -14.1351 -13.4313 -13.4313 -4.5045 -4.5044 -2.5151 -2.5129 -2.2367 -2.2364 -2.1450 -2.1413 0.3410 0.3415 0.7786 0.7798 1.3422 1.3438 1.4078 1.4092 2.6496 2.6530 2.7430 2.7537 2.8249 2.8250 2.9957 3.0060 8.4742 8.4756 11.2292 11.2292 11.6582 11.6590 11.9527 11.9536 k = 0.3163 0.3059-0.0395 ( 9517 PWs) bands (ev): -40.7638 -40.7638 -40.7542 -40.7542 -39.7334 -39.7334 -39.7128 -39.7128 -17.8412 -17.8412 -14.3710 -14.3710 -14.1349 -14.1349 -13.4311 -13.4311 -4.4930 -4.4929 -2.5272 -2.5250 -2.2365 -2.2362 -2.1547 -2.1511 0.3532 0.3536 0.7777 0.7788 1.3236 1.3252 1.3896 1.3909 2.6564 2.6596 2.7550 2.7656 2.8334 2.8334 3.0061 3.0163 8.4597 8.4611 11.2773 11.2774 11.7216 11.7223 12.0123 12.0132 k = 0.3265 0.3157-0.0408 ( 9517 PWs) bands (ev): -40.7636 -40.7636 -40.7543 -40.7543 -39.7333 -39.7333 -39.7130 -39.7130 -17.8425 -17.8425 -14.3699 -14.3699 -14.1347 -14.1347 -13.4309 -13.4309 -4.4820 -4.4819 -2.5391 -2.5369 -2.2363 -2.2360 -2.1638 -2.1603 0.3653 0.3657 0.7764 0.7775 1.3054 1.3069 1.3724 1.3737 2.6628 2.6659 2.7668 2.7772 2.8422 2.8423 3.0162 3.0262 8.4432 8.4446 11.3245 11.3247 11.7857 11.7865 12.0698 12.0706 k = 0.3367 0.3256-0.0421 ( 9520 PWs) bands (ev): -40.7635 -40.7635 -40.7545 -40.7545 -39.7332 -39.7332 -39.7131 -39.7131 -17.8438 -17.8438 -14.3689 -14.3689 -14.1345 -14.1345 -13.4307 -13.4307 -4.4714 -4.4714 -2.5506 -2.5485 -2.2361 -2.2358 -2.1724 -2.1690 0.3773 0.3777 0.7750 0.7760 1.2875 1.2890 1.3563 1.3574 2.6690 2.6719 2.7783 2.7885 2.8513 2.8514 3.0259 3.0357 8.4249 8.4264 11.3702 11.3704 11.8503 11.8511 12.1247 12.1256 k = 0.3469 0.3355-0.0434 ( 9517 PWs) bands (ev): -40.7634 -40.7634 -40.7546 -40.7546 -39.7330 -39.7330 -39.7132 -39.7132 -17.8451 -17.8451 -14.3679 -14.3679 -14.1343 -14.1343 -13.4306 -13.4306 -4.4614 -4.4614 -2.5617 -2.5597 -2.2359 -2.2356 -2.1804 -2.1770 0.3891 0.3896 0.7733 0.7743 1.2700 1.2715 1.3411 1.3423 2.6748 2.6776 2.7895 2.7994 2.8606 2.8608 3.0353 3.0448 8.4054 8.4069 11.4139 11.4142 11.9146 11.9154 12.1769 12.1777 k = 0.3571 0.3453-0.0446 ( 9513 PWs) bands (ev): -40.7633 -40.7633 -40.7547 -40.7547 -39.7329 -39.7329 -39.7133 -39.7133 -17.8463 -17.8463 -14.3669 -14.3669 -14.1341 -14.1340 -13.4305 -13.4304 -4.4520 -4.4519 -2.5724 -2.5704 -2.2357 -2.2355 -2.1877 -2.1845 0.4008 0.4013 0.7715 0.7724 1.2531 1.2544 1.3271 1.3282 2.6802 2.6829 2.8004 2.8100 2.8701 2.8703 3.0442 3.0535 8.3851 8.3866 11.4551 11.4554 11.9781 11.9789 12.2257 12.2265 k = 0.3673 0.3552-0.0459 ( 9514 PWs) bands (ev): -40.7631 -40.7631 -40.7548 -40.7548 -39.7328 -39.7328 -39.7134 -39.7134 -17.8474 -17.8474 -14.3660 -14.3660 -14.1338 -14.1338 -13.4303 -13.4303 -4.4431 -4.4430 -2.5826 -2.5808 -2.2355 -2.2353 -2.1944 -2.1914 0.4122 0.4127 0.7695 0.7704 1.2366 1.2380 1.3141 1.3151 2.6853 2.6878 2.8110 2.8202 2.8795 2.8798 3.0527 3.0616 8.3642 8.3657 11.4933 11.4936 12.0400 12.0407 12.2709 12.2717 k = 0.3776 0.3651-0.0472 ( 9522 PWs) bands (ev): -40.7630 -40.7630 -40.7549 -40.7549 -39.7327 -39.7327 -39.7135 -39.7135 -17.8485 -17.8485 -14.3651 -14.3651 -14.1336 -14.1336 -13.4302 -13.4302 -4.4348 -4.4348 -2.5923 -2.5905 -2.2353 -2.2352 -2.2006 -2.1976 0.4233 0.4238 0.7674 0.7682 1.2209 1.2221 1.3022 1.3032 2.6901 2.6924 2.8211 2.8299 2.8889 2.8892 3.0607 3.0691 8.3432 8.3446 11.5282 11.5285 12.0996 12.1003 12.3122 12.3130 k = 0.3878 0.3749-0.0485 ( 9526 PWs) bands (ev): -40.7629 -40.7629 -40.7550 -40.7550 -39.7326 -39.7326 -39.7136 -39.7136 -17.8496 -17.8496 -14.3643 -14.3643 -14.1333 -14.1333 -13.4302 -13.4301 -4.4271 -4.4271 -2.6014 -2.5997 -2.2352 -2.2351 -2.2061 -2.2034 0.4340 0.4345 0.7653 0.7660 1.2058 1.2070 1.2913 1.2922 2.6945 2.6966 2.8308 2.8391 2.8981 2.8984 3.0681 3.0761 8.3225 8.3239 11.5594 11.5597 12.1562 12.1568 12.3495 12.3502 k = 0.3980 0.3848-0.0497 ( 9522 PWs) bands (ev): -40.7628 -40.7628 -40.7551 -40.7551 -39.7325 -39.7325 -39.7137 -39.7137 -17.8505 -17.8505 -14.3636 -14.3636 -14.1331 -14.1331 -13.4301 -13.4301 -4.4201 -4.4201 -2.6099 -2.6083 -2.2350 -2.2350 -2.2111 -2.2085 0.4443 0.4447 0.7631 0.7638 1.1916 1.1927 1.2815 1.2824 2.6985 2.7004 2.8399 2.8477 2.9069 2.9073 3.0750 3.0824 8.3024 8.3036 11.5869 11.5872 12.2090 12.2095 12.3825 12.3832 k = 0.4082 0.3947-0.0510 ( 9513 PWs) bands (ev): -40.7627 -40.7627 -40.7552 -40.7552 -39.7324 -39.7324 -39.7138 -39.7138 -17.8514 -17.8514 -14.3629 -14.3629 -14.1329 -14.1329 -13.4300 -13.4300 -4.4137 -4.4137 -2.6176 -2.6162 -2.2349 -2.2349 -2.2155 -2.2131 0.4540 0.4544 0.7610 0.7616 1.1783 1.1793 1.2727 1.2735 2.7021 2.7039 2.8485 2.8557 2.9154 2.9158 3.0812 3.0882 8.2831 8.2843 11.6107 11.6109 12.2575 12.2579 12.4114 12.4121 k = 0.4184 0.4045-0.0523 ( 9513 PWs) bands (ev): -40.7627 -40.7627 -40.7552 -40.7552 -39.7323 -39.7323 -39.7138 -39.7138 -17.8522 -17.8522 -14.3622 -14.3622 -14.1327 -14.1327 -13.4300 -13.4300 -4.4080 -4.4080 -2.6247 -2.6234 -2.2349 -2.2349 -2.2193 -2.2171 0.4630 0.4634 0.7590 0.7595 1.1660 1.1669 1.2649 1.2656 2.7054 2.7070 2.8564 2.8630 2.9233 2.9237 3.0869 3.0933 8.2651 8.2662 11.6308 11.6309 12.3012 12.3016 12.4363 12.4368 k = 0.4286 0.4144-0.0536 ( 9513 PWs) bands (ev): -40.7626 -40.7626 -40.7553 -40.7553 -39.7322 -39.7322 -39.7139 -39.7139 -17.8529 -17.8529 -14.3617 -14.3617 -14.1325 -14.1325 -13.4299 -13.4299 -4.4030 -4.4029 -2.6310 -2.6298 -2.2350 -2.2349 -2.2225 -2.2205 0.4713 0.4716 0.7571 0.7576 1.1548 1.1557 1.2581 1.2587 2.7083 2.7097 2.8636 2.8695 2.9306 2.9309 3.0920 3.0977 8.2485 8.2495 11.6474 11.6476 12.3399 12.3402 12.4572 12.4577 k = 0.4388 0.4243-0.0549 ( 9519 PWs) bands (ev): -40.7625 -40.7625 -40.7554 -40.7554 -39.7322 -39.7322 -39.7140 -39.7140 -17.8535 -17.8535 -14.3612 -14.3612 -14.1323 -14.1323 -13.4299 -13.4299 -4.3986 -4.3986 -2.6365 -2.6355 -2.2351 -2.2350 -2.2252 -2.2234 0.4787 0.4791 0.7554 0.7558 1.1448 1.1456 1.2523 1.2528 2.7108 2.7120 2.8701 2.8752 2.9371 2.9374 3.0965 3.1014 8.2337 8.2345 11.6609 11.6610 12.3735 12.3737 12.4745 12.4749 k = 0.4490 0.4341-0.0561 ( 9519 PWs) bands (ev): -40.7625 -40.7625 -40.7554 -40.7554 -39.7321 -39.7321 -39.7140 -39.7140 -17.8540 -17.8540 -14.3608 -14.3608 -14.1321 -14.1321 -13.4299 -13.4299 -4.3949 -4.3948 -2.6412 -2.6403 -2.2353 -2.2352 -2.2273 -2.2258 0.4852 0.4855 0.7538 0.7542 1.1362 1.1368 1.2474 1.2478 2.7129 2.7139 2.8757 2.8801 2.9428 2.9431 3.1003 3.1046 8.2207 8.2214 11.6716 11.6717 12.4020 12.4021 12.4884 12.4888 k = 0.4592 0.4440-0.0574 ( 9515 PWs) bands (ev): -40.7624 -40.7624 -40.7554 -40.7554 -39.7321 -39.7321 -39.7140 -39.7140 -17.8544 -17.8544 -14.3604 -14.3604 -14.1320 -14.1320 -13.4298 -13.4298 -4.3918 -4.3918 -2.6450 -2.6444 -2.2356 -2.2355 -2.2288 -2.2276 0.4907 0.4910 0.7525 0.7528 1.1290 1.1295 1.2434 1.2437 2.7147 2.7155 2.8805 2.8840 2.9476 2.9478 3.1036 3.1070 8.2099 8.2105 11.6798 11.6799 12.4254 12.4255 12.4993 12.4996 k = 0.4694 0.4539-0.0587 ( 9514 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8548 -17.8548 -14.3602 -14.3602 -14.1319 -14.1319 -13.4298 -13.4298 -4.3894 -4.3894 -2.6480 -2.6475 -2.2359 -2.2359 -2.2298 -2.2289 0.4951 0.4953 0.7515 0.7517 1.1232 1.1237 1.2403 1.2406 2.7161 2.7167 2.8844 2.8870 2.9514 2.9516 3.1062 3.1088 8.2013 8.2018 11.6858 11.6859 12.4436 12.4437 12.5074 12.5077 k = 0.4796 0.4637-0.0600 ( 9511 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8550 -17.8550 -14.3600 -14.3600 -14.1318 -14.1318 -13.4298 -13.4298 -4.3877 -4.3877 -2.6502 -2.6498 -2.2363 -2.2363 -2.2303 -2.2298 0.4983 0.4984 0.7508 0.7509 1.1191 1.1194 1.2381 1.2383 2.7171 2.7175 2.8873 2.8891 2.9542 2.9543 3.1082 3.1100 8.1951 8.1954 11.6900 11.6900 12.4567 12.4567 12.5131 12.5132 k = 0.4898 0.4736-0.0612 ( 9509 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8552 -17.8552 -14.3599 -14.3599 -14.1318 -14.1318 -13.4298 -13.4298 -4.3867 -4.3867 -2.6514 -2.6512 -2.2365 -2.2365 -2.2306 -2.2303 0.5002 0.5003 0.7503 0.7504 1.1167 1.1168 1.2369 1.2369 2.7178 2.7180 2.8892 2.8901 2.9559 2.9559 3.1096 3.1105 8.1914 8.1916 11.6924 11.6924 12.4646 12.4646 12.5164 12.5165 k = 0.5000 0.4835-0.0625 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8552 -17.8552 -14.3598 -14.3598 -14.1318 -14.1318 -13.4298 -13.4298 -4.3864 -4.3864 -2.6518 -2.6518 -2.2366 -2.2366 -2.2305 -2.2305 0.5009 0.5009 0.7502 0.7502 1.1159 1.1159 1.2365 1.2365 2.7181 2.7181 2.8902 2.8902 2.9565 2.9565 3.1103 3.1103 8.1902 8.1902 11.6932 11.6932 12.4672 12.4672 12.5175 12.5175 k = 0.5000 0.4835-0.0625 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8552 -17.8552 -14.3598 -14.3598 -14.1318 -14.1318 -13.4298 -13.4298 -4.3864 -4.3864 -2.6518 -2.6518 -2.2366 -2.2366 -2.2305 -2.2305 0.5009 0.5009 0.7502 0.7502 1.1159 1.1159 1.2365 1.2365 2.7181 2.7181 2.8902 2.8902 2.9565 2.9565 3.1103 3.1103 8.1902 8.1902 11.6932 11.6932 12.4672 12.4672 12.5175 12.5175 k = 0.5009 0.4843-0.0482 ( 9515 PWs) bands (ev): -40.7623 -40.7623 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8550 -17.8550 -14.3598 -14.3598 -14.1318 -14.1318 -13.4302 -13.4302 -4.3865 -4.3865 -2.6516 -2.6515 -2.2374 -2.2374 -2.2314 -2.2312 0.5012 0.5012 0.7507 0.7508 1.1161 1.1162 1.2369 1.2371 2.7173 2.7175 2.8903 2.8906 2.9570 2.9572 3.1100 3.1101 8.1903 8.1904 11.6922 11.6924 12.4664 12.4667 12.5177 12.5177 k = 0.5019 0.4852-0.0338 ( 9509 PWs) bands (ev): -40.7623 -40.7623 -40.7554 -40.7554 -39.7321 -39.7321 -39.7142 -39.7142 -17.8543 -17.8543 -14.3596 -14.3596 -14.1318 -14.1318 -13.4314 -13.4314 -4.3870 -4.3869 -2.6509 -2.6507 -2.2398 -2.2397 -2.2338 -2.2335 0.5021 0.5022 0.7522 0.7525 1.1169 1.1169 1.2383 1.2387 2.7150 2.7154 2.8910 2.8915 2.9586 2.9590 3.1091 3.1094 8.1907 8.1907 11.6895 11.6900 12.4642 12.4648 12.5183 12.5183 k = 0.5028 0.4861-0.0195 ( 9509 PWs) bands (ev): -40.7622 -40.7622 -40.7554 -40.7554 -39.7321 -39.7321 -39.7143 -39.7143 -17.8532 -17.8532 -14.3594 -14.3594 -14.1318 -14.1318 -13.4334 -13.4334 -4.3877 -4.3876 -2.6497 -2.6494 -2.2436 -2.2435 -2.2377 -2.2372 0.5037 0.5038 0.7548 0.7553 1.1181 1.1182 1.2407 1.2414 2.7114 2.7119 2.8922 2.8929 2.9615 2.9620 3.1077 3.1081 8.1913 8.1913 11.6850 11.6858 12.4602 12.4611 12.5192 12.5193 k = 0.5037 0.4870-0.0052 ( 9506 PWs) bands (ev): -40.7621 -40.7621 -40.7552 -40.7552 -39.7323 -39.7323 -39.7144 -39.7144 -17.8516 -17.8516 -14.3591 -14.3591 -14.1318 -14.1318 -13.4362 -13.4362 -4.3887 -4.3886 -2.6481 -2.6476 -2.2490 -2.2488 -2.2430 -2.2425 0.5059 0.5061 0.7584 0.7591 1.1199 1.1199 1.2442 1.2450 2.7063 2.7069 2.8937 2.8946 2.9655 2.9662 3.1058 3.1065 8.1921 8.1922 11.6787 11.6798 12.4537 12.4549 12.5204 12.5206 k = 0.5046 0.4879 0.0092 ( 9505 PWs) bands (ev): -40.7620 -40.7620 -40.7551 -40.7551 -39.7324 -39.7324 -39.7146 -39.7146 -17.8496 -17.8496 -14.3586 -14.3586 -14.1318 -14.1318 -13.4397 -13.4397 -4.3899 -4.3898 -2.6460 -2.6454 -2.2558 -2.2557 -2.2497 -2.2491 0.5088 0.5089 0.7631 0.7640 1.1221 1.1222 1.2486 1.2496 2.6999 2.7006 2.8956 2.8967 2.9707 2.9715 3.1037 3.1045 8.1932 8.1933 11.6705 11.6719 12.4439 12.4455 12.5219 12.5220 k = 0.5056 0.4888 0.0235 ( 9500 PWs) bands (ev): -40.7618 -40.7618 -40.7549 -40.7549 -39.7326 -39.7326 -39.7147 -39.7147 -17.8471 -17.8471 -14.3581 -14.3581 -14.1318 -14.1318 -13.4440 -13.4440 -4.3914 -4.3913 -2.6436 -2.6428 -2.2641 -2.2640 -2.2578 -2.2571 0.5122 0.5124 0.7688 0.7698 1.1247 1.1248 1.2539 1.2551 2.6922 2.6929 2.8975 2.8988 2.9770 2.9779 3.1015 3.1025 8.1946 8.1947 11.6604 11.6619 12.4297 12.4316 12.5234 12.5236 k = 0.5065 0.4897 0.0379 ( 9486 PWs) bands (ev): -40.7616 -40.7616 -40.7547 -40.7547 -39.7328 -39.7328 -39.7150 -39.7150 -17.8443 -17.8443 -14.3575 -14.3575 -14.1318 -14.1318 -13.4490 -13.4490 -4.3930 -4.3929 -2.6407 -2.6399 -2.2738 -2.2738 -2.2670 -2.2663 0.5163 0.5165 0.7754 0.7766 1.1278 1.1279 1.2601 1.2615 2.6831 2.6838 2.8993 2.9009 2.9845 2.9855 3.0993 3.1004 8.1962 8.1964 11.6482 11.6499 12.4100 12.4123 12.5249 12.5251 k = 0.5074 0.4906 0.0522 ( 9489 PWs) bands (ev): -40.7614 -40.7614 -40.7544 -40.7544 -39.7330 -39.7330 -39.7152 -39.7152 -17.8410 -17.8410 -14.3568 -14.3568 -14.1319 -14.1319 -13.4546 -13.4546 -4.3949 -4.3948 -2.6377 -2.6367 -2.2849 -2.2847 -2.2774 -2.2767 0.5210 0.5212 0.7829 0.7843 1.1312 1.1314 1.2671 1.2687 2.6729 2.6736 2.9008 2.9025 2.9932 2.9941 3.0974 3.0987 8.1981 8.1983 11.6339 11.6358 12.3842 12.3868 12.5261 12.5264 k = 0.5083 0.4915 0.0665 ( 9493 PWs) bands (ev): -40.7611 -40.7611 -40.7542 -40.7542 -39.7333 -39.7333 -39.7155 -39.7155 -17.8374 -17.8374 -14.3560 -14.3560 -14.1319 -14.1319 -13.4609 -13.4609 -4.3969 -4.3968 -2.6343 -2.6332 -2.2972 -2.2969 -2.2888 -2.2882 0.5262 0.5265 0.7914 0.7929 1.1350 1.1352 1.2749 1.2767 2.6616 2.6622 2.9016 2.9035 3.0028 3.0038 3.0962 3.0976 8.2004 8.2006 11.6175 11.6196 12.3520 12.3548 12.5270 12.5273 k = 0.5093 0.4924 0.0809 ( 9493 PWs) bands (ev): -40.7608 -40.7608 -40.7539 -40.7539 -39.7336 -39.7336 -39.7158 -39.7158 -17.8334 -17.8334 -14.3552 -14.3552 -14.1320 -14.1320 -13.4678 -13.4678 -4.3991 -4.3990 -2.6309 -2.6296 -2.3106 -2.3102 -2.3013 -2.3007 0.5321 0.5324 0.8006 0.8023 1.1391 1.1393 1.2835 1.2855 2.6492 2.6497 2.9015 2.9036 3.0135 3.0144 3.0958 3.0974 8.2029 8.2031 11.5990 11.6012 12.3135 12.3165 12.5274 12.5277 k = 0.5102 0.4933 0.0952 ( 9495 PWs) bands (ev): -40.7605 -40.7605 -40.7536 -40.7536 -39.7339 -39.7339 -39.7162 -39.7162 -17.8291 -17.8291 -14.3543 -14.3543 -14.1322 -14.1322 -13.4753 -13.4752 -4.4014 -4.4012 -2.6273 -2.6259 -2.3250 -2.3244 -2.3147 -2.3141 0.5384 0.5387 0.8106 0.8124 1.1435 1.1437 1.2927 1.2949 2.6358 2.6362 2.9003 2.9024 3.0252 3.0260 3.0967 3.0983 8.2058 8.2060 11.5783 11.5806 12.2695 12.2727 12.5270 12.5274 k = 0.5111 0.4942 0.1095 ( 9499 PWs) bands (ev): -40.7602 -40.7602 -40.7532 -40.7532 -39.7342 -39.7342 -39.7165 -39.7165 -17.8244 -17.8244 -14.3533 -14.3533 -14.1324 -14.1324 -13.4832 -13.4832 -4.4037 -4.4036 -2.6237 -2.6222 -2.3402 -2.3395 -2.3289 -2.3283 0.5453 0.5456 0.8213 0.8232 1.1481 1.1483 1.3025 1.3049 2.6217 2.6219 2.8976 2.8998 3.0377 3.0385 3.0989 3.1005 8.2090 8.2093 11.5556 11.5579 12.2209 12.2242 12.5257 12.5261 k = 0.5120 0.4951 0.1239 ( 9501 PWs) bands (ev): -40.7599 -40.7599 -40.7528 -40.7528 -39.7346 -39.7346 -39.7169 -39.7169 -17.8194 -17.8194 -14.3522 -14.3522 -14.1326 -14.1326 -13.4916 -13.4915 -4.4062 -4.4060 -2.6203 -2.6186 -2.3561 -2.3552 -2.3439 -2.3433 0.5527 0.5530 0.8326 0.8346 1.1530 1.1532 1.3129 1.3155 2.6068 2.6069 2.8933 2.8956 3.0510 3.0517 3.1027 3.1043 8.2126 8.2129 11.5306 11.5330 12.1689 12.1721 12.5232 12.5236 k = 0.5130 0.4960 0.1382 ( 9503 PWs) bands (ev): -40.7595 -40.7595 -40.7525 -40.7525 -39.7350 -39.7350 -39.7173 -39.7173 -17.8142 -17.8142 -14.3511 -14.3511 -14.1329 -14.1329 -13.5003 -13.5003 -4.4086 -4.4085 -2.6170 -2.6151 -2.3725 -2.3715 -2.3595 -2.3589 0.5605 0.5609 0.8445 0.8466 1.1580 1.1582 1.3238 1.3265 2.5913 2.5913 2.8875 2.8897 3.0651 3.0657 3.1080 3.1096 8.2166 8.2169 11.5035 11.5058 12.1144 12.1176 12.5195 12.5200 k = 0.5139 0.4969 0.1525 ( 9499 PWs) bands (ev): -40.7591 -40.7591 -40.7521 -40.7521 -39.7354 -39.7354 -39.7177 -39.7177 -17.8087 -17.8087 -14.3500 -14.3500 -14.1333 -14.1333 -13.5094 -13.5094 -4.4111 -4.4109 -2.6140 -2.6120 -2.3891 -2.3880 -2.3757 -2.3751 0.5688 0.5691 0.8568 0.8590 1.1631 1.1633 1.3351 1.3379 2.5751 2.5753 2.8801 2.8822 3.0798 3.0802 3.1149 3.1164 8.2211 8.2214 11.4740 11.4763 12.0586 12.0618 12.5144 12.5148 k = 0.5148 0.4978 0.1669 ( 9493 PWs) bands (ev): -40.7588 -40.7588 -40.7516 -40.7516 -39.7358 -39.7358 -39.7182 -39.7182 -17.8030 -17.8030 -14.3488 -14.3488 -14.1337 -14.1337 -13.5187 -13.5187 -4.4135 -4.4134 -2.6115 -2.6093 -2.4059 -2.4047 -2.3924 -2.3917 0.5774 0.5778 0.8696 0.8718 1.1684 1.1686 1.3467 1.3497 2.5586 2.5589 2.8713 2.8733 3.0950 3.0953 3.1233 3.1246 8.2259 8.2262 11.4421 11.4442 12.0024 12.0055 12.5077 12.5082 k = 0.5157 0.4987 0.1812 ( 9493 PWs) bands (ev): -40.7584 -40.7584 -40.7512 -40.7512 -39.7362 -39.7362 -39.7186 -39.7186 -17.7971 -17.7971 -14.3476 -14.3476 -14.1343 -14.1343 -13.5283 -13.5283 -4.4159 -4.4158 -2.6096 -2.6072 -2.4226 -2.4212 -2.4094 -2.4087 0.5864 0.5867 0.8826 0.8849 1.1737 1.1739 1.3587 1.3618 2.5418 2.5423 2.8612 2.8632 3.1106 3.1108 3.1329 3.1340 8.2312 8.2316 11.4075 11.4095 11.9469 11.9498 12.4994 12.4999 k = 0.5167 0.4996 0.1956 ( 9487 PWs) bands (ev): -40.7579 -40.7579 -40.7508 -40.7508 -39.7366 -39.7366 -39.7191 -39.7191 -17.7911 -17.7911 -14.3463 -14.3463 -14.1349 -14.1349 -13.5380 -13.5379 -4.4183 -4.4181 -2.6085 -2.6059 -2.4388 -2.4374 -2.4266 -2.4258 0.5956 0.5960 0.8959 0.8982 1.1790 1.1792 1.3708 1.3741 2.5249 2.5255 2.8501 2.8520 3.1264 3.1265 3.1438 3.1446 8.2370 8.2373 11.3700 11.3719 11.8929 11.8956 12.4895 12.4900 k = 0.5176 0.5005 0.2099 ( 9488 PWs) bands (ev): -40.7575 -40.7575 -40.7503 -40.7503 -39.7370 -39.7370 -39.7196 -39.7196 -17.7849 -17.7849 -14.3450 -14.3450 -14.1356 -14.1356 -13.5477 -13.5477 -4.4206 -4.4204 -2.6085 -2.6057 -2.4543 -2.4530 -2.4440 -2.4429 0.6051 0.6054 0.9093 0.9116 1.1843 1.1845 1.3832 1.3866 2.5080 2.5087 2.8381 2.8399 3.1421 3.1425 3.1557 3.1561 8.2432 8.2436 11.3296 11.3312 11.8412 11.8437 12.4780 12.4785 k = 0.5185 0.5014 0.2242 ( 9497 PWs) bands (ev): -40.7571 -40.7571 -40.7499 -40.7499 -39.7375 -39.7375 -39.7200 -39.7200 -17.7787 -17.7787 -14.3438 -14.3438 -14.1364 -14.1364 -13.5575 -13.5575 -4.4228 -4.4226 -2.6098 -2.6068 -2.4687 -2.4679 -2.4614 -2.4596 0.6147 0.6151 0.9228 0.9251 1.1896 1.1898 1.3957 1.3991 2.4911 2.4920 2.8255 2.8271 3.1575 3.1583 3.1688 3.1689 8.2500 8.2504 11.2860 11.2875 11.7924 11.7947 12.4649 12.4654 k = 0.5195 0.5023 0.2386 ( 9491 PWs) bands (ev): -40.7567 -40.7567 -40.7494 -40.7494 -39.7379 -39.7379 -39.7205 -39.7205 -17.7724 -17.7724 -14.3425 -14.3425 -14.1373 -14.1373 -13.5672 -13.5672 -4.4249 -4.4247 -2.6126 -2.6096 -2.4826 -2.4821 -2.4783 -2.4751 0.6245 0.6248 0.9363 0.9386 1.1948 1.1951 1.4082 1.4117 2.4745 2.4755 2.8124 2.8139 3.1722 3.1735 3.1827 3.1832 8.2572 8.2576 11.2394 11.2407 11.7471 11.7491 12.4504 12.4509 k = 0.5204 0.5032 0.2529 ( 9499 PWs) bands (ev): -40.7563 -40.7563 -40.7490 -40.7490 -39.7384 -39.7384 -39.7210 -39.7210 -17.7661 -17.7661 -14.3412 -14.3412 -14.1383 -14.1383 -13.5767 -13.5767 -4.4269 -4.4268 -2.6174 -2.6144 -2.4982 -2.4970 -2.4916 -2.4877 0.6343 0.6346 0.9496 0.9519 1.2000 1.2002 1.4207 1.4242 2.4582 2.4592 2.7990 2.8003 3.1863 3.1877 3.1979 3.1986 8.2650 8.2654 11.1900 11.1910 11.7054 11.7071 12.4346 12.4351 k = 0.5213 0.5041 0.2672 ( 9500 PWs) bands (ev): -40.7559 -40.7559 -40.7485 -40.7485 -39.7388 -39.7388 -39.7215 -39.7215 -17.7598 -17.7598 -14.3399 -14.3399 -14.1394 -14.1394 -13.5861 -13.5861 -4.4288 -4.4287 -2.6240 -2.6211 -2.5146 -2.5138 -2.5007 -2.4974 0.6440 0.6443 0.9628 0.9650 1.2050 1.2052 1.4331 1.4367 2.4422 2.4434 2.7854 2.7867 3.1999 3.2013 3.2138 3.2145 8.2732 8.2736 11.1382 11.1389 11.6675 11.6689 12.4177 12.4182 k = 0.5222 0.5049 0.2816 ( 9502 PWs) bands (ev): -40.7555 -40.7555 -40.7481 -40.7481 -39.7392 -39.7392 -39.7219 -39.7219 -17.7536 -17.7536 -14.3387 -14.3387 -14.1406 -14.1406 -13.5953 -13.5953 -4.4307 -4.4305 -2.6325 -2.6299 -2.5310 -2.5304 -2.5075 -2.5047 0.6537 0.6540 0.9757 0.9779 1.2099 1.2102 1.4454 1.4490 2.4267 2.4280 2.7718 2.7730 3.2133 3.2146 3.2300 3.2306 8.2818 8.2822 11.0843 11.0849 11.6332 11.6344 12.3999 12.4004 k = 0.5232 0.5058 0.2959 ( 9502 PWs) bands (ev): -40.7551 -40.7551 -40.7477 -40.7477 -39.7397 -39.7397 -39.7224 -39.7224 -17.7475 -17.7475 -14.3374 -14.3374 -14.1418 -14.1418 -13.6042 -13.6042 -4.4324 -4.4322 -2.6426 -2.6402 -2.5471 -2.5467 -2.5125 -2.5100 0.6632 0.6634 0.9883 0.9904 1.2147 1.2149 1.4576 1.4610 2.4118 2.4131 2.7584 2.7595 3.2265 3.2277 3.2462 3.2467 8.2909 8.2913 11.0291 11.0295 11.6023 11.6033 12.3814 12.3819 k = 0.5241 0.5067 0.3103 ( 9512 PWs) bands (ev): -40.7547 -40.7547 -40.7473 -40.7473 -39.7401 -39.7401 -39.7228 -39.7228 -17.7416 -17.7416 -14.3362 -14.3362 -14.1432 -14.1432 -13.6127 -13.6127 -4.4340 -4.4339 -2.6538 -2.6517 -2.5629 -2.5625 -2.5160 -2.5139 0.6724 0.6726 1.0005 1.0025 1.2193 1.2196 1.4695 1.4729 2.3975 2.3989 2.7452 2.7462 3.2393 3.2405 3.2621 3.2626 8.3003 8.3007 10.9732 10.9734 11.5746 11.5755 12.3625 12.3629 k = 0.5250 0.5076 0.3246 ( 9526 PWs) bands (ev): -40.7543 -40.7543 -40.7469 -40.7469 -39.7405 -39.7405 -39.7233 -39.7233 -17.7358 -17.7358 -14.3351 -14.3351 -14.1445 -14.1445 -13.6208 -13.6208 -4.4356 -4.4354 -2.6658 -2.6640 -2.5781 -2.5778 -2.5183 -2.5166 0.6813 0.6815 1.0122 1.0141 1.2238 1.2240 1.4811 1.4843 2.3839 2.3853 2.7325 2.7334 3.2519 3.2530 3.2777 3.2781 8.3101 8.3105 10.9173 10.9173 11.5498 11.5505 12.3433 12.3437 k = 0.5259 0.5085 0.3389 ( 9521 PWs) bands (ev): -40.7539 -40.7539 -40.7465 -40.7465 -39.7409 -39.7409 -39.7237 -39.7237 -17.7302 -17.7302 -14.3340 -14.3340 -14.1460 -14.1459 -13.6285 -13.6285 -4.4370 -4.4369 -2.6781 -2.6765 -2.5926 -2.5924 -2.5199 -2.5185 0.6897 0.6899 1.0235 1.0252 1.2281 1.2283 1.4923 1.4954 2.3711 2.3725 2.7203 2.7211 3.2642 3.2651 3.2928 3.2931 8.3201 8.3205 10.8618 10.8618 11.5277 11.5283 12.3241 12.3245 k = 0.5269 0.5094 0.3533 ( 9519 PWs) bands (ev): -40.7536 -40.7536 -40.7461 -40.7461 -39.7412 -39.7412 -39.7241 -39.7241 -17.7249 -17.7249 -14.3329 -14.3329 -14.1474 -14.1474 -13.6358 -13.6358 -4.4384 -4.4382 -2.6903 -2.6890 -2.6065 -2.6063 -2.5210 -2.5199 0.6977 0.6978 1.0341 1.0357 1.2322 1.2324 1.5031 1.5061 2.3590 2.3604 2.7088 2.7095 3.2759 3.2768 3.3074 3.3076 8.3303 8.3307 10.8075 10.8075 11.5079 11.5085 12.3051 12.3055 k = 0.5278 0.5103 0.3676 ( 9514 PWs) bands (ev): -40.7532 -40.7532 -40.7458 -40.7458 -39.7416 -39.7416 -39.7244 -39.7244 -17.7199 -17.7199 -14.3319 -14.3319 -14.1488 -14.1488 -13.6425 -13.6425 -4.4397 -4.4395 -2.7023 -2.7013 -2.6195 -2.6194 -2.5217 -2.5208 0.7050 0.7052 1.0441 1.0456 1.2361 1.2363 1.5134 1.5162 2.3479 2.3492 2.6980 2.6987 3.2872 3.2880 3.3213 3.3215 8.3405 8.3409 10.7549 10.7550 11.4904 11.4909 12.2866 12.2870 k = 0.5287 0.5112 0.3819 ( 9514 PWs) bands (ev): -40.7529 -40.7529 -40.7454 -40.7454 -39.7419 -39.7419 -39.7248 -39.7248 -17.7152 -17.7152 -14.3310 -14.3310 -14.1502 -14.1502 -13.6487 -13.6487 -4.4409 -4.4408 -2.7139 -2.7130 -2.6317 -2.6316 -2.5222 -2.5215 0.7118 0.7119 1.0535 1.0548 1.2398 1.2400 1.5233 1.5258 2.3376 2.3389 2.6881 2.6887 3.2980 3.2987 3.3345 3.3347 8.3507 8.3510 10.7045 10.7046 11.4750 11.4754 12.2686 12.2690 k = 0.5296 0.5121 0.3963 ( 9512 PWs) bands (ev): -40.7527 -40.7527 -40.7451 -40.7451 -39.7422 -39.7422 -39.7251 -39.7251 -17.7108 -17.7108 -14.3301 -14.3301 -14.1516 -14.1515 -13.6543 -13.6543 -4.4421 -4.4420 -2.7248 -2.7241 -2.6431 -2.6429 -2.5225 -2.5220 0.7177 0.7178 1.0621 1.0632 1.2433 1.2435 1.5325 1.5348 2.3283 2.3295 2.6792 2.6797 3.3081 3.3088 3.3470 3.3471 8.3607 8.3610 10.6568 10.6568 11.4615 11.4619 12.2515 12.2518 k = 0.5306 0.5130 0.4106 ( 9515 PWs) bands (ev): -40.7524 -40.7524 -40.7448 -40.7448 -39.7424 -39.7424 -39.7254 -39.7254 -17.7068 -17.7068 -14.3293 -14.3293 -14.1528 -14.1528 -13.6594 -13.6594 -4.4433 -4.4432 -2.7350 -2.7345 -2.6534 -2.6533 -2.5227 -2.5224 0.7229 0.7230 1.0700 1.0710 1.2466 1.2468 1.5410 1.5431 2.3199 2.3210 2.6713 2.6718 3.3175 3.3182 3.3586 3.3586 8.3703 8.3706 10.6122 10.6123 11.4498 11.4503 12.2353 12.2356 k = 0.5315 0.5139 0.4249 ( 9514 PWs) bands (ev): -40.7522 -40.7522 -40.7446 -40.7446 -39.7427 -39.7427 -39.7256 -39.7256 -17.7033 -17.7033 -14.3286 -14.3286 -14.1540 -14.1540 -13.6638 -13.6638 -4.4444 -4.4443 -2.7444 -2.7440 -2.6628 -2.6627 -2.5228 -2.5227 0.7273 0.7273 1.0772 1.0780 1.2497 1.2499 1.5489 1.5506 2.3126 2.3135 2.6646 2.6649 3.3263 3.3269 3.3692 3.3692 8.3794 8.3797 10.5712 10.5712 11.4399 11.4404 12.2202 12.2205 k = 0.5324 0.5148 0.4393 ( 9524 PWs) bands (ev): -40.7520 -40.7520 -40.7444 -40.7444 -39.7429 -39.7429 -39.7259 -39.7259 -17.7002 -17.7002 -14.3280 -14.3280 -14.1551 -14.1550 -13.6677 -13.6677 -4.4455 -4.4455 -2.7528 -2.7526 -2.6711 -2.6710 -2.5229 -2.5229 0.7307 0.7307 1.0836 1.0841 1.2526 1.2527 1.5560 1.5574 2.3062 2.3071 2.6590 2.6593 3.3343 3.3348 3.3788 3.3789 8.3879 8.3881 10.5341 10.5342 11.4317 11.4321 12.2064 12.2067 k = 0.5333 0.5157 0.4536 ( 9530 PWs) bands (ev): -40.7518 -40.7518 -40.7442 -40.7442 -39.7431 -39.7431 -39.7261 -39.7261 -17.6975 -17.6975 -14.3275 -14.3275 -14.1560 -14.1560 -13.6709 -13.6709 -4.4466 -4.4466 -2.7603 -2.7602 -2.6783 -2.6782 -2.5230 -2.5229 0.7331 0.7332 1.0892 1.0895 1.2552 1.2553 1.5624 1.5634 2.3010 2.3016 2.6547 2.6550 3.3414 3.3419 3.3874 3.3875 8.3956 8.3957 10.5013 10.5014 11.4251 11.4256 12.1939 12.1942 k = 0.5343 0.5166 0.4680 ( 9531 PWs) bands (ev): -40.7517 -40.7517 -40.7440 -40.7440 -39.7433 -39.7433 -39.7262 -39.7262 -17.6953 -17.6953 -14.3271 -14.3271 -14.1567 -14.1567 -13.6735 -13.6735 -4.4478 -4.4477 -2.7667 -2.7667 -2.6844 -2.6843 -2.5231 -2.5229 0.7345 0.7346 1.0939 1.0941 1.2575 1.2577 1.5678 1.5686 2.2967 2.2972 2.6518 2.6519 3.3477 3.3482 3.3949 3.3950 8.4023 8.4023 10.4730 10.4733 11.4200 11.4206 12.1829 12.1832 k = 0.5343 0.5166 0.4680 ( 9531 PWs) bands (ev): -40.7517 -40.7517 -40.7440 -40.7440 -39.7433 -39.7433 -39.7262 -39.7262 -17.6953 -17.6953 -14.3271 -14.3271 -14.1567 -14.1567 -13.6735 -13.6735 -4.4478 -4.4477 -2.7667 -2.7667 -2.6844 -2.6843 -2.5231 -2.5229 0.7345 0.7346 1.0939 1.0941 1.2575 1.2577 1.5678 1.5686 2.2967 2.2972 2.6518 2.6519 3.3477 3.3482 3.3949 3.3950 8.4023 8.4023 10.4730 10.4733 11.4200 11.4206 12.1829 12.1832 k = 0.5286 0.5111 0.4784 ( 9546 PWs) bands (ev): -40.7516 -40.7516 -40.7440 -40.7440 -39.7433 -39.7433 -39.7263 -39.7263 -17.6943 -17.6943 -14.3267 -14.3267 -14.1574 -14.1574 -13.6743 -13.6743 -4.4492 -4.4491 -2.7704 -2.7704 -2.6885 -2.6884 -2.5263 -2.5261 0.7374 0.7375 1.0977 1.0979 1.2559 1.2560 1.5735 1.5741 2.2947 2.2951 2.6539 2.6540 3.3543 3.3547 3.4015 3.4016 8.4013 8.4014 10.4494 10.4496 11.4173 11.4178 12.1746 12.1748 k = 0.5228 0.5055 0.4888 ( 9548 PWs) bands (ev): -40.7515 -40.7515 -40.7439 -40.7439 -39.7434 -39.7434 -39.7264 -39.7264 -17.6934 -17.6934 -14.3264 -14.3264 -14.1580 -14.1580 -13.6749 -13.6749 -4.4504 -4.4503 -2.7734 -2.7734 -2.6918 -2.6918 -2.5290 -2.5288 0.7397 0.7398 1.1009 1.1010 1.2546 1.2547 1.5782 1.5787 2.2931 2.2934 2.6556 2.6557 3.3598 3.3601 3.4070 3.4071 8.4007 8.4007 10.4296 10.4298 11.4152 11.4155 12.1675 12.1677 k = 0.5171 0.5000 0.4992 ( 9536 PWs) bands (ev): -40.7515 -40.7515 -40.7438 -40.7438 -39.7434 -39.7434 -39.7265 -39.7265 -17.6928 -17.6928 -14.3262 -14.3262 -14.1584 -14.1584 -13.6754 -13.6754 -4.4513 -4.4512 -2.7758 -2.7758 -2.6945 -2.6944 -2.5311 -2.5310 0.7416 0.7416 1.1033 1.1034 1.2535 1.2536 1.5820 1.5823 2.2918 2.2921 2.6570 2.6570 3.3640 3.3643 3.4113 3.4113 8.4002 8.4002 10.4141 10.4142 11.4136 11.4139 12.1620 12.1621 k = 0.5114 0.4945 0.5096 ( 9526 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7434 -39.7434 -39.7265 -39.7265 -17.6923 -17.6923 -14.3261 -14.3261 -14.1587 -14.1587 -13.6758 -13.6758 -4.4519 -4.4519 -2.7775 -2.7775 -2.6963 -2.6963 -2.5326 -2.5325 0.7429 0.7429 1.1051 1.1052 1.2527 1.2528 1.5847 1.5850 2.2909 2.2911 2.6580 2.6580 3.3671 3.3673 3.4144 3.4144 8.3999 8.3999 10.4028 10.4029 11.4126 11.4127 12.1579 12.1580 k = 0.5057 0.4890 0.5200 ( 9520 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7434 -39.7434 -39.7266 -39.7266 -17.6921 -17.6921 -14.3260 -14.3260 -14.1589 -14.1589 -13.6760 -13.6760 -4.4523 -4.4523 -2.7785 -2.7785 -2.6975 -2.6975 -2.5335 -2.5334 0.7437 0.7437 1.1062 1.1062 1.2523 1.2523 1.5864 1.5865 2.2904 2.2905 2.6586 2.6586 3.3690 3.3691 3.4162 3.4162 8.3997 8.3997 10.3960 10.3961 11.4119 11.4120 12.1555 12.1555 k = 0.5000 0.4835 0.5305 ( 9516 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7434 -39.7434 -39.7266 -39.7266 -17.6920 -17.6920 -14.3259 -14.3259 -14.1590 -14.1590 -13.6761 -13.6761 -4.4525 -4.4525 -2.7788 -2.7788 -2.6978 -2.6978 -2.5338 -2.5338 0.7440 0.7440 1.1066 1.1066 1.2521 1.2521 1.5870 1.5870 2.2903 2.2903 2.6588 2.6588 3.3696 3.3696 3.4168 3.4168 8.3997 8.3997 10.3938 10.3938 11.4118 11.4118 12.1547 12.1547 k = 0.5000 0.4835 0.5305 ( 9516 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7434 -39.7434 -39.7266 -39.7266 -17.6920 -17.6920 -14.3259 -14.3259 -14.1590 -14.1590 -13.6761 -13.6761 -4.4525 -4.4525 -2.7788 -2.7788 -2.6978 -2.6978 -2.5338 -2.5338 0.7440 0.7440 1.1066 1.1066 1.2521 1.2521 1.5870 1.5870 2.2903 2.2903 2.6588 2.6588 3.3696 3.3696 3.4168 3.4168 8.3997 8.3997 10.3938 10.3938 11.4118 11.4118 12.1547 12.1547 k = 0.5100 0.4731 0.5305 ( 9514 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7434 -39.7434 -39.7266 -39.7266 -17.6919 -17.6919 -14.3261 -14.3261 -14.1587 -14.1587 -13.6762 -13.6762 -4.4524 -4.4523 -2.7791 -2.7787 -2.6982 -2.6978 -2.5332 -2.5329 0.7435 0.7438 1.1066 1.1068 1.2519 1.2523 1.5866 1.5871 2.2900 2.2904 2.6579 2.6583 3.3674 3.3696 3.4160 3.4182 8.4010 8.4010 10.3959 10.3960 11.4122 11.4123 12.1545 12.1546 k = 0.5201 0.4627 0.5305 ( 9524 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7266 -39.7266 -17.6918 -17.6918 -14.3268 -14.3267 -14.1581 -14.1580 -13.6764 -13.6764 -4.4521 -4.4520 -2.7795 -2.7788 -2.6988 -2.6980 -2.5313 -2.5307 0.7423 0.7429 1.1069 1.1074 1.2517 1.2525 1.5860 1.5869 2.2897 2.2904 2.6557 2.6565 3.3632 3.3672 3.4158 3.4198 8.4050 8.4050 10.4024 10.4025 11.4136 11.4138 12.1541 12.1542 k = 0.5301 0.4523 0.5305 ( 9526 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7266 -39.7266 -17.6916 -17.6916 -14.3278 -14.3277 -14.1569 -14.1568 -13.6768 -13.6768 -4.4515 -4.4514 -2.7802 -2.7790 -2.6997 -2.6985 -2.5280 -2.5272 0.7405 0.7414 1.1076 1.1083 1.2514 1.2527 1.5852 1.5865 2.2892 2.2902 2.6522 2.6534 3.3573 3.3627 3.4161 3.4214 8.4115 8.4116 10.4131 10.4133 11.4160 11.4164 12.1534 12.1536 k = 0.5402 0.4419 0.5305 ( 9522 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7266 -39.7266 -17.6913 -17.6913 -14.3291 -14.3291 -14.1553 -14.1553 -13.6774 -13.6774 -4.4508 -4.4507 -2.7810 -2.7795 -2.7007 -2.6991 -2.5234 -2.5224 0.7380 0.7391 1.1084 1.1094 1.2512 1.2528 1.5841 1.5859 2.2885 2.2899 2.6475 2.6490 3.3500 3.3563 3.4166 3.4229 8.4207 8.4209 10.4279 10.4283 11.4193 11.4198 12.1524 12.1527 k = 0.5502 0.4315 0.5305 ( 9526 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7266 -39.7266 -17.6910 -17.6910 -14.3308 -14.3307 -14.1534 -14.1533 -13.6782 -13.6782 -4.4499 -4.4498 -2.7821 -2.7802 -2.7017 -2.6998 -2.5176 -2.5164 0.7348 0.7363 1.1095 1.1107 1.2510 1.2530 1.5828 1.5851 2.2876 2.2895 2.6415 2.6435 3.3414 3.3483 3.4171 3.4239 8.4325 8.4326 10.4468 10.4472 11.4236 11.4242 12.1512 12.1515 k = 0.4498-0.4652 0.5930 ( 9526 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7266 -39.7266 -17.6910 -17.6910 -14.3308 -14.3307 -14.1534 -14.1533 -13.6782 -13.6782 -4.4499 -4.4498 -2.7821 -2.7802 -2.7017 -2.6998 -2.5176 -2.5164 0.7348 0.7363 1.1095 1.1107 1.2510 1.2530 1.5828 1.5851 2.2876 2.2895 2.6415 2.6435 3.3414 3.3483 3.4171 3.4239 8.4325 8.4326 10.4468 10.4472 11.4236 11.4242 12.1512 12.1515 k = 0.4398-0.4549 0.5930 ( 9522 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7266 -39.7266 -17.6905 -17.6905 -14.3328 -14.3327 -14.1511 -14.1510 -13.6791 -13.6791 -4.4489 -4.4487 -2.7836 -2.7812 -2.7026 -2.7004 -2.5107 -2.5093 0.7311 0.7329 1.1107 1.1121 1.2508 1.2532 1.5814 1.5841 2.2866 2.2888 2.6345 2.6369 3.3318 3.3391 3.4174 3.4246 8.4466 8.4468 10.4692 10.4697 11.4287 11.4294 12.1498 12.1502 k = 0.4298-0.4445 0.5930 ( 9516 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7265 -39.7265 -17.6900 -17.6900 -14.3350 -14.3349 -14.1485 -14.1483 -13.6802 -13.6802 -4.4477 -4.4474 -2.7853 -2.7826 -2.7034 -2.7008 -2.5028 -2.5012 0.7269 0.7288 1.1119 1.1136 1.2506 1.2534 1.5799 1.5831 2.2853 2.2879 2.6265 2.6293 3.3211 3.3287 3.4173 3.4248 8.4632 8.4634 10.4951 10.4957 11.4346 11.4354 12.1481 12.1485 k = 0.4198-0.4342 0.5930 ( 9510 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7435 -39.7435 -39.7265 -39.7265 -17.6895 -17.6895 -14.3374 -14.3372 -14.1456 -14.1454 -13.6815 -13.6814 -4.4464 -4.4461 -2.7873 -2.7842 -2.7039 -2.7009 -2.4938 -2.4921 0.7220 0.7242 1.1131 1.1150 1.2506 1.2537 1.5784 1.5821 2.2836 2.2867 2.6176 2.6208 3.3096 3.3173 3.4169 3.4246 8.4821 8.4823 10.5242 10.5248 11.4413 11.4422 12.1462 12.1467 k = 0.4098-0.4238 0.5930 ( 9512 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7436 -39.7436 -39.7265 -39.7265 -17.6888 -17.6888 -14.3399 -14.3398 -14.1425 -14.1423 -13.6829 -13.6828 -4.4450 -4.4447 -2.7897 -2.7862 -2.7040 -2.7007 -2.4840 -2.4821 0.7167 0.7191 1.1142 1.1163 1.2506 1.2540 1.5768 1.5810 2.2817 2.2852 2.6079 2.6116 3.2972 3.3051 3.4161 3.4239 8.5032 8.5035 10.5560 10.5567 11.4486 11.4497 12.1440 12.1447 k = 0.3998-0.4135 0.5930 ( 9508 PWs) bands (ev): -40.7514 -40.7514 -40.7438 -40.7438 -39.7436 -39.7436 -39.7265 -39.7265 -17.6881 -17.6881 -14.3426 -14.3424 -14.1392 -14.1391 -13.6844 -13.6844 -4.4436 -4.4432 -2.7924 -2.7886 -2.7037 -2.7001 -2.4732 -2.4713 0.7109 0.7135 1.1152 1.1174 1.2508 1.2545 1.5754 1.5801 2.2793 2.2833 2.5976 2.6018 3.2842 3.2921 3.4149 3.4227 8.5265 8.5268 10.5902 10.5910 11.4566 11.4578 12.1417 12.1424 k = 0.3898-0.4032 0.5930 ( 9510 PWs) bands (ev): -40.7514 -40.7514 -40.7437 -40.7437 -39.7437 -39.7437 -39.7264 -39.7264 -17.6874 -17.6874 -14.3453 -14.3451 -14.1358 -14.1357 -13.6861 -13.6861 -4.4421 -4.4418 -2.7953 -2.7912 -2.7030 -2.6992 -2.4617 -2.4597 0.7046 0.7074 1.1159 1.1182 1.2511 1.2550 1.5741 1.5793 2.2764 2.2809 2.5868 2.5915 3.2705 3.2785 3.4133 3.4211 8.5518 8.5521 10.6263 10.6271 11.4651 11.4665 12.1392 12.1400 k = 0.3798-0.3928 0.5930 ( 9512 PWs) bands (ev): -40.7514 -40.7514 -40.7437 -40.7437 -39.7437 -39.7437 -39.7264 -39.7264 -17.6866 -17.6866 -14.3480 -14.3478 -14.1323 -14.1322 -13.6880 -13.6879 -4.4407 -4.4404 -2.7983 -2.7940 -2.7020 -2.6979 -2.4495 -2.4474 0.6978 0.7009 1.1163 1.1186 1.2516 1.2558 1.5731 1.5788 2.2730 2.2781 2.5756 2.5809 3.2563 3.2643 3.4113 3.4191 8.5790 8.5794 10.6637 10.6646 11.4740 11.4756 12.1365 12.1374 k = 0.3698-0.3825 0.5930 ( 9518 PWs) bands (ev): -40.7515 -40.7515 -40.7437 -40.7437 -39.7438 -39.7438 -39.7263 -39.7263 -17.6857 -17.6857 -14.3507 -14.3505 -14.1288 -14.1286 -13.6900 -13.6899 -4.4394 -4.4390 -2.8015 -2.7970 -2.7005 -2.6963 -2.4366 -2.4344 0.6907 0.6939 1.1164 1.1186 1.2524 1.2567 1.5723 1.5785 2.2691 2.2746 2.5644 2.5702 3.2416 3.2496 3.4090 3.4167 8.6081 8.6085 10.7019 10.7028 11.4834 11.4850 12.1336 12.1347 k = 0.3598-0.3722 0.5930 ( 9524 PWs) bands (ev): -40.7515 -40.7515 -40.7437 -40.7437 -39.7439 -39.7439 -39.7263 -39.7263 -17.6848 -17.6848 -14.3533 -14.3531 -14.1252 -14.1250 -13.6921 -13.6921 -4.4382 -4.4378 -2.8047 -2.8001 -2.6987 -2.6943 -2.4230 -2.4208 0.6831 0.6864 1.1159 1.1181 1.2534 1.2578 1.5718 1.5784 2.2645 2.2706 2.5531 2.5595 3.2266 3.2346 3.4062 3.4140 8.6389 8.6392 10.7403 10.7413 11.4930 11.4948 12.1305 12.1317 k = 0.3498-0.3618 0.5930 ( 9522 PWs) bands (ev): -40.7515 -40.7515 -40.7436 -40.7436 -39.7440 -39.7440 -39.7262 -39.7262 -17.6838 -17.6838 -14.3559 -14.3557 -14.1216 -14.1214 -13.6943 -13.6943 -4.4372 -4.4367 -2.8078 -2.8030 -2.6967 -2.6921 -2.4089 -2.4066 0.6751 0.6786 1.1150 1.1170 1.2547 1.2592 1.5717 1.5788 2.2593 2.2659 2.5421 2.5490 3.2113 3.2193 3.4032 3.4109 8.6712 8.6716 10.7781 10.7792 11.5028 11.5047 12.1273 12.1286 k = 0.3398-0.3515 0.5930 ( 9516 PWs) bands (ev): -40.7516 -40.7516 -40.7436 -40.7436 -39.7441 -39.7441 -39.7261 -39.7261 -17.6829 -17.6829 -14.3583 -14.3581 -14.1180 -14.1179 -13.6967 -13.6967 -4.4363 -4.4359 -2.8107 -2.8059 -2.6943 -2.6896 -2.3943 -2.3920 0.6667 0.6703 1.1135 1.1152 1.2564 1.2609 1.5720 1.5794 2.2533 2.2604 2.5313 2.5388 3.1958 3.2039 3.3998 3.4075 8.7050 8.7054 10.8148 10.8159 11.5127 11.5148 12.1238 12.1253 k = 0.3299-0.3411 0.5930 ( 9520 PWs) bands (ev): -40.7517 -40.7517 -40.7435 -40.7435 -39.7442 -39.7442 -39.7260 -39.7260 -17.6819 -17.6818 -14.3606 -14.3604 -14.1145 -14.1143 -13.6992 -13.6992 -4.4358 -4.4352 -2.8135 -2.8086 -2.6918 -2.6870 -2.3793 -2.3769 0.6579 0.6617 1.1114 1.1129 1.2584 1.2630 1.5726 1.5804 2.2467 2.2543 2.5210 2.5290 3.1803 3.1883 3.3961 3.4037 8.7401 8.7404 10.8496 10.8507 11.5226 11.5248 12.1201 12.1217 k = 0.3199-0.3308 0.5930 ( 9516 PWs) bands (ev): -40.7517 -40.7517 -40.7435 -40.7435 -39.7443 -39.7443 -39.7259 -39.7259 -17.6808 -17.6808 -14.3628 -14.3626 -14.1111 -14.1109 -13.7018 -13.7018 -4.4354 -4.4349 -2.8159 -2.8110 -2.6890 -2.6842 -2.3639 -2.3614 0.6487 0.6527 1.1086 1.1098 1.2610 1.2656 1.5736 1.5817 2.2395 2.2475 2.5113 2.5198 3.1648 3.1728 3.3921 3.3997 8.7763 8.7767 10.8818 10.8829 11.5325 11.5348 12.1161 12.1179 k = 0.3099-0.3205 0.5930 ( 9506 PWs) bands (ev): -40.7518 -40.7518 -40.7434 -40.7434 -39.7445 -39.7445 -39.7258 -39.7258 -17.6798 -17.6798 -14.3648 -14.3646 -14.1077 -14.1075 -13.7045 -13.7045 -4.4354 -4.4349 -2.8180 -2.8130 -2.6861 -2.6812 -2.3482 -2.3456 0.6392 0.6432 1.1051 1.1062 1.2640 1.2687 1.5750 1.5833 2.2316 2.2400 2.5022 2.5112 3.1494 3.1575 3.3879 3.3954 8.8136 8.8139 10.9106 10.9118 11.5422 11.5447 12.1117 12.1136 k = 0.2999-0.3101 0.5930 ( 9502 PWs) bands (ev): -40.7519 -40.7519 -40.7433 -40.7433 -39.7446 -39.7446 -39.7256 -39.7256 -17.6787 -17.6787 -14.3666 -14.3664 -14.1045 -14.1043 -13.7073 -13.7072 -4.4358 -4.4352 -2.8196 -2.8146 -2.6831 -2.6781 -2.3322 -2.3296 0.6293 0.6334 1.1010 1.1018 1.2675 1.2723 1.5767 1.5852 2.2231 2.2318 2.4938 2.5032 3.1342 3.1423 3.3833 3.3908 8.8516 8.8520 10.9355 10.9367 11.5517 11.5543 12.1070 12.1090 k = 0.2899-0.2998 0.5930 ( 9494 PWs) bands (ev): -40.7519 -40.7519 -40.7433 -40.7433 -39.7448 -39.7448 -39.7255 -39.7255 -17.6776 -17.6776 -14.3682 -14.3680 -14.1014 -14.1012 -13.7101 -13.7101 -4.4365 -4.4360 -2.8207 -2.8157 -2.6800 -2.6750 -2.3161 -2.3134 0.6190 0.6233 1.0961 1.0969 1.2717 1.2765 1.5787 1.5873 2.2142 2.2232 2.4861 2.4959 3.1193 3.1275 3.3785 3.3859 8.8904 8.8907 10.9559 10.9572 11.5610 11.5637 12.1018 12.1040 k = 0.2799-0.2895 0.5930 ( 9496 PWs) bands (ev): -40.7520 -40.7520 -40.7432 -40.7432 -39.7450 -39.7450 -39.7253 -39.7253 -17.6765 -17.6765 -14.3697 -14.3694 -14.0984 -14.0982 -13.7131 -13.7130 -4.4376 -4.4371 -2.8213 -2.8162 -2.6769 -2.6718 -2.2999 -2.2971 0.6084 0.6127 1.0906 1.0915 1.2764 1.2813 1.5809 1.5895 2.2050 2.2141 2.4791 2.4893 3.1048 3.1131 3.3734 3.3808 8.9297 8.9300 10.9714 10.9727 11.5700 11.5729 12.0962 12.0985 k = 0.2699-0.2791 0.5930 ( 9498 PWs) bands (ev): -40.7521 -40.7521 -40.7431 -40.7431 -39.7452 -39.7452 -39.7251 -39.7251 -17.6755 -17.6754 -14.3708 -14.3706 -14.0955 -14.0953 -13.7161 -13.7160 -4.4392 -4.4386 -2.8213 -2.8162 -2.6737 -2.6685 -2.2836 -2.2809 0.5975 0.6019 1.0844 1.0855 1.2817 1.2867 1.5833 1.5919 2.1955 2.2047 2.4728 2.4833 3.0908 3.0992 3.3681 3.3754 8.9693 8.9696 10.9817 10.9829 11.5788 11.5818 12.0903 12.0926 k = 0.2599-0.2688 0.5930 ( 9498 PWs) bands (ev): -40.7523 -40.7523 -40.7430 -40.7430 -39.7454 -39.7454 -39.7249 -39.7249 -17.6744 -17.6744 -14.3718 -14.3716 -14.0928 -14.0926 -13.7191 -13.7190 -4.4411 -4.4406 -2.8206 -2.8156 -2.6704 -2.6653 -2.2674 -2.2646 0.5863 0.5907 1.0778 1.0789 1.2876 1.2926 1.5859 1.5944 2.1858 2.1951 2.4671 2.4779 3.0774 3.0858 3.3625 3.3697 9.0091 9.0094 10.9866 10.9878 11.5874 11.5904 12.0840 12.0863 k = 0.2499-0.2584 0.5930 ( 9502 PWs) bands (ev): -40.7524 -40.7524 -40.7429 -40.7429 -39.7456 -39.7456 -39.7247 -39.7247 -17.6733 -17.6733 -14.3726 -14.3724 -14.0903 -14.0901 -13.7222 -13.7221 -4.4435 -4.4429 -2.8193 -2.8143 -2.6672 -2.6620 -2.2513 -2.2485 0.5748 0.5793 1.0707 1.0720 1.2941 1.2991 1.5886 1.5969 2.1762 2.1855 2.4620 2.4730 3.0647 3.0732 3.3566 3.3638 9.0488 9.0491 10.9860 10.9872 11.5958 11.5989 12.0776 12.0799 k = 0.2399-0.2481 0.5930 ( 9506 PWs) bands (ev): -40.7525 -40.7525 -40.7427 -40.7427 -39.7458 -39.7458 -39.7245 -39.7245 -17.6723 -17.6722 -14.3731 -14.3729 -14.0879 -14.0878 -13.7252 -13.7252 -4.4463 -4.4457 -2.8174 -2.8123 -2.6641 -2.6588 -2.2354 -2.2326 0.5631 0.5676 1.0633 1.0647 1.3011 1.3060 1.5915 1.5994 2.1667 2.1760 2.4574 2.4685 3.0528 3.0614 3.3505 3.3576 9.0884 9.0887 10.9802 10.9814 11.6041 11.6073 12.0711 12.0733 k = 0.2299-0.2378 0.5930 ( 9506 PWs) bands (ev): -40.7526 -40.7526 -40.7426 -40.7426 -39.7460 -39.7460 -39.7243 -39.7243 -17.6712 -17.6712 -14.3735 -14.3733 -14.0858 -14.0856 -13.7283 -13.7283 -4.4495 -4.4490 -2.8147 -2.8097 -2.6609 -2.6557 -2.2198 -2.2169 0.5512 0.5556 1.0556 1.0570 1.3084 1.3133 1.5944 1.6020 2.1575 2.1666 2.4531 2.4644 3.0417 3.0505 3.3441 3.3512 9.1276 9.1278 10.9695 10.9706 11.6124 11.6156 12.0646 12.0668 k = 0.2199-0.2274 0.5930 ( 9498 PWs) bands (ev): -40.7528 -40.7528 -40.7425 -40.7425 -39.7463 -39.7463 -39.7241 -39.7241 -17.6702 -17.6702 -14.3736 -14.3734 -14.0838 -14.0836 -13.7314 -13.7314 -4.4531 -4.4526 -2.8114 -2.8064 -2.6579 -2.6526 -2.2045 -2.2016 0.5391 0.5435 1.0477 1.0491 1.3162 1.3209 1.5975 1.6046 2.1486 2.1575 2.4491 2.4605 3.0317 3.0405 3.3374 3.3444 9.1661 9.1664 10.9541 10.9552 11.6210 11.6242 12.0584 12.0605 k = 0.2099-0.2171 0.5930 ( 9500 PWs) bands (ev): -40.7529 -40.7529 -40.7424 -40.7424 -39.7465 -39.7465 -39.7239 -39.7239 -17.6692 -17.6692 -14.3735 -14.3733 -14.0820 -14.0818 -13.7345 -13.7345 -4.4571 -4.4565 -2.8074 -2.8024 -2.6550 -2.6496 -2.1895 -2.1866 0.5269 0.5313 1.0397 1.0411 1.3241 1.3287 1.6008 1.6073 2.1401 2.1488 2.4452 2.4568 3.0227 3.0316 3.3304 3.3375 9.2039 9.2042 10.9346 10.9356 11.6299 11.6331 12.0525 12.0544 k = 0.1999-0.2068 0.5930 ( 9508 PWs) bands (ev): -40.7530 -40.7530 -40.7422 -40.7422 -39.7467 -39.7467 -39.7237 -39.7237 -17.6683 -17.6682 -14.3732 -14.3730 -14.0803 -14.0801 -13.7375 -13.7375 -4.4614 -4.4608 -2.8028 -2.7978 -2.6521 -2.6468 -2.1750 -2.1721 0.5146 0.5190 1.0315 1.0329 1.3322 1.3365 1.6043 1.6102 2.1321 2.1406 2.4414 2.4531 3.0148 3.0239 3.3231 3.3302 9.2407 9.2410 10.9114 10.9124 11.6393 11.6426 12.0470 12.0488 k = 0.1899-0.1964 0.5930 ( 9508 PWs) bands (ev): -40.7532 -40.7532 -40.7421 -40.7421 -39.7470 -39.7470 -39.7234 -39.7234 -17.6673 -17.6673 -14.3727 -14.3726 -14.0789 -14.0787 -13.7405 -13.7405 -4.4660 -4.4654 -2.7976 -2.7926 -2.6495 -2.6441 -2.1610 -2.1582 0.5024 0.5067 1.0233 1.0247 1.3403 1.3443 1.6080 1.6133 2.1247 2.1330 2.4376 2.4493 3.0082 3.0174 3.3156 3.3226 9.2764 9.2766 10.8851 10.8860 11.6495 11.6528 12.0420 12.0436 k = 0.1799-0.1861 0.5930 ( 9510 PWs) bands (ev): -40.7533 -40.7533 -40.7420 -40.7420 -39.7472 -39.7472 -39.7232 -39.7232 -17.6664 -17.6664 -14.3721 -14.3719 -14.0776 -14.0774 -13.7435 -13.7434 -4.4708 -4.4703 -2.7918 -2.7868 -2.6470 -2.6416 -2.1476 -2.1448 0.4903 0.4945 1.0152 1.0165 1.3482 1.3518 1.6121 1.6167 2.1179 2.1259 2.4337 2.4454 3.0029 3.0122 3.3077 3.3147 9.3108 9.3110 10.8564 10.8572 11.6607 11.6639 12.0374 12.0389 k = 0.1699-0.1757 0.5930 ( 9504 PWs) bands (ev): -40.7534 -40.7534 -40.7419 -40.7419 -39.7475 -39.7475 -39.7230 -39.7230 -17.6656 -17.6656 -14.3713 -14.3712 -14.0765 -14.0763 -13.7463 -13.7463 -4.4758 -4.4753 -2.7854 -2.7805 -2.6447 -2.6393 -2.1347 -2.1320 0.4782 0.4823 1.0072 1.0083 1.3558 1.3591 1.6167 1.6204 2.1118 2.1195 2.4295 2.4412 2.9989 3.0083 3.2995 3.3065 9.3436 9.3438 10.8256 10.8264 11.6730 11.6762 12.0333 12.0346 k = 0.1599-0.1654 0.5930 ( 9502 PWs) bands (ev): -40.7535 -40.7535 -40.7417 -40.7417 -39.7477 -39.7477 -39.7228 -39.7228 -17.6648 -17.6648 -14.3704 -14.3702 -14.0756 -14.0754 -13.7491 -13.7491 -4.4809 -4.4805 -2.7787 -2.7737 -2.6426 -2.6372 -2.1225 -2.1198 0.4664 0.4704 0.9992 1.0003 1.3629 1.3658 1.6216 1.6247 2.1064 2.1138 2.4251 2.4367 2.9964 3.0058 3.2910 3.2980 9.3748 9.3751 10.7935 10.7943 11.6867 11.6898 12.0296 12.0308 k = 0.1499-0.1551 0.5930 ( 9488 PWs) bands (ev): -40.7537 -40.7537 -40.7416 -40.7416 -39.7479 -39.7479 -39.7226 -39.7226 -17.6640 -17.6640 -14.3694 -14.3692 -14.0748 -14.0746 -13.7518 -13.7517 -4.4862 -4.4857 -2.7715 -2.7665 -2.6408 -2.6354 -2.1110 -2.1083 0.4549 0.4587 0.9915 0.9925 1.3695 1.3720 1.6271 1.6294 2.1018 2.1088 2.4203 2.4317 2.9953 3.0048 3.2822 3.2892 9.4043 9.4045 10.7606 10.7612 11.7017 11.7048 12.0263 12.0275 k = 0.1399-0.1447 0.5930 ( 9488 PWs) bands (ev): -40.7538 -40.7538 -40.7415 -40.7415 -39.7481 -39.7481 -39.7224 -39.7224 -17.6633 -17.6633 -14.3682 -14.3681 -14.0742 -14.0740 -13.7543 -13.7543 -4.4915 -4.4910 -2.7639 -2.7590 -2.6393 -2.6339 -2.1001 -2.0976 0.4437 0.4474 0.9840 0.9849 1.3753 1.3775 1.6330 1.6348 2.0979 2.1046 2.4150 2.4263 2.9957 3.0051 3.2730 3.2800 9.4319 9.4321 10.7273 10.7279 11.7183 11.7214 12.0235 12.0245 k = 0.1299-0.1344 0.5930 ( 9486 PWs) bands (ev): -40.7539 -40.7539 -40.7414 -40.7414 -39.7483 -39.7483 -39.7222 -39.7222 -17.6626 -17.6626 -14.3671 -14.3669 -14.0737 -14.0735 -13.7568 -13.7567 -4.4967 -4.4963 -2.7561 -2.7511 -2.6380 -2.6326 -2.0900 -2.0875 0.4330 0.4365 0.9767 0.9776 1.3805 1.3824 1.6393 1.6407 2.0948 2.1012 2.4094 2.4204 2.9974 3.0069 3.2635 3.2705 9.4575 9.4577 10.6941 10.6947 11.7365 11.7394 12.0209 12.0219 k = 0.1199-0.1241 0.5930 ( 9480 PWs) bands (ev): -40.7540 -40.7540 -40.7413 -40.7413 -39.7485 -39.7485 -39.7220 -39.7220 -17.6619 -17.6619 -14.3658 -14.3657 -14.0733 -14.0732 -13.7591 -13.7590 -4.5018 -4.5014 -2.7481 -2.7431 -2.6372 -2.6317 -2.0806 -2.0783 0.4227 0.4260 0.9698 0.9705 1.3848 1.3865 1.6459 1.6472 2.0925 2.0986 2.4033 2.4141 3.0006 3.0101 3.2536 3.2607 9.4811 9.4813 10.6616 10.6621 11.7561 11.7590 12.0188 12.0197 k = 0.1100-0.1137 0.5930 ( 9478 PWs) bands (ev): -40.7541 -40.7541 -40.7412 -40.7412 -39.7487 -39.7487 -39.7218 -39.7218 -17.6613 -17.6613 -14.3645 -14.3644 -14.0731 -14.0729 -13.7612 -13.7612 -4.5068 -4.5065 -2.7400 -2.7350 -2.6366 -2.6312 -2.0719 -2.0698 0.4130 0.4161 0.9632 0.9639 1.3884 1.3899 1.6526 1.6542 2.0910 2.0967 2.3969 2.4073 3.0051 3.0145 3.2434 3.2505 9.5027 9.5029 10.6300 10.6305 11.7771 11.7799 12.0169 12.0178 k = 0.1000-0.1034 0.5930 ( 9472 PWs) bands (ev): -40.7542 -40.7542 -40.7411 -40.7411 -39.7489 -39.7489 -39.7216 -39.7216 -17.6608 -17.6608 -14.3633 -14.3631 -14.0729 -14.0728 -13.7632 -13.7632 -4.5115 -4.5112 -2.7318 -2.7268 -2.6365 -2.6311 -2.0641 -2.0620 0.4040 0.4068 0.9571 0.9576 1.3912 1.3927 1.6596 1.6614 2.0902 2.0956 2.3902 2.4001 3.0109 3.0202 3.2329 3.2400 9.5221 9.5223 10.5999 10.6003 11.7993 11.8020 12.0153 12.0163 k = 0.0900-0.0930 0.5930 ( 9480 PWs) bands (ev): -40.7543 -40.7543 -40.7410 -40.7410 -39.7490 -39.7490 -39.7215 -39.7215 -17.6603 -17.6603 -14.3620 -14.3619 -14.0728 -14.0727 -13.7650 -13.7650 -4.5160 -4.5158 -2.7236 -2.7186 -2.6367 -2.6313 -2.0569 -2.0551 0.3956 0.3982 0.9514 0.9519 1.3934 1.3948 1.6666 1.6686 2.0902 2.0952 2.3834 2.3927 3.0178 3.0270 3.2220 3.2292 9.5396 9.5397 10.5716 10.5720 11.8223 11.8249 12.0141 12.0151 k = 0.0800-0.0827 0.5930 ( 9486 PWs) bands (ev): -40.7544 -40.7544 -40.7409 -40.7409 -39.7492 -39.7492 -39.7213 -39.7213 -17.6599 -17.6599 -14.3608 -14.3607 -14.0728 -14.0727 -13.7667 -13.7667 -4.5202 -4.5200 -2.7155 -2.7105 -2.6374 -2.6321 -2.0506 -2.0489 0.3879 0.3903 0.9461 0.9466 1.3950 1.3964 1.6735 1.6756 2.0908 2.0955 2.3764 2.3851 3.0257 3.0348 3.2109 3.2181 9.5549 9.5551 10.5454 10.5457 11.8456 11.8482 12.0132 12.0142 k = 0.0700-0.0724 0.5930 ( 9492 PWs) bands (ev): -40.7544 -40.7544 -40.7409 -40.7409 -39.7493 -39.7493 -39.7212 -39.7212 -17.6595 -17.6595 -14.3597 -14.3596 -14.0729 -14.0728 -13.7682 -13.7682 -4.5240 -4.5238 -2.7076 -2.7026 -2.6386 -2.6332 -2.0450 -2.0435 0.3811 0.3831 0.9414 0.9418 1.3962 1.3975 1.6801 1.6822 2.0920 2.0962 2.3696 2.3776 3.0346 3.0436 3.1994 3.2067 9.5683 9.5685 10.5215 10.5218 11.8688 11.8712 12.0128 12.0138 k = 0.0600-0.0620 0.5930 ( 9494 PWs) bands (ev): -40.7545 -40.7545 -40.7408 -40.7408 -39.7495 -39.7495 -39.7211 -39.7211 -17.6591 -17.6591 -14.3587 -14.3586 -14.0729 -14.0729 -13.7695 -13.7695 -4.5274 -4.5272 -2.6999 -2.6949 -2.6402 -2.6349 -2.0401 -2.0388 0.3751 0.3768 0.9373 0.9376 1.3971 1.3982 1.6862 1.6883 2.0936 2.0974 2.3631 2.3703 3.0444 3.0532 3.1877 3.1951 9.5798 9.5799 10.5003 10.5006 11.8910 11.8934 12.0128 12.0139 k = 0.0500-0.0517 0.5930 ( 9484 PWs) bands (ev): -40.7546 -40.7546 -40.7407 -40.7407 -39.7495 -39.7495 -39.7210 -39.7210 -17.6589 -17.6589 -14.3578 -14.3577 -14.0730 -14.0730 -13.7706 -13.7706 -4.5303 -4.5302 -2.6926 -2.6875 -2.6423 -2.6370 -2.0360 -2.0349 0.3699 0.3714 0.9337 0.9339 1.3976 1.3986 1.6918 1.6937 2.0955 2.0989 2.3572 2.3634 3.0548 3.0635 3.1757 3.1832 9.5893 9.5894 10.4820 10.4822 11.9115 11.9137 12.0135 12.0146 k = 0.0400-0.0414 0.5930 ( 9494 PWs) bands (ev): -40.7546 -40.7546 -40.7407 -40.7407 -39.7496 -39.7496 -39.7209 -39.7209 -17.6586 -17.6586 -14.3570 -14.3570 -14.0731 -14.0731 -13.7715 -13.7715 -4.5328 -4.5327 -2.6855 -2.6805 -2.6449 -2.6397 -2.0327 -2.0318 0.3657 0.3669 0.9308 0.9309 1.3980 1.3988 1.6966 1.6982 2.0975 2.1003 2.3520 2.3571 3.0658 3.0743 3.1636 3.1711 9.5970 9.5971 10.4668 10.4670 11.9293 11.9312 12.0149 12.0161 k = 0.0300-0.0310 0.5930 ( 9496 PWs) bands (ev): -40.7547 -40.7547 -40.7407 -40.7407 -39.7497 -39.7497 -39.7209 -39.7209 -17.6584 -17.6584 -14.3564 -14.3564 -14.0732 -14.0732 -13.7722 -13.7722 -4.5347 -4.5346 -2.6789 -2.6739 -2.6480 -2.6428 -2.0301 -2.0294 0.3624 0.3633 0.9284 0.9286 1.3982 1.3989 1.7005 1.7017 2.0995 2.1017 2.3478 2.3518 3.0773 3.0857 3.1513 3.1589 9.6030 9.6030 10.4548 10.4549 11.9434 11.9450 12.0171 12.0181 k = 0.0200-0.0207 0.5930 ( 9494 PWs) bands (ev): -40.7547 -40.7547 -40.7406 -40.7406 -39.7497 -39.7497 -39.7208 -39.7208 -17.6583 -17.6583 -14.3560 -14.3559 -14.0733 -14.0733 -13.7727 -13.7727 -4.5361 -4.5360 -2.6728 -2.6679 -2.6514 -2.6464 -2.0281 -2.0277 0.3601 0.3607 0.9268 0.9269 1.3984 1.3989 1.7034 1.7043 2.1012 2.1027 2.3449 2.3476 3.0891 3.0973 3.1389 3.1466 9.6072 9.6072 10.4461 10.4462 11.9535 11.9546 12.0198 12.0205 k = 0.0100-0.0103 0.5930 ( 9496 PWs) bands (ev): -40.7547 -40.7547 -40.7406 -40.7406 -39.7498 -39.7498 -39.7208 -39.7208 -17.6582 -17.6582 -14.3557 -14.3557 -14.0733 -14.0733 -13.7730 -13.7730 -4.5369 -4.5369 -2.6673 -2.6632 -2.6546 -2.6504 -2.0270 -2.0267 0.3588 0.3591 0.9258 0.9258 1.3986 1.3988 1.7053 1.7057 2.1024 2.1032 2.3433 2.3447 3.1012 3.1091 3.1268 3.1344 9.6097 9.6097 10.4409 10.4409 11.9594 11.9600 12.0220 12.0224 k = 0.0000 0.0000 0.5930 ( 9496 PWs) bands (ev): -40.7547 -40.7547 -40.7406 -40.7406 -39.7498 -39.7498 -39.7208 -39.7208 -17.6582 -17.6582 -14.3556 -14.3556 -14.0733 -14.0733 -13.7731 -13.7731 -4.5372 -4.5372 -2.6630 -2.6630 -2.6542 -2.6542 -2.0265 -2.0265 0.3584 0.3584 0.9255 0.9255 1.3987 1.3987 1.7060 1.7060 2.1031 2.1031 2.3432 2.3432 3.1128 3.1128 3.1228 3.1228 9.6105 9.6105 10.4392 10.4392 11.9616 11.9616 12.0230 12.0230 k = 0.0000 0.0000 0.5930 ( 9496 PWs) bands (ev): -40.7547 -40.7547 -40.7406 -40.7406 -39.7498 -39.7498 -39.7208 -39.7208 -17.6582 -17.6582 -14.3556 -14.3556 -14.0733 -14.0733 -13.7731 -13.7731 -4.5372 -4.5372 -2.6630 -2.6630 -2.6542 -2.6542 -2.0265 -2.0265 0.3584 0.3584 0.9255 0.9255 1.3987 1.3987 1.7060 1.7060 2.1031 2.1031 2.3432 2.3432 3.1128 3.1128 3.1228 3.1228 9.6105 9.6105 10.4392 10.4392 11.9616 11.9616 12.0230 12.0230 k = 0.0103 0.0100 0.5930 ( 9495 PWs) bands (ev): -40.7547 -40.7547 -40.7406 -40.7406 -39.7498 -39.7498 -39.7208 -39.7208 -17.6582 -17.6582 -14.3556 -14.3556 -14.0734 -14.0734 -13.7730 -13.7730 -4.5370 -4.5370 -2.6634 -2.6634 -2.6543 -2.6543 -2.0267 -2.0267 0.3585 0.3586 0.9255 0.9258 1.3990 1.3991 1.7044 1.7051 2.1040 2.1043 2.3433 2.3433 3.1130 3.1130 3.1228 3.1230 9.6097 9.6099 10.4399 10.4401 11.9605 11.9607 12.0233 12.0233 k = 0.0207 0.0200 0.5930 ( 9491 PWs) bands (ev): -40.7547 -40.7547 -40.7406 -40.7406 -39.7498 -39.7498 -39.7208 -39.7208 -17.6583 -17.6583 -14.3555 -14.3555 -14.0737 -14.0737 -13.7727 -13.7727 -4.5362 -4.5362 -2.6646 -2.6645 -2.6544 -2.6544 -2.0274 -2.0274 0.3589 0.3590 0.9259 0.9266 1.4002 1.4004 1.7003 1.7016 2.1068 2.1074 2.3435 2.3436 3.1134 3.1134 3.1230 3.1234 9.6073 9.6078 10.4424 10.4429 11.9574 11.9578 12.0241 12.0242 k = 0.0310 0.0300 0.5930 ( 9487 PWs) bands (ev): -40.7547 -40.7547 -40.7406 -40.7406 -39.7497 -39.7497 -39.7209 -39.7209 -17.6585 -17.6585 -14.3553 -14.3553 -14.0742 -14.0742 -13.7723 -13.7723 -4.5351 -4.5350 -2.6665 -2.6664 -2.6546 -2.6546 -2.0285 -2.0285 0.3595 0.3597 0.9268 0.9278 1.4022 1.4025 1.6938 1.6957 2.1114 2.1123 2.3438 2.3440 3.1141 3.1141 3.1235 3.1240 9.6034 9.6041 10.4467 10.4473 11.9525 11.9531 12.0256 12.0257 k = 0.0414 0.0400 0.5930 ( 9485 PWs) bands (ev): -40.7546 -40.7546 -40.7407 -40.7407 -39.7497 -39.7497 -39.7209 -39.7209 -17.6587 -17.6587 -14.3551 -14.3551 -14.0749 -14.0749 -13.7716 -13.7716 -4.5334 -4.5334 -2.6692 -2.6690 -2.6549 -2.6548 -2.0302 -2.0302 0.3604 0.3607 0.9280 0.9293 1.4049 1.4053 1.6852 1.6877 2.1176 2.1188 2.3444 2.3445 3.1150 3.1151 3.1242 3.1249 9.5978 9.5988 10.4528 10.4536 11.9459 11.9467 12.0276 12.0278 k = 0.0517 0.0500 0.5930 ( 9485 PWs) bands (ev): -40.7546 -40.7546 -40.7407 -40.7407 -39.7496 -39.7496 -39.7209 -39.7209 -17.6590 -17.6590 -14.3548 -14.3548 -14.0757 -14.0757 -13.7708 -13.7708 -4.5313 -4.5312 -2.6727 -2.6724 -2.6551 -2.6550 -2.0324 -2.0324 0.3617 0.3620 0.9296 0.9313 1.4084 1.4088 1.6748 1.6778 2.1252 2.1265 2.3451 2.3453 3.1163 3.1163 3.1251 3.1260 9.5904 9.5916 10.4606 10.4616 11.9379 11.9388 12.0302 12.0305 k = 0.0621 0.0600 0.5930 ( 9481 PWs) bands (ev): -40.7546 -40.7546 -40.7407 -40.7407 -39.7495 -39.7495 -39.7210 -39.7210 -17.6594 -17.6594 -14.3545 -14.3545 -14.0767 -14.0767 -13.7698 -13.7698 -4.5288 -4.5287 -2.6768 -2.6764 -2.6553 -2.6552 -2.0351 -2.0351 0.3632 0.3636 0.9316 0.9336 1.4124 1.4130 1.6630 1.6665 2.1338 2.1353 2.3460 2.3462 3.1178 3.1179 3.1263 3.1274 9.5811 9.5824 10.4702 10.4713 11.9286 11.9297 12.0334 12.0337 k = 0.0724 0.0700 0.5930 ( 9477 PWs) bands (ev): -40.7545 -40.7545 -40.7408 -40.7408 -39.7494 -39.7494 -39.7211 -39.7211 -17.6599 -17.6598 -14.3541 -14.3541 -14.0779 -14.0779 -13.7686 -13.7686 -4.5259 -4.5258 -2.6815 -2.6811 -2.6556 -2.6554 -2.0384 -2.0384 0.3651 0.3656 0.9340 0.9363 1.4170 1.4176 1.6500 1.6540 2.1431 2.1447 2.3472 2.3474 3.1197 3.1197 3.1278 3.1290 9.5697 9.5712 10.4815 10.4828 11.9185 11.9197 12.0371 12.0374 k = 0.0828 0.0801 0.5930 ( 9482 PWs) bands (ev): -40.7545 -40.7545 -40.7408 -40.7408 -39.7494 -39.7494 -39.7212 -39.7212 -17.6603 -17.6603 -14.3537 -14.3537 -14.0793 -14.0793 -13.7673 -13.7673 -4.5226 -4.5225 -2.6867 -2.6863 -2.6558 -2.6556 -2.0424 -2.0423 0.3674 0.3679 0.9367 0.9393 1.4221 1.4227 1.6362 1.6406 2.1530 2.1547 2.3486 2.3489 3.1218 3.1218 3.1297 3.1311 9.5561 9.5576 10.4945 10.4959 11.9078 11.9091 12.0413 12.0417 k = 0.0931 0.0901 0.5930 ( 9483 PWs) bands (ev): -40.7544 -40.7544 -40.7409 -40.7409 -39.7492 -39.7492 -39.7213 -39.7213 -17.6609 -17.6609 -14.3532 -14.3532 -14.0809 -14.0809 -13.7658 -13.7658 -4.5191 -4.5189 -2.6924 -2.6920 -2.6561 -2.6559 -2.0470 -2.0470 0.3701 0.3706 0.9397 0.9426 1.4274 1.4282 1.6219 1.6266 2.1631 2.1649 2.3504 2.3507 3.1241 3.1241 3.1320 3.1335 9.5401 9.5418 10.5090 10.5105 11.8967 11.8981 12.0460 12.0465 k = 0.1035 0.1001 0.5930 ( 9487 PWs) bands (ev): -40.7544 -40.7544 -40.7409 -40.7409 -39.7491 -39.7491 -39.7214 -39.7214 -17.6615 -17.6615 -14.3526 -14.3526 -14.0826 -14.0826 -13.7641 -13.7641 -4.5152 -4.5151 -2.6984 -2.6980 -2.6564 -2.6562 -2.0524 -2.0523 0.3732 0.3738 0.9431 0.9463 1.4330 1.4338 1.6073 1.6124 2.1733 2.1751 2.3525 2.3528 3.1267 3.1267 3.1347 3.1364 9.5217 9.5234 10.5248 10.5264 11.8854 11.8870 12.0512 12.0517 k = 0.1138 0.1101 0.5930 ( 9495 PWs) bands (ev): -40.7543 -40.7543 -40.7410 -40.7410 -39.7490 -39.7490 -39.7215 -39.7215 -17.6622 -17.6622 -14.3520 -14.3520 -14.0844 -14.0844 -13.7623 -13.7623 -4.5111 -4.5110 -2.7047 -2.7042 -2.6568 -2.6565 -2.0586 -2.0585 0.3768 0.3774 0.9467 0.9503 1.4387 1.4395 1.5927 1.5980 2.1834 2.1853 2.3550 2.3553 3.1294 3.1295 3.1380 3.1397 9.5009 9.5026 10.5418 10.5433 11.8743 11.8759 12.0568 12.0573 k = 0.1242 0.1201 0.5930 ( 9494 PWs) bands (ev): -40.7542 -40.7542 -40.7411 -40.7411 -39.7488 -39.7488 -39.7216 -39.7216 -17.6629 -17.6629 -14.3514 -14.3514 -14.0864 -14.0864 -13.7603 -13.7603 -4.5068 -4.5067 -2.7112 -2.7107 -2.6571 -2.6569 -2.0655 -2.0654 0.3809 0.3816 0.9507 0.9545 1.4444 1.4451 1.5782 1.5838 2.1934 2.1952 2.3579 2.3583 3.1324 3.1326 3.1419 3.1436 9.4776 9.4793 10.5595 10.5611 11.8633 11.8650 12.0628 12.0634 k = 0.1345 0.1301 0.5930 ( 9504 PWs) bands (ev): -40.7542 -40.7542 -40.7412 -40.7412 -39.7487 -39.7487 -39.7217 -39.7217 -17.6637 -17.6637 -14.3507 -14.3507 -14.0885 -14.0885 -13.7582 -13.7582 -4.5023 -4.5022 -2.7178 -2.7173 -2.6575 -2.6573 -2.0733 -2.0731 0.3855 0.3862 0.9548 0.9590 1.4498 1.4505 1.5642 1.5699 2.2029 2.2048 2.3613 2.3617 3.1355 3.1358 3.1464 3.1481 9.4518 9.4536 10.5778 10.5793 11.8526 11.8543 12.0691 12.0698 k = 0.1449 0.1401 0.5930 ( 9510 PWs) bands (ev): -40.7541 -40.7541 -40.7413 -40.7413 -39.7485 -39.7485 -39.7219 -39.7219 -17.6645 -17.6645 -14.3499 -14.3499 -14.0907 -14.0907 -13.7559 -13.7559 -4.4978 -4.4976 -2.7243 -2.7238 -2.6580 -2.6577 -2.0819 -2.0817 0.3906 0.3914 0.9593 0.9637 1.4550 1.4556 1.5506 1.5566 2.2121 2.2139 2.3652 2.3656 3.1388 3.1393 3.1514 3.1532 9.4238 9.4255 10.5962 10.5977 11.8420 11.8437 12.0758 12.0765 k = 0.1552 0.1501 0.5930 ( 9497 PWs) bands (ev): -40.7540 -40.7540 -40.7413 -40.7413 -39.7484 -39.7484 -39.7220 -39.7220 -17.6654 -17.6654 -14.3492 -14.3492 -14.0931 -14.0931 -13.7536 -13.7536 -4.4932 -4.4930 -2.7308 -2.7303 -2.6585 -2.6582 -2.0914 -2.0911 0.3964 0.3972 0.9639 0.9686 1.4597 1.4602 1.5378 1.5438 2.2208 2.2226 2.3697 2.3701 3.1424 3.1429 3.1571 3.1588 9.3935 9.3951 10.6144 10.6159 11.8314 11.8331 12.0828 12.0835 k = 0.1656 0.1601 0.5930 ( 9501 PWs) bands (ev): -40.7539 -40.7539 -40.7414 -40.7414 -39.7482 -39.7482 -39.7222 -39.7222 -17.6663 -17.6663 -14.3484 -14.3484 -14.0955 -14.0955 -13.7510 -13.7510 -4.4886 -4.4884 -2.7372 -2.7367 -2.6590 -2.6587 -2.1017 -2.1014 0.4027 0.4035 0.9687 0.9736 1.4638 1.4641 1.5259 1.5319 2.2290 2.2308 2.3748 2.3751 3.1462 3.1469 3.1633 3.1650 9.3611 9.3626 10.6321 10.6335 11.8207 11.8224 12.0900 12.0908 k = 0.1759 0.1701 0.5930 ( 9499 PWs) bands (ev): -40.7538 -40.7538 -40.7415 -40.7415 -39.7480 -39.7480 -39.7224 -39.7224 -17.6673 -17.6673 -14.3476 -14.3475 -14.0981 -14.0981 -13.7484 -13.7484 -4.4840 -4.4839 -2.7433 -2.7429 -2.6596 -2.6593 -2.1129 -2.1125 0.4097 0.4105 0.9737 0.9788 1.4672 1.4672 1.5151 1.5209 2.2366 2.2383 2.3804 2.3808 3.1504 3.1512 3.1700 3.1717 9.3268 9.3282 10.6490 10.6503 11.8095 11.8111 12.0974 12.0982 k = 0.1863 0.1801 0.5930 ( 9499 PWs) bands (ev): -40.7537 -40.7537 -40.7416 -40.7416 -39.7478 -39.7478 -39.7225 -39.7225 -17.6683 -17.6683 -14.3467 -14.3467 -14.1007 -14.1007 -13.7457 -13.7457 -4.4795 -4.4794 -2.7492 -2.7488 -2.6602 -2.6599 -2.1249 -2.1244 0.4173 0.4181 0.9788 0.9841 1.4693 1.4698 1.5055 1.5109 2.2436 2.2453 2.3867 2.3871 3.1548 3.1557 3.1773 3.1789 9.2907 9.2920 10.6647 10.6659 11.7975 11.7991 12.1048 12.1057 k = 0.1966 0.1901 0.5930 ( 9501 PWs) bands (ev): -40.7536 -40.7536 -40.7417 -40.7417 -39.7476 -39.7476 -39.7227 -39.7227 -17.6693 -17.6693 -14.3458 -14.3458 -14.1033 -14.1033 -13.7429 -13.7429 -4.4752 -4.4750 -2.7547 -2.7543 -2.6608 -2.6605 -2.1378 -2.1372 0.4255 0.4263 0.9840 0.9894 1.4700 1.4713 1.4975 1.5022 2.2501 2.2518 2.3937 2.3940 3.1596 3.1606 3.1851 3.1867 9.2531 9.2543 10.6790 10.6800 11.7845 11.7860 12.1124 12.1133 k = 0.2070 0.2001 0.5930 ( 9502 PWs) bands (ev): -40.7535 -40.7535 -40.7418 -40.7418 -39.7474 -39.7474 -39.7229 -39.7229 -17.6704 -17.6704 -14.3449 -14.3449 -14.1061 -14.1060 -13.7400 -13.7400 -4.4710 -4.4708 -2.7599 -2.7595 -2.6615 -2.6612 -2.1513 -2.1507 0.4343 0.4351 0.9893 0.9948 1.4691 1.4717 1.4912 1.4947 2.2559 2.2576 2.4012 2.4015 3.1648 3.1658 3.1933 3.1948 9.2141 9.2152 10.6917 10.6926 11.7701 11.7716 12.1199 12.1208 k = 0.2173 0.2101 0.5930 ( 9501 PWs) bands (ev): -40.7534 -40.7534 -40.7419 -40.7419 -39.7472 -39.7472 -39.7230 -39.7230 -17.6715 -17.6715 -14.3440 -14.3440 -14.1088 -14.1088 -13.7370 -13.7370 -4.4670 -4.4668 -2.7646 -2.7643 -2.6623 -2.6619 -2.1657 -2.1650 0.4438 0.4446 0.9946 1.0002 1.4668 1.4708 1.4866 1.4886 2.2612 2.2628 2.4094 2.4097 3.1703 3.1714 3.2019 3.2034 9.1740 9.1750 10.7026 10.7033 11.7541 11.7556 12.1274 12.1284 k = 0.2277 0.2202 0.5930 ( 9500 PWs) bands (ev): -40.7533 -40.7533 -40.7420 -40.7420 -39.7470 -39.7470 -39.7232 -39.7232 -17.6726 -17.6726 -14.3431 -14.3431 -14.1116 -14.1116 -13.7340 -13.7340 -4.4632 -4.4630 -2.7689 -2.7687 -2.6630 -2.6627 -2.1807 -2.1800 0.4538 0.4547 1.0000 1.0055 1.4636 1.4688 1.4831 1.4839 2.2659 2.2675 2.4182 2.4184 3.1761 3.1773 3.2108 3.2124 9.1330 9.1339 10.7115 10.7121 11.7366 11.7381 12.1348 12.1357 k = 0.2380 0.2302 0.5930 ( 9501 PWs) bands (ev): -40.7532 -40.7532 -40.7422 -40.7422 -39.7468 -39.7468 -39.7234 -39.7234 -17.6737 -17.6737 -14.3421 -14.3421 -14.1144 -14.1144 -13.7309 -13.7309 -4.4597 -4.4595 -2.7727 -2.7725 -2.6638 -2.6635 -2.1963 -2.1955 0.4645 0.4654 1.0054 1.0108 1.4601 1.4659 1.4799 1.4801 2.2701 2.2716 2.4275 2.4278 3.1824 3.1835 3.2201 3.2217 9.0914 9.0921 10.7184 10.7188 11.7175 11.7189 12.1420 12.1429 k = 0.2484 0.2402 0.5930 ( 9504 PWs) bands (ev): -40.7531 -40.7531 -40.7423 -40.7423 -39.7466 -39.7466 -39.7236 -39.7236 -17.6749 -17.6749 -14.3412 -14.3412 -14.1172 -14.1172 -13.7277 -13.7277 -4.4564 -4.4563 -2.7761 -2.7759 -2.6647 -2.6643 -2.2125 -2.2117 0.4758 0.4766 1.0107 1.0161 1.4569 1.4626 1.4767 1.4768 2.2737 2.2752 2.4374 2.4376 3.1889 3.1901 3.2297 3.2312 9.0492 9.0498 10.7232 10.7234 11.6969 11.6984 12.1489 12.1499 k = 0.2587 0.2502 0.5930 ( 9499 PWs) bands (ev): -40.7530 -40.7530 -40.7424 -40.7424 -39.7464 -39.7464 -39.7238 -39.7238 -17.6760 -17.6760 -14.3402 -14.3402 -14.1200 -14.1199 -13.7246 -13.7246 -4.4535 -4.4533 -2.7789 -2.7788 -2.6656 -2.6652 -2.2292 -2.2283 0.4876 0.4885 1.0160 1.0212 1.4537 1.4587 1.4736 1.4742 2.2769 2.2783 2.4477 2.4479 3.1958 3.1971 3.2395 3.2409 9.0069 9.0074 10.7258 10.7258 11.6752 11.6768 12.1555 12.1565 k = 0.2691 0.2602 0.5930 ( 9506 PWs) bands (ev): -40.7529 -40.7529 -40.7425 -40.7425 -39.7461 -39.7461 -39.7239 -39.7239 -17.6772 -17.6772 -14.3393 -14.3393 -14.1227 -14.1227 -13.7214 -13.7214 -4.4508 -4.4507 -2.7812 -2.7812 -2.6665 -2.6661 -2.2462 -2.2453 0.5000 0.5008 1.0213 1.0263 1.4502 1.4540 1.4710 1.4725 2.2797 2.2810 2.4585 2.4586 3.2031 3.2043 3.2494 3.2508 8.9645 8.9649 10.7261 10.7263 11.6528 11.6544 12.1618 12.1627 k = 0.2794 0.2702 0.5930 ( 9505 PWs) bands (ev): -40.7528 -40.7528 -40.7426 -40.7426 -39.7459 -39.7459 -39.7241 -39.7241 -17.6783 -17.6783 -14.3384 -14.3384 -14.1254 -14.1254 -13.7182 -13.7182 -4.4485 -4.4483 -2.7831 -2.7831 -2.6674 -2.6671 -2.2636 -2.2626 0.5129 0.5137 1.0264 1.0313 1.4455 1.4481 1.4695 1.4721 2.2820 2.2833 2.4695 2.4696 3.2106 3.2118 3.2594 3.2607 8.9223 8.9226 10.7241 10.7246 11.6299 11.6316 12.1676 12.1686 k = 0.2898 0.2802 0.5930 ( 9515 PWs) bands (ev): -40.7527 -40.7527 -40.7427 -40.7427 -39.7457 -39.7457 -39.7243 -39.7243 -17.6795 -17.6795 -14.3374 -14.3374 -14.1281 -14.1281 -13.7151 -13.7151 -4.4464 -4.4463 -2.7845 -2.7844 -2.6684 -2.6681 -2.2812 -2.2802 0.5262 0.5270 1.0315 1.0361 1.4394 1.4409 1.4697 1.4730 2.2840 2.2852 2.4809 2.4809 3.2184 3.2196 3.2694 3.2707 8.8805 8.8807 10.7200 10.7206 11.6070 11.6088 12.1729 12.1739 k = 0.3001 0.2902 0.5930 ( 9523 PWs) bands (ev): -40.7526 -40.7526 -40.7428 -40.7428 -39.7455 -39.7455 -39.7245 -39.7245 -17.6807 -17.6807 -14.3365 -14.3365 -14.1307 -14.1307 -13.7119 -13.7119 -4.4447 -4.4446 -2.7855 -2.7853 -2.6693 -2.6690 -2.2990 -2.2979 0.5399 0.5406 1.0365 1.0408 1.4317 1.4326 1.4715 1.4751 2.2856 2.2868 2.4924 2.4924 3.2264 3.2277 3.2793 3.2806 8.8394 8.8395 10.7137 10.7145 11.5846 11.5865 12.1778 12.1787 k = 0.3105 0.3002 0.5930 ( 9523 PWs) bands (ev): -40.7525 -40.7525 -40.7429 -40.7429 -39.7453 -39.7453 -39.7246 -39.7246 -17.6818 -17.6818 -14.3357 -14.3357 -14.1332 -14.1332 -13.7088 -13.7088 -4.4433 -4.4432 -2.7860 -2.7857 -2.6703 -2.6701 -2.3168 -2.3157 0.5539 0.5547 1.0414 1.0454 1.4228 1.4233 1.4746 1.4783 2.2870 2.2881 2.5040 2.5041 3.2347 3.2359 3.2892 3.2904 8.7991 8.7991 10.7053 10.7064 11.5629 11.5649 12.1820 12.1829 k = 0.3208 0.3102 0.5930 ( 9523 PWs) bands (ev): -40.7524 -40.7524 -40.7430 -40.7430 -39.7451 -39.7451 -39.7248 -39.7248 -17.6830 -17.6830 -14.3348 -14.3348 -14.1357 -14.1357 -13.7057 -13.7057 -4.4422 -4.4421 -2.7860 -2.7858 -2.6714 -2.6711 -2.3346 -2.3335 0.5683 0.5690 1.0462 1.0498 1.4129 1.4131 1.4788 1.4823 2.2881 2.2891 2.5157 2.5157 3.2431 3.2444 3.2989 3.3000 8.7597 8.7598 10.6949 10.6962 11.5424 11.5445 12.1857 12.1866 k = 0.3312 0.3202 0.5930 ( 9521 PWs) bands (ev): -40.7524 -40.7524 -40.7431 -40.7431 -39.7449 -39.7449 -39.7250 -39.7250 -17.6841 -17.6841 -14.3340 -14.3340 -14.1381 -14.1380 -13.7027 -13.7027 -4.4413 -4.4412 -2.7857 -2.7854 -2.6724 -2.6721 -2.3523 -2.3511 0.5828 0.5835 1.0508 1.0541 1.4021 1.4021 1.4839 1.4872 2.2891 2.2900 2.5273 2.5274 3.2517 3.2529 3.3083 3.3094 8.7215 8.7217 10.6827 10.6841 11.5233 11.5254 12.1888 12.1896 k = 0.3415 0.3302 0.5930 ( 9517 PWs) bands (ev): -40.7523 -40.7523 -40.7432 -40.7432 -39.7447 -39.7447 -39.7251 -39.7251 -17.6852 -17.6852 -14.3332 -14.3332 -14.1403 -14.1403 -13.6998 -13.6998 -4.4408 -4.4406 -2.7850 -2.7847 -2.6734 -2.6731 -2.3697 -2.3685 0.5974 0.5981 1.0553 1.0583 1.3905 1.3905 1.4898 1.4928 2.2898 2.2907 2.5389 2.5389 3.2603 3.2615 3.3175 3.3186 8.6848 8.6849 10.6689 10.6703 11.5058 11.5079 12.1912 12.1921 k = 0.3519 0.3402 0.5930 ( 9509 PWs) bands (ev): -40.7522 -40.7522 -40.7433 -40.7433 -39.7446 -39.7446 -39.7252 -39.7252 -17.6862 -17.6862 -14.3324 -14.3324 -14.1425 -14.1425 -13.6969 -13.6969 -4.4404 -4.4403 -2.7840 -2.7836 -2.6744 -2.6742 -2.3868 -2.3856 0.6121 0.6127 1.0597 1.0623 1.3783 1.3785 1.4962 1.4989 2.2905 2.2912 2.5503 2.5503 3.2689 3.2701 3.3264 3.3274 8.6496 8.6498 10.6535 10.6551 11.4900 11.4921 12.1931 12.1939 k = 0.3622 0.3502 0.5930 ( 9507 PWs) bands (ev): -40.7521 -40.7521 -40.7434 -40.7434 -39.7444 -39.7444 -39.7254 -39.7254 -17.6873 -17.6873 -14.3317 -14.3317 -14.1445 -14.1445 -13.6941 -13.6941 -4.4403 -4.4402 -2.7827 -2.7823 -2.6755 -2.6752 -2.4035 -2.4023 0.6267 0.6273 1.0639 1.0661 1.3658 1.3660 1.5031 1.5055 2.2910 2.2917 2.5615 2.5615 3.2775 3.2786 3.3349 3.3358 8.6161 8.6163 10.6370 10.6386 11.4760 11.4781 12.1944 12.1951 k = 0.3726 0.3603 0.5930 ( 9509 PWs) bands (ev): -40.7520 -40.7520 -40.7435 -40.7435 -39.7442 -39.7442 -39.7255 -39.7255 -17.6883 -17.6883 -14.3310 -14.3310 -14.1464 -14.1464 -13.6914 -13.6914 -4.4405 -4.4404 -2.7812 -2.7807 -2.6765 -2.6763 -2.4196 -2.4184 0.6411 0.6416 1.0679 1.0698 1.3530 1.3532 1.5104 1.5123 2.2915 2.2921 2.5724 2.5724 3.2860 3.2870 3.3431 3.3439 8.5845 8.5847 10.6196 10.6212 11.4638 11.4659 12.1951 12.1958 k = 0.3829 0.3703 0.5930 ( 9513 PWs) bands (ev): -40.7520 -40.7520 -40.7436 -40.7436 -39.7441 -39.7441 -39.7256 -39.7256 -17.6892 -17.6892 -14.3303 -14.3303 -14.1482 -14.1481 -13.6889 -13.6889 -4.4408 -4.4407 -2.7795 -2.7790 -2.6775 -2.6773 -2.4351 -2.4340 0.6551 0.6556 1.0717 1.0734 1.3402 1.3404 1.5178 1.5194 2.2920 2.2924 2.5830 2.5831 3.2943 3.2953 3.3507 3.3515 8.5549 8.5551 10.6016 10.6031 11.4533 11.4553 12.1952 12.1959 k = 0.3933 0.3803 0.5930 ( 9519 PWs) bands (ev): -40.7519 -40.7519 -40.7436 -40.7436 -39.7439 -39.7439 -39.7257 -39.7257 -17.6902 -17.6902 -14.3297 -14.3297 -14.1498 -14.1498 -13.6865 -13.6864 -4.4412 -4.4411 -2.7776 -2.7771 -2.6784 -2.6783 -2.4499 -2.4488 0.6687 0.6692 1.0754 1.0767 1.3274 1.3276 1.5252 1.5265 2.2925 2.2928 2.5932 2.5933 3.3024 3.3033 3.3580 3.3586 8.5274 8.5276 10.5832 10.5847 11.4445 11.4464 12.1949 12.1955 k = 0.4036 0.3903 0.5930 ( 9525 PWs) bands (ev): -40.7519 -40.7519 -40.7437 -40.7437 -39.7438 -39.7438 -39.7258 -39.7258 -17.6911 -17.6911 -14.3292 -14.3292 -14.1512 -14.1512 -13.6841 -13.6841 -4.4419 -4.4418 -2.7757 -2.7752 -2.6794 -2.6792 -2.4638 -2.4628 0.6816 0.6820 1.0788 1.0799 1.3149 1.3151 1.5325 1.5335 2.2929 2.2932 2.6031 2.6031 3.3102 3.3111 3.3647 3.3653 8.5022 8.5024 10.5650 10.5664 11.4373 11.4391 12.1941 12.1947 k = 0.4140 0.4003 0.5930 ( 9516 PWs) bands (ev): -40.7518 -40.7518 -40.7438 -40.7438 -39.7437 -39.7437 -39.7259 -39.7259 -17.6919 -17.6919 -14.3287 -14.3287 -14.1526 -14.1526 -13.6820 -13.6820 -4.4426 -4.4425 -2.7738 -2.7733 -2.6803 -2.6802 -2.4768 -2.4758 0.6937 0.6941 1.0820 1.0828 1.3029 1.3031 1.5397 1.5403 2.2935 2.2936 2.6125 2.6126 3.3176 3.3185 3.3710 3.3715 8.4793 8.4795 10.5471 10.5483 11.4315 11.4331 12.1929 12.1935 k = 0.4243 0.4103 0.5930 ( 9526 PWs) bands (ev): -40.7518 -40.7518 -40.7438 -40.7438 -39.7436 -39.7436 -39.7260 -39.7260 -17.6927 -17.6927 -14.3283 -14.3283 -14.1537 -14.1537 -13.6800 -13.6800 -4.4435 -4.4434 -2.7719 -2.7715 -2.6812 -2.6811 -2.4887 -2.4878 0.7047 0.7051 1.0849 1.0855 1.2915 1.2918 1.5465 1.5469 2.2941 2.2941 2.6214 2.6215 3.3246 3.3254 3.3768 3.3772 8.4588 8.4590 10.5299 10.5309 11.4270 11.4285 12.1914 12.1919 k = 0.4347 0.4203 0.5930 ( 9535 PWs) bands (ev): -40.7517 -40.7517 -40.7439 -40.7439 -39.7435 -39.7435 -39.7261 -39.7261 -17.6934 -17.6934 -14.3279 -14.3279 -14.1547 -14.1547 -13.6781 -13.6781 -4.4444 -4.4444 -2.7702 -2.7699 -2.6821 -2.6820 -2.4994 -2.4986 0.7146 0.7149 1.0876 1.0880 1.2811 1.2813 1.5529 1.5530 2.2946 2.2947 2.6298 2.6299 3.3312 3.3319 3.3820 3.3824 8.4409 8.4410 10.5136 10.5145 11.4237 11.4250 12.1896 12.1900 k = 0.4450 0.4303 0.5930 ( 9534 PWs) bands (ev): -40.7517 -40.7517 -40.7439 -40.7439 -39.7434 -39.7434 -39.7261 -39.7261 -17.6941 -17.6941 -14.3276 -14.3276 -14.1556 -14.1556 -13.6764 -13.6764 -4.4455 -4.4454 -2.7687 -2.7685 -2.6829 -2.6828 -2.5087 -2.5082 0.7229 0.7232 1.0901 1.0902 1.2718 1.2720 1.5586 1.5588 2.2952 2.2955 2.6377 2.6378 3.3373 3.3379 3.3868 3.3871 8.4254 8.4255 10.4985 10.4992 11.4216 11.4226 12.1876 12.1879 k = 0.4554 0.4403 0.5930 ( 9531 PWs) bands (ev): -40.7517 -40.7517 -40.7440 -40.7440 -39.7433 -39.7433 -39.7262 -39.7262 -17.6947 -17.6947 -14.3273 -14.3273 -14.1562 -14.1562 -13.6749 -13.6749 -4.4466 -4.4465 -2.7675 -2.7674 -2.6837 -2.6836 -2.5167 -2.5163 0.7297 0.7298 1.0922 1.0922 1.2639 1.2641 1.5636 1.5640 2.2959 2.2963 2.6450 2.6452 3.3428 3.3434 3.3911 3.3913 8.4126 8.4126 10.4850 10.4854 11.4203 11.4211 12.1853 12.1856 k = 0.4657 0.4503 0.5930 ( 9531 PWs) bands (ev): -40.7517 -40.7517 -40.7440 -40.7440 -39.7433 -39.7433 -39.7262 -39.7262 -17.6953 -17.6953 -14.3271 -14.3271 -14.1567 -14.1567 -13.6735 -13.6735 -4.4478 -4.4477 -2.7667 -2.7667 -2.6844 -2.6843 -2.5231 -2.5229 0.7345 0.7346 1.0939 1.0941 1.2575 1.2577 1.5678 1.5686 2.2967 2.2972 2.6518 2.6519 3.3477 3.3482 3.3949 3.3950 8.4023 8.4023 10.4730 10.4733 11.4200 11.4206 12.1829 12.1832 k = 0.5000 0.4835-0.0625 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8552 -17.8552 -14.3598 -14.3598 -14.1318 -14.1318 -13.4298 -13.4298 -4.3864 -4.3864 -2.6518 -2.6518 -2.2366 -2.2366 -2.2305 -2.2305 0.5009 0.5009 0.7502 0.7502 1.1159 1.1159 1.2365 1.2365 2.7181 2.7181 2.8902 2.8902 2.9565 2.9565 3.1103 3.1103 8.1902 8.1902 11.6932 11.6932 12.4672 12.4672 12.5175 12.5175 k = 0.5072 0.4760-0.0625 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8552 -17.8552 -14.3599 -14.3599 -14.1317 -14.1317 -13.4298 -13.4298 -4.3865 -4.3865 -2.6517 -2.6515 -2.2399 -2.2338 -2.2332 -2.2272 0.5005 0.5006 0.7501 0.7503 1.1149 1.1166 1.2365 1.2382 2.7180 2.7182 2.8876 2.8902 2.9562 2.9586 3.1097 3.1099 8.1906 8.1907 11.6926 11.6927 12.4667 12.4668 12.5158 12.5160 k = 0.5144 0.4686-0.0625 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8551 -17.8551 -14.3601 -14.3601 -14.1316 -14.1316 -13.4298 -13.4298 -4.3869 -4.3869 -2.6512 -2.6508 -2.2431 -2.2369 -2.2297 -2.2237 0.4994 0.4996 0.7500 0.7504 1.1138 1.1171 1.2382 1.2415 2.7179 2.7185 2.8829 2.8876 2.9578 2.9622 3.1080 3.1084 8.1918 8.1921 11.6910 11.6911 12.4652 12.4653 12.5109 12.5113 k = 0.4856-0.5022 0.0000 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8551 -17.8551 -14.3601 -14.3601 -14.1316 -14.1316 -13.4298 -13.4298 -4.3869 -4.3869 -2.6512 -2.6508 -2.2431 -2.2369 -2.2297 -2.2237 0.4994 0.4996 0.7500 0.7504 1.1138 1.1171 1.2382 1.2415 2.7179 2.7185 2.8829 2.8876 2.9578 2.9622 3.1080 3.1084 8.1918 8.1921 11.6910 11.6911 12.4652 12.4653 12.5109 12.5113 k = 0.4757-0.4920 0.0000 ( 9508 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8549 -17.8549 -14.3606 -14.3605 -14.1314 -14.1314 -13.4298 -13.4298 -4.3879 -4.3879 -2.6498 -2.6492 -2.2471 -2.2409 -2.2246 -2.2187 0.4967 0.4971 0.7499 0.7505 1.1121 1.1174 1.2432 1.2486 2.7179 2.7188 2.8739 2.8806 2.9623 2.9685 3.1039 3.1047 8.1949 8.1954 11.6870 11.6872 12.4613 12.4614 12.4993 12.5000 k = 0.4658-0.4817 0.0000 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8546 -17.8546 -14.3612 -14.3612 -14.1310 -14.1310 -13.4299 -13.4299 -4.3895 -4.3894 -2.6477 -2.6468 -2.2509 -2.2447 -2.2192 -2.2135 0.4928 0.4934 0.7498 0.7506 1.1108 1.1176 1.2512 1.2581 2.7180 2.7193 2.8629 2.8708 2.9684 2.9756 3.0978 3.0990 8.1996 8.2002 11.6810 11.6813 12.4550 12.4552 12.4827 12.4836 k = 0.4559-0.4715 0.0000 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8542 -17.8542 -14.3622 -14.3621 -14.1305 -14.1305 -13.4299 -13.4299 -4.3915 -4.3915 -2.6449 -2.6437 -2.2544 -2.2482 -2.2137 -2.2081 0.4877 0.4884 0.7497 0.7507 1.1100 1.1180 1.2615 1.2697 2.7182 2.7198 2.8506 2.8592 2.9749 2.9826 3.0899 3.0916 8.2057 8.2065 11.6728 11.6732 12.4445 12.4451 12.4631 12.4640 k = 0.4460-0.4612 0.0000 ( 9512 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8537 -17.8537 -14.3633 -14.3632 -14.1299 -14.1299 -13.4300 -13.4300 -4.3941 -4.3941 -2.6413 -2.6399 -2.2575 -2.2513 -2.2080 -2.2025 0.4815 0.4823 0.7495 0.7507 1.1101 1.1190 1.2740 1.2831 2.7184 2.7205 2.8374 2.8465 2.9812 2.9891 3.0803 3.0826 8.2132 8.2142 11.6624 11.6629 12.4253 12.4266 12.4453 12.4462 k = 0.4361-0.4510 0.0000 ( 9514 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8532 -17.8531 -14.3646 -14.3645 -14.1293 -14.1292 -13.4301 -13.4301 -4.3972 -4.3972 -2.6370 -2.6353 -2.2603 -2.2542 -2.2021 -2.1967 0.4742 0.4752 0.7492 0.7506 1.1113 1.1208 1.2881 1.2978 2.7187 2.7211 2.8236 2.8329 2.9868 2.9947 3.0691 3.0723 8.2219 8.2230 11.6497 11.6503 12.3968 12.3983 12.4303 12.4312 k = 0.4262-0.4407 0.0000 ( 9508 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7142 -39.7142 -17.8525 -17.8525 -14.3660 -14.3659 -14.1285 -14.1284 -13.4302 -13.4302 -4.4009 -4.4009 -2.6320 -2.6301 -2.2627 -2.2567 -2.1960 -2.1908 0.4661 0.4671 0.7488 0.7503 1.1138 1.1237 1.3035 1.3138 2.7189 2.7218 2.8093 2.8188 2.9912 2.9990 3.0568 3.0612 8.2317 8.2329 11.6345 11.6352 12.3629 12.3645 12.4144 12.4152 k = 0.4162-0.4305 0.0000 ( 9504 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7142 -39.7142 -17.8517 -17.8517 -14.3676 -14.3675 -14.1277 -14.1276 -13.4303 -13.4303 -4.4052 -4.4051 -2.6263 -2.6242 -2.2648 -2.2588 -2.1897 -2.1846 0.4572 0.4583 0.7483 0.7499 1.1177 1.1279 1.3202 1.3309 2.7191 2.7225 2.7947 2.8043 2.9936 3.0013 3.0440 3.0503 8.2423 8.2437 11.6170 11.6177 12.3250 12.3265 12.3959 12.3968 k = 0.4063-0.4202 0.0000 ( 9496 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7142 -39.7142 -17.8509 -17.8509 -14.3693 -14.3693 -14.1268 -14.1267 -13.4304 -13.4304 -4.4100 -4.4099 -2.6200 -2.6176 -2.2664 -2.2606 -2.1832 -2.1783 0.4476 0.4487 0.7476 0.7494 1.1229 1.1333 1.3378 1.3487 2.7193 2.7230 2.7799 2.7896 2.9923 3.0000 3.0324 3.0412 8.2536 8.2551 11.5968 11.5977 12.2835 12.2850 12.3747 12.3755 k = 0.3964-0.4100 0.0000 ( 9494 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7142 -39.7142 -17.8500 -17.8500 -14.3712 -14.3711 -14.1259 -14.1258 -13.4305 -13.4305 -4.4154 -4.4153 -2.6130 -2.6105 -2.2676 -2.2620 -2.1766 -2.1718 0.4374 0.4385 0.7468 0.7486 1.1296 1.1401 1.3561 1.3673 2.7191 2.7234 2.7652 2.7748 2.9855 2.9926 3.0251 3.0356 8.2654 8.2670 11.5742 11.5750 12.2386 12.2401 12.3504 12.3513 k = 0.3865-0.3997 0.0000 ( 9490 PWs) bands (ev): -40.7624 -40.7624 -40.7555 -40.7555 -39.7320 -39.7320 -39.7141 -39.7141 -17.8490 -17.8490 -14.3731 -14.3730 -14.1250 -14.1249 -13.4307 -13.4307 -4.4214 -4.4213 -2.6054 -2.6027 -2.2685 -2.2631 -2.1698 -2.1652 0.4267 0.4278 0.7458 0.7478 1.1378 1.1483 1.3751 1.3865 2.7185 2.7233 2.7509 2.7602 2.9734 2.9790 3.0226 3.0332 8.2774 8.2791 11.5490 11.5499 12.1905 12.1919 12.3232 12.3242 k = 0.3766-0.3895 0.0000 ( 9480 PWs) bands (ev): -40.7625 -40.7625 -40.7554 -40.7554 -39.7320 -39.7320 -39.7141 -39.7141 -17.8479 -17.8479 -14.3751 -14.3750 -14.1241 -14.1240 -13.4308 -13.4308 -4.4279 -4.4279 -2.5973 -2.5945 -2.2689 -2.2637 -2.1628 -2.1583 0.4156 0.4168 0.7447 0.7468 1.1472 1.1578 1.3947 1.4061 2.7165 2.7221 2.7380 2.7463 2.9579 2.9621 3.0221 3.0324 8.2894 8.2912 11.5212 11.5222 12.1394 12.1408 12.2932 12.2942 k = 0.3667-0.3792 0.0000 ( 9478 PWs) bands (ev): -40.7625 -40.7625 -40.7554 -40.7554 -39.7321 -39.7321 -39.7141 -39.7141 -17.8468 -17.8468 -14.3771 -14.3770 -14.1232 -14.1231 -13.4310 -13.4310 -4.4351 -4.4350 -2.5886 -2.5857 -2.2689 -2.2640 -2.1557 -2.1513 0.4043 0.4054 0.7435 0.7457 1.1581 1.1686 1.4146 1.4262 2.7105 2.7175 2.7293 2.7351 2.9405 2.9436 3.0219 3.0318 8.3012 8.3031 11.4911 11.4920 12.0854 12.0867 12.2607 12.2617 k = 0.3568-0.3690 0.0000 ( 9480 PWs) bands (ev): -40.7626 -40.7626 -40.7553 -40.7553 -39.7321 -39.7321 -39.7141 -39.7141 -17.8456 -17.8456 -14.3791 -14.3790 -14.1224 -14.1222 -13.4312 -13.4312 -4.4429 -4.4428 -2.5795 -2.5765 -2.2684 -2.2639 -2.1483 -2.1441 0.3927 0.3938 0.7423 0.7445 1.1702 1.1806 1.4350 1.4466 2.6990 2.7078 2.7247 2.7298 2.9222 2.9245 3.0214 3.0310 8.3127 8.3146 11.4587 11.4596 12.0286 12.0299 12.2259 12.2269 k = 0.3469-0.3587 0.0000 ( 9478 PWs) bands (ev): -40.7626 -40.7626 -40.7553 -40.7553 -39.7322 -39.7322 -39.7140 -39.7140 -17.8444 -17.8443 -14.3811 -14.3810 -14.1215 -14.1214 -13.4314 -13.4314 -4.4513 -4.4512 -2.5699 -2.5668 -2.2676 -2.2635 -2.1408 -2.1366 0.3809 0.3820 0.7410 0.7432 1.1835 1.1939 1.4556 1.4673 2.6853 2.6948 2.7217 2.7276 2.9035 2.9053 3.0203 3.0297 8.3234 8.3254 11.4242 11.4251 11.9694 11.9706 12.1891 12.1902 k = 0.3370-0.3485 0.0000 ( 9490 PWs) bands (ev): -40.7627 -40.7627 -40.7552 -40.7552 -39.7322 -39.7322 -39.7140 -39.7140 -17.8431 -17.8431 -14.3831 -14.3830 -14.1208 -14.1207 -13.4316 -13.4316 -4.4602 -4.4601 -2.5600 -2.5569 -2.2664 -2.2626 -2.1330 -2.1289 0.3691 0.3702 0.7396 0.7419 1.1980 1.2083 1.4765 1.4882 2.6712 2.6808 2.7189 2.7256 2.8850 2.8864 3.0185 3.0277 8.3334 8.3354 11.3878 11.3887 11.9079 11.9091 12.1508 12.1519 k = 0.3270-0.3382 0.0000 ( 9487 PWs) bands (ev): -40.7628 -40.7628 -40.7551 -40.7551 -39.7323 -39.7323 -39.7139 -39.7139 -17.8417 -17.8417 -14.3851 -14.3849 -14.1201 -14.1200 -13.4318 -13.4318 -4.4697 -4.4696 -2.5497 -2.5466 -2.2648 -2.2615 -2.1250 -2.1209 0.3573 0.3584 0.7382 0.7406 1.2135 1.2238 1.4975 1.5093 2.6572 2.6668 2.7154 2.7229 2.8670 2.8684 3.0160 3.0250 8.3422 8.3443 11.3497 11.3506 11.8445 11.8457 12.1112 12.1124 k = 0.3171-0.3280 0.0000 ( 9489 PWs) bands (ev): -40.7629 -40.7629 -40.7550 -40.7550 -39.7324 -39.7324 -39.7139 -39.7139 -17.8404 -17.8404 -14.3869 -14.3868 -14.1195 -14.1194 -13.4321 -13.4320 -4.4798 -4.4797 -2.5391 -2.5360 -2.2628 -2.2601 -2.1168 -2.1127 0.3455 0.3466 0.7369 0.7393 1.2301 1.2403 1.5187 1.5305 2.6433 2.6529 2.7107 2.7189 2.8501 2.8518 3.0128 3.0216 8.3498 8.3519 11.3104 11.3113 11.7794 11.7806 12.0707 12.0719 k = 0.3072-0.3177 0.0000 ( 9489 PWs) bands (ev): -40.7630 -40.7630 -40.7549 -40.7549 -39.7325 -39.7325 -39.7138 -39.7138 -17.8390 -17.8390 -14.3887 -14.3886 -14.1190 -14.1189 -13.4323 -13.4323 -4.4904 -4.4902 -2.5283 -2.5252 -2.2606 -2.2583 -2.1083 -2.1042 0.3337 0.3349 0.7356 0.7381 1.2475 1.2577 1.5399 1.5518 2.6298 2.6393 2.7043 2.7132 2.8348 2.8370 3.0088 3.0175 8.3560 8.3580 11.2700 11.2708 11.7131 11.7142 12.0295 12.0308 k = 0.2973-0.3075 0.0000 ( 9485 PWs) bands (ev): -40.7632 -40.7632 -40.7548 -40.7548 -39.7326 -39.7326 -39.7137 -39.7137 -17.8376 -17.8375 -14.3905 -14.3903 -14.1186 -14.1184 -13.4326 -13.4325 -4.5014 -4.5013 -2.5174 -2.5143 -2.2581 -2.2564 -2.0996 -2.0954 0.3221 0.3233 0.7343 0.7369 1.2658 1.2760 1.5612 1.5731 2.6167 2.6260 2.6960 2.7054 2.8218 2.8243 3.0042 3.0126 8.3605 8.3625 11.2289 11.2297 11.6458 11.6468 11.9880 11.9893 k = 0.2874-0.2972 0.0000 ( 9487 PWs) bands (ev): -40.7633 -40.7633 -40.7547 -40.7547 -39.7327 -39.7327 -39.7136 -39.7136 -17.8361 -17.8361 -14.3921 -14.3919 -14.1182 -14.1181 -13.4328 -13.4328 -4.5130 -4.5129 -2.5062 -2.5033 -2.2553 -2.2542 -2.0905 -2.0863 0.3106 0.3118 0.7332 0.7357 1.2849 1.2950 1.5824 1.5944 2.6040 2.6133 2.6855 2.6952 2.8113 2.8139 2.9988 3.0071 8.3632 8.3653 11.1875 11.1882 11.5778 11.5788 11.9463 11.9476 k = 0.2775-0.2870 0.0000 ( 9487 PWs) bands (ev): -40.7634 -40.7634 -40.7545 -40.7545 -39.7328 -39.7328 -39.7135 -39.7135 -17.8347 -17.8347 -14.3936 -14.3934 -14.1180 -14.1179 -13.4331 -13.4331 -4.5250 -4.5248 -2.4951 -2.4922 -2.2524 -2.2518 -2.0812 -2.0769 0.2993 0.3005 0.7321 0.7347 1.3047 1.3148 1.6036 1.6156 2.5919 2.6011 2.6732 2.6829 2.8032 2.8059 2.9928 3.0010 8.3640 8.3660 11.1460 11.1467 11.5095 11.5105 11.9047 11.9060 k = 0.2676-0.2767 0.0000 ( 9489 PWs) bands (ev): -40.7636 -40.7636 -40.7544 -40.7544 -39.7330 -39.7330 -39.7133 -39.7133 -17.8332 -17.8332 -14.3950 -14.3948 -14.1179 -14.1178 -13.4334 -13.4334 -4.5373 -4.5372 -2.4838 -2.4810 -2.2495 -2.2493 -2.0715 -2.0672 0.2881 0.2895 0.7311 0.7337 1.3252 1.3352 1.6247 1.6368 2.5804 2.5894 2.6593 2.6688 2.7972 2.7997 2.9863 2.9943 8.3627 8.3647 11.1049 11.1055 11.4412 11.4421 11.8633 11.8646 k = 0.2577-0.2665 0.0000 ( 9487 PWs) bands (ev): -40.7638 -40.7638 -40.7542 -40.7542 -39.7331 -39.7331 -39.7132 -39.7132 -17.8318 -17.8318 -14.3962 -14.3961 -14.1179 -14.1177 -13.4337 -13.4337 -4.5500 -4.5498 -2.4726 -2.4699 -2.2469 -2.2462 -2.0616 -2.0572 0.2772 0.2786 0.7303 0.7329 1.3461 1.3561 1.6457 1.6579 2.5695 2.5783 2.6442 2.6535 2.7929 2.7952 2.9791 2.9870 8.3593 8.3612 11.0645 11.0651 11.3731 11.3741 11.8224 11.8237 k = 0.2478-0.2562 0.0000 ( 9485 PWs) bands (ev): -40.7639 -40.7639 -40.7541 -40.7541 -39.7333 -39.7333 -39.7131 -39.7131 -17.8303 -17.8303 -14.3973 -14.3972 -14.1180 -14.1178 -13.4340 -13.4340 -4.5629 -4.5628 -2.4615 -2.4587 -2.2443 -2.2431 -2.0514 -2.0470 0.2665 0.2679 0.7296 0.7322 1.3676 1.3775 1.6666 1.6787 2.5593 2.5680 2.6285 2.6375 2.7896 2.7918 2.9715 2.9792 8.3536 8.3554 11.0252 11.0256 11.3057 11.3065 11.7819 11.7832 k = 0.2379-0.2460 0.0000 ( 9475 PWs) bands (ev): -40.7641 -40.7641 -40.7539 -40.7539 -39.7334 -39.7334 -39.7129 -39.7129 -17.8289 -17.8289 -14.3983 -14.3982 -14.1181 -14.1180 -13.4343 -13.4343 -4.5761 -4.5760 -2.4504 -2.4477 -2.2418 -2.2400 -2.0409 -2.0365 0.2561 0.2575 0.7290 0.7317 1.3894 1.3993 1.6872 1.6994 2.5498 2.5583 2.6125 2.6213 2.7872 2.7893 2.9635 2.9710 8.3456 8.3473 10.9872 10.9875 11.2390 11.2398 11.7422 11.7435 k = 0.2279-0.2357 0.0000 ( 9471 PWs) bands (ev): -40.7643 -40.7643 -40.7537 -40.7537 -39.7336 -39.7336 -39.7127 -39.7127 -17.8275 -17.8275 -14.3992 -14.3990 -14.1184 -14.1183 -13.4347 -13.4346 -4.5894 -4.5893 -2.4394 -2.4367 -2.2393 -2.2370 -2.0301 -2.0257 0.2458 0.2473 0.7286 0.7312 1.4115 1.4215 1.7075 1.7198 2.5410 2.5493 2.5965 2.6051 2.7852 2.7873 2.9551 2.9624 8.3352 8.3369 10.9508 10.9510 11.1733 11.1741 11.7033 11.7046 k = 0.2180-0.2255 0.0000 ( 9483 PWs) bands (ev): -40.7645 -40.7645 -40.7536 -40.7536 -39.7338 -39.7338 -39.7126 -39.7126 -17.8261 -17.8261 -14.3999 -14.3998 -14.1188 -14.1187 -13.4350 -13.4350 -4.6029 -4.6027 -2.4286 -2.4258 -2.2370 -2.2342 -2.0192 -2.0148 0.2359 0.2374 0.7284 0.7310 1.4338 1.4438 1.7275 1.7399 2.5330 2.5411 2.5808 2.5893 2.7836 2.7857 2.9463 2.9536 8.3225 8.3241 10.9163 10.9165 11.1090 11.1097 11.6653 11.6666 k = 0.2081-0.2152 0.0000 ( 9487 PWs) bands (ev): -40.7647 -40.7647 -40.7534 -40.7534 -39.7340 -39.7340 -39.7124 -39.7124 -17.8247 -17.8247 -14.4005 -14.4003 -14.1193 -14.1191 -13.4353 -13.4353 -4.6163 -4.6162 -2.4180 -2.4150 -2.2347 -2.2315 -2.0080 -2.0037 0.2262 0.2277 0.7283 0.7308 1.4563 1.4662 1.7471 1.7596 2.5258 2.5336 2.5655 2.5739 2.7822 2.7843 2.9374 2.9445 8.3076 8.3091 10.8839 10.8840 11.0461 11.0467 11.6283 11.6296 k = 0.1982-0.2050 0.0000 ( 9491 PWs) bands (ev): -40.7648 -40.7648 -40.7532 -40.7532 -39.7342 -39.7342 -39.7122 -39.7122 -17.8234 -17.8234 -14.4009 -14.4008 -14.1198 -14.1197 -13.4357 -13.4356 -4.6298 -4.6296 -2.4075 -2.4043 -2.2327 -2.2290 -1.9968 -1.9926 0.2167 0.2183 0.7283 0.7308 1.4788 1.4887 1.7663 1.7789 2.5192 2.5268 2.5509 2.5592 2.7808 2.7829 2.9283 2.9352 8.2905 8.2919 10.8539 10.8539 10.9848 10.9855 11.5925 11.5937 k = 0.1883-0.1947 0.0000 ( 9485 PWs) bands (ev): -40.7650 -40.7650 -40.7531 -40.7531 -39.7344 -39.7344 -39.7120 -39.7120 -17.8221 -17.8221 -14.4013 -14.4011 -14.1204 -14.1203 -13.4360 -13.4360 -4.6431 -4.6429 -2.3972 -2.3939 -2.2308 -2.2267 -1.9856 -1.9814 0.2076 0.2092 0.7285 0.7309 1.5012 1.5112 1.7850 1.7976 2.5133 2.5205 2.5370 2.5455 2.7795 2.7817 2.9191 2.9258 8.2713 8.2726 10.8262 10.8263 10.9254 10.9260 11.5578 11.5590 k = 0.1784-0.1845 0.0000 ( 9491 PWs) bands (ev): -40.7652 -40.7652 -40.7529 -40.7529 -39.7346 -39.7346 -39.7118 -39.7118 -17.8209 -17.8208 -14.4015 -14.4013 -14.1211 -14.1210 -13.4363 -13.4363 -4.6562 -4.6561 -2.3871 -2.3836 -2.2292 -2.2247 -1.9743 -1.9703 0.1987 0.2004 0.7288 0.7312 1.5235 1.5334 1.8031 1.8158 2.5078 2.5141 2.5245 2.5330 2.7782 2.7804 2.9098 2.9165 8.2502 8.2515 10.8010 10.8012 10.8680 10.8686 11.5244 11.5256 k = 0.1685-0.1742 0.0000 ( 9491 PWs) bands (ev): -40.7654 -40.7654 -40.7527 -40.7527 -39.7348 -39.7348 -39.7117 -39.7117 -17.8197 -17.8196 -14.4016 -14.4014 -14.1218 -14.1217 -13.4367 -13.4367 -4.6691 -4.6690 -2.3773 -2.3735 -2.2278 -2.2230 -1.9632 -1.9593 0.1902 0.1919 0.7292 0.7315 1.5455 1.5555 1.8206 1.8333 2.5020 2.5063 2.5148 2.5227 2.7769 2.7790 2.9007 2.9072 8.2275 8.2287 10.7785 10.7787 10.8128 10.8134 11.4924 11.4936 k = 0.1586-0.1640 0.0000 ( 9491 PWs) bands (ev): -40.7656 -40.7656 -40.7526 -40.7526 -39.7350 -39.7350 -39.7115 -39.7115 -17.8185 -17.8185 -14.4016 -14.4014 -14.1226 -14.1225 -13.4370 -13.4370 -4.6818 -4.6816 -2.3676 -2.3636 -2.2266 -2.2216 -1.9522 -1.9485 0.1820 0.1836 0.7298 0.7320 1.5672 1.5771 1.8373 1.8501 2.4942 2.4969 2.5085 2.5154 2.7755 2.7777 2.8916 2.8980 8.2035 8.2045 10.7575 10.7580 10.7609 10.7613 11.4617 11.4629 k = 0.1487-0.1537 0.0000 ( 9487 PWs) bands (ev): -40.7657 -40.7657 -40.7524 -40.7524 -39.7352 -39.7352 -39.7113 -39.7113 -17.8174 -17.8174 -14.4015 -14.4014 -14.1234 -14.1233 -13.4373 -13.4373 -4.6940 -4.6939 -2.3582 -2.3540 -2.2258 -2.2205 -1.9414 -1.9380 0.1741 0.1758 0.7304 0.7325 1.5885 1.5983 1.8533 1.8660 2.4842 2.4878 2.5044 2.5109 2.7740 2.7763 2.8828 2.8891 8.1783 8.1792 10.7093 10.7098 10.7413 10.7417 11.4326 11.4337 k = 0.1387-0.1435 0.0000 ( 9475 PWs) bands (ev): -40.7659 -40.7659 -40.7522 -40.7522 -39.7353 -39.7353 -39.7111 -39.7111 -17.8164 -17.8163 -14.4013 -14.4012 -14.1242 -14.1241 -13.4376 -13.4376 -4.7058 -4.7057 -2.3491 -2.3446 -2.2252 -2.2197 -1.9310 -1.9277 0.1666 0.1682 0.7311 0.7332 1.6092 1.6189 1.8684 1.8810 2.4743 2.4785 2.5017 2.5080 2.7726 2.7749 2.8743 2.8804 8.1523 8.1531 10.6615 10.6619 10.7264 10.7268 11.4050 11.4061 k = 0.1288-0.1332 0.0000 ( 9477 PWs) bands (ev): -40.7660 -40.7660 -40.7521 -40.7521 -39.7355 -39.7355 -39.7110 -39.7110 -17.8154 -17.8154 -14.4010 -14.4009 -14.1251 -14.1250 -13.4379 -13.4379 -4.7171 -4.7169 -2.3402 -2.3355 -2.2249 -2.2192 -1.9210 -1.9179 0.1595 0.1610 0.7319 0.7338 1.6293 1.6388 1.8826 1.8950 2.4650 2.4695 2.5000 2.5060 2.7712 2.7735 2.8660 2.8720 8.1259 8.1267 10.6163 10.6167 10.7138 10.7143 11.3789 11.3800 k = 0.1189-0.1230 0.0000 ( 9481 PWs) bands (ev): -40.7662 -40.7662 -40.7519 -40.7519 -39.7357 -39.7357 -39.7108 -39.7108 -17.8145 -17.8144 -14.4008 -14.4007 -14.1259 -14.1259 -13.4382 -13.4382 -4.7278 -4.7277 -2.3316 -2.3267 -2.2249 -2.2190 -1.9114 -1.9086 0.1528 0.1543 0.7328 0.7346 1.6486 1.6580 1.8957 1.9080 2.4565 2.4611 2.4989 2.5046 2.7698 2.7722 2.8582 2.8641 8.0994 8.1001 10.5740 10.5744 10.7035 10.7040 11.3545 11.3555 k = 0.1090-0.1127 0.0000 ( 9487 PWs) bands (ev): -40.7663 -40.7663 -40.7518 -40.7518 -39.7359 -39.7359 -39.7106 -39.7106 -17.8136 -17.8136 -14.4004 -14.4003 -14.1268 -14.1267 -13.4385 -13.4385 -4.7379 -4.7378 -2.3232 -2.3182 -2.2252 -2.2192 -1.9023 -1.8997 0.1465 0.1479 0.7336 0.7353 1.6671 1.6762 1.9078 1.9198 2.4488 2.4534 2.4983 2.5037 2.7685 2.7710 2.8508 2.8565 8.0733 8.0739 10.5347 10.5350 10.6951 10.6957 11.3318 11.3328 k = 0.0991-0.1025 0.0000 ( 9495 PWs) bands (ev): -40.7665 -40.7665 -40.7517 -40.7517 -39.7360 -39.7360 -39.7105 -39.7105 -17.8128 -17.8128 -14.4001 -14.4000 -14.1276 -14.1275 -13.4388 -13.4388 -4.7473 -4.7472 -2.3152 -2.3100 -2.2258 -2.2197 -1.8938 -1.8915 0.1407 0.1420 0.7345 0.7361 1.6846 1.6934 1.9189 1.9304 2.4420 2.4465 2.4980 2.5031 2.7673 2.7700 2.8438 2.8494 8.0479 8.0484 10.4984 10.4987 10.6886 10.6892 11.3108 11.3117 k = 0.0892-0.0922 0.0000 ( 9493 PWs) bands (ev): -40.7666 -40.7666 -40.7516 -40.7516 -39.7361 -39.7361 -39.7104 -39.7104 -17.8121 -17.8121 -14.3997 -14.3996 -14.1284 -14.1283 -13.4390 -13.4390 -4.7559 -4.7559 -2.3075 -2.3021 -2.2267 -2.2205 -1.8860 -1.8838 0.1353 0.1365 0.7354 0.7368 1.7011 1.7094 1.9288 1.9398 2.4361 2.4403 2.4979 2.5027 2.7663 2.7692 2.8373 2.8429 8.0235 8.0240 10.4652 10.4655 10.6837 10.6842 11.2916 11.2925 k = 0.0793-0.0820 0.0000 ( 9499 PWs) bands (ev): -40.7667 -40.7667 -40.7515 -40.7515 -39.7363 -39.7363 -39.7103 -39.7103 -17.8114 -17.8114 -14.3993 -14.3992 -14.1291 -14.1290 -13.4393 -13.4393 -4.7638 -4.7638 -2.3002 -2.2946 -2.2280 -2.2217 -1.8788 -1.8769 0.1305 0.1316 0.7363 0.7375 1.7163 1.7242 1.9376 1.9479 2.4310 2.4350 2.4981 2.5024 2.7656 2.7686 2.8314 2.8368 8.0006 8.0010 10.4353 10.4355 10.6801 10.6807 11.2742 11.2750 k = 0.0694-0.0717 0.0000 ( 9497 PWs) bands (ev): -40.7668 -40.7668 -40.7514 -40.7514 -39.7364 -39.7364 -39.7101 -39.7101 -17.8109 -17.8109 -14.3989 -14.3989 -14.1298 -14.1297 -13.4395 -13.4395 -4.7709 -4.7708 -2.2932 -2.2875 -2.2295 -2.2232 -1.8724 -1.8707 0.1261 0.1271 0.7371 0.7382 1.7303 1.7376 1.9453 1.9548 2.4267 2.4304 2.4983 2.5021 2.7651 2.7682 2.8260 2.8312 7.9794 7.9798 10.4087 10.4089 10.6777 10.6782 11.2587 11.2595 k = 0.0595-0.0615 0.0000 ( 9499 PWs) bands (ev): -40.7669 -40.7669 -40.7513 -40.7513 -39.7365 -39.7365 -39.7101 -39.7101 -17.8104 -17.8104 -14.3986 -14.3985 -14.1304 -14.1303 -13.4396 -13.4396 -4.7771 -4.7771 -2.2866 -2.2809 -2.2313 -2.2250 -1.8667 -1.8652 0.1223 0.1232 0.7378 0.7388 1.7429 1.7494 1.9519 1.9605 2.4232 2.4265 2.4985 2.5019 2.7649 2.7680 2.8213 2.8261 7.9604 7.9607 10.3855 10.3856 10.6761 10.6766 11.2452 11.2458 k = 0.0496-0.0512 0.0000 ( 9499 PWs) bands (ev): -40.7669 -40.7669 -40.7512 -40.7512 -39.7366 -39.7366 -39.7100 -39.7100 -17.8099 -17.8099 -14.3983 -14.3982 -14.1309 -14.1309 -13.4398 -13.4398 -4.7824 -4.7824 -2.2804 -2.2746 -2.2333 -2.2272 -1.8618 -1.8606 0.1191 0.1198 0.7385 0.7393 1.7539 1.7596 1.9575 1.9649 2.4204 2.4233 2.4988 2.5017 2.7649 2.7680 2.8172 2.8216 7.9438 7.9440 10.3657 10.3659 10.6752 10.6757 11.2336 11.2342 k = 0.0396-0.0410 0.0000 ( 9501 PWs) bands (ev): -40.7670 -40.7670 -40.7512 -40.7512 -39.7367 -39.7367 -39.7099 -39.7099 -17.8096 -17.8096 -14.3980 -14.3980 -14.1313 -14.1313 -13.4399 -13.4399 -4.7868 -4.7868 -2.2746 -2.2690 -2.2356 -2.2296 -1.8577 -1.8568 0.1164 0.1170 0.7391 0.7398 1.7632 1.7680 1.9621 1.9683 2.4183 2.4207 2.4991 2.5014 2.7652 2.7680 2.8138 2.8177 7.9298 7.9300 10.3495 10.3496 10.6748 10.6752 11.2241 11.2246 k = 0.0297-0.0307 0.0000 ( 9503 PWs) bands (ev): -40.7670 -40.7670 -40.7511 -40.7511 -39.7367 -39.7367 -39.7098 -39.7098 -17.8093 -17.8093 -14.3978 -14.3977 -14.1317 -14.1317 -13.4400 -13.4400 -4.7903 -4.7902 -2.2693 -2.2640 -2.2379 -2.2323 -1.8545 -1.8538 0.1144 0.1148 0.7396 0.7401 1.7708 1.7745 1.9658 1.9706 2.4168 2.4186 2.4993 2.5011 2.7657 2.7681 2.8112 2.8143 7.9187 7.9189 10.3368 10.3369 10.6748 10.6750 11.2167 11.2170 k = 0.0198-0.0205 0.0000 ( 9519 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8091 -17.8091 -14.3976 -14.3976 -14.1319 -14.1319 -13.4401 -13.4401 -4.7927 -4.7927 -2.2646 -2.2600 -2.2399 -2.2351 -1.8522 -1.8517 0.1129 0.1132 0.7400 0.7403 1.7765 1.7790 1.9686 1.9719 2.4159 2.4171 2.4996 2.5008 2.7663 2.7680 2.8094 2.8117 7.9107 7.9108 10.3278 10.3278 10.6748 10.6750 11.2113 11.2116 k = 0.0099-0.0102 0.0000 ( 9529 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8090 -17.8090 -14.3975 -14.3975 -14.1321 -14.1321 -13.4401 -13.4401 -4.7942 -4.7942 -2.2607 -2.2579 -2.2409 -2.2379 -1.8507 -1.8505 0.1121 0.1122 0.7402 0.7404 1.7802 1.7815 1.9706 1.9723 2.4155 2.4161 2.4999 2.5005 2.7669 2.7678 2.8086 2.8098 7.9058 7.9059 10.3223 10.3223 10.6749 10.6750 11.2081 11.2083 k = 0.0000 0.0000 0.0000 ( 9535 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8090 -17.8090 -14.3975 -14.3975 -14.1321 -14.1321 -13.4402 -13.4402 -4.7947 -4.7947 -2.2582 -2.2582 -2.2401 -2.2401 -1.8502 -1.8502 0.1118 0.1118 0.7404 0.7404 1.7819 1.7819 1.9719 1.9719 2.4155 2.4155 2.5002 2.5002 2.7675 2.7675 2.8088 2.8088 7.9042 7.9042 10.3205 10.3205 10.6750 10.6750 11.2071 11.2071 k = 0.0000 0.0000 0.0000 ( 9535 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8090 -17.8090 -14.3975 -14.3975 -14.1321 -14.1321 -13.4402 -13.4402 -4.7947 -4.7947 -2.2582 -2.2582 -2.2401 -2.2401 -1.8502 -1.8502 0.1118 0.1118 0.7404 0.7404 1.7819 1.7819 1.9719 1.9719 2.4155 2.4155 2.5002 2.5002 2.7675 2.7675 2.8088 2.8088 7.9042 7.9042 10.3205 10.3205 10.6750 10.6750 11.2071 11.2071 k = 0.0143-0.0005-0.0009 ( 9528 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8090 -17.8090 -14.3975 -14.3975 -14.1321 -14.1321 -13.4401 -13.4401 -4.7942 -4.7942 -2.2600 -2.2579 -2.2408 -2.2386 -1.8508 -1.8506 0.1121 0.1122 0.7403 0.7405 1.7805 1.7814 1.9705 1.9718 2.4157 2.4164 2.4999 2.5006 2.7671 2.7678 2.8087 2.8096 7.9061 7.9062 10.3221 10.3221 10.6758 10.6759 11.2071 11.2072 k = 0.0286-0.0010-0.0018 ( 9513 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8091 -17.8091 -14.3975 -14.3975 -14.1321 -14.1321 -13.4401 -13.4401 -4.7927 -4.7927 -2.2629 -2.2593 -2.2406 -2.2369 -1.8523 -1.8519 0.1130 0.1132 0.7404 0.7406 1.7771 1.7790 1.9678 1.9702 2.4169 2.4181 2.4997 2.5010 2.7666 2.7679 2.8092 2.8110 7.9118 7.9119 10.3269 10.3270 10.6783 10.6785 11.2071 11.2074 k = 0.0429-0.0014-0.0027 ( 9508 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7367 -39.7367 -39.7098 -39.7098 -17.8093 -17.8093 -14.3975 -14.3974 -14.1320 -14.1320 -13.4400 -13.4400 -4.7903 -4.7903 -2.2665 -2.2620 -2.2398 -2.2351 -1.8549 -1.8543 0.1145 0.1148 0.7404 0.7409 1.7719 1.7746 1.9637 1.9672 2.4189 2.4208 2.4998 2.5016 2.7660 2.7679 2.8105 2.8132 7.9213 7.9215 10.3350 10.3350 10.6825 10.6827 11.2075 11.2079 k = 0.0571-0.0019-0.0036 ( 9502 PWs) bands (ev): -40.7670 -40.7670 -40.7512 -40.7512 -39.7367 -39.7367 -39.7099 -39.7099 -17.8096 -17.8096 -14.3974 -14.3974 -14.1319 -14.1318 -13.4399 -13.4399 -4.7869 -4.7869 -2.2707 -2.2657 -2.2387 -2.2335 -1.8584 -1.8576 0.1166 0.1170 0.7406 0.7412 1.7649 1.7684 1.9582 1.9629 2.4216 2.4240 2.5001 2.5024 2.7653 2.7678 2.8127 2.8161 7.9345 7.9346 10.3462 10.3463 10.6881 10.6884 11.2084 11.2090 k = 0.0714-0.0024-0.0045 ( 9499 PWs) bands (ev): -40.7670 -40.7670 -40.7512 -40.7512 -39.7366 -39.7366 -39.7099 -39.7099 -17.8100 -17.8100 -14.3974 -14.3974 -14.1317 -14.1317 -13.4397 -13.4397 -4.7826 -4.7825 -2.2752 -2.2700 -2.2377 -2.2322 -1.8628 -1.8619 0.1193 0.1199 0.7408 0.7415 1.7561 1.7604 1.9516 1.9572 2.4245 2.4275 2.5008 2.5034 2.7645 2.7675 2.8158 2.8199 7.9511 7.9513 10.3605 10.3606 10.6949 10.6953 11.2103 11.2110 k = 0.0857-0.0029-0.0054 ( 9503 PWs) bands (ev): -40.7669 -40.7669 -40.7513 -40.7513 -39.7365 -39.7365 -39.7100 -39.7100 -17.8105 -17.8105 -14.3974 -14.3973 -14.1315 -14.1315 -13.4395 -13.4395 -4.7773 -4.7773 -2.2801 -2.2748 -2.2369 -2.2312 -1.8682 -1.8670 0.1226 0.1233 0.7411 0.7420 1.7456 1.7506 1.9437 1.9503 2.4275 2.4311 2.5021 2.5048 2.7638 2.7672 2.8199 2.8246 7.9710 7.9712 10.3780 10.3781 10.7029 10.7033 11.2137 11.2145 k = 0.1000-0.0034-0.0063 ( 9499 PWs) bands (ev): -40.7668 -40.7668 -40.7513 -40.7513 -39.7365 -39.7365 -39.7101 -39.7101 -17.8110 -17.8110 -14.3973 -14.3973 -14.1313 -14.1313 -13.4393 -13.4393 -4.7712 -4.7712 -2.2853 -2.2798 -2.2364 -2.2305 -1.8745 -1.8731 0.1265 0.1272 0.7415 0.7425 1.7335 1.7391 1.9349 1.9422 2.4302 2.4344 2.5039 2.5066 2.7632 2.7670 2.8250 2.8302 7.9940 7.9943 10.3984 10.3986 10.7116 10.7121 11.2191 11.2200 k = 0.1143-0.0038-0.0071 ( 9500 PWs) bands (ev): -40.7667 -40.7667 -40.7514 -40.7514 -39.7364 -39.7364 -39.7102 -39.7102 -17.8116 -17.8116 -14.3972 -14.3972 -14.1311 -14.1311 -13.4391 -13.4391 -4.7643 -4.7642 -2.2906 -2.2851 -2.2362 -2.2303 -1.8816 -1.8801 0.1310 0.1318 0.7420 0.7431 1.7198 1.7260 1.9252 1.9331 2.4325 2.4372 2.5061 2.5088 2.7629 2.7669 2.8313 2.8369 8.0199 8.0202 10.4218 10.4219 10.7208 10.7213 11.2271 11.2281 k = 0.1286-0.0043-0.0080 ( 9498 PWs) bands (ev): -40.7666 -40.7666 -40.7515 -40.7515 -39.7363 -39.7363 -39.7103 -39.7103 -17.8123 -17.8123 -14.3971 -14.3971 -14.1309 -14.1309 -13.4388 -13.4388 -4.7565 -4.7565 -2.2961 -2.2906 -2.2364 -2.2303 -1.8895 -1.8879 0.1359 0.1368 0.7427 0.7438 1.7046 1.7112 1.9148 1.9232 2.4341 2.4393 2.5087 2.5111 2.7629 2.7673 2.8386 2.8445 8.0482 8.0486 10.4479 10.4480 10.7304 10.7310 11.2382 11.2393 k = 0.1429-0.0048-0.0089 ( 9497 PWs) bands (ev): -40.7665 -40.7665 -40.7516 -40.7516 -39.7361 -39.7361 -39.7104 -39.7104 -17.8130 -17.8130 -14.3970 -14.3969 -14.1307 -14.1307 -13.4385 -13.4384 -4.7481 -4.7480 -2.3017 -2.2962 -2.2368 -2.2308 -1.8982 -1.8964 0.1414 0.1424 0.7434 0.7447 1.6879 1.6948 1.9038 1.9127 2.4352 2.4408 2.5114 2.5135 2.7635 2.7681 2.8471 2.8532 8.0788 8.0792 10.4765 10.4767 10.7402 10.7408 11.2530 11.2542 k = 0.1571-0.0053-0.0098 ( 9484 PWs) bands (ev): -40.7664 -40.7664 -40.7517 -40.7517 -39.7360 -39.7360 -39.7105 -39.7105 -17.8137 -17.8137 -14.3968 -14.3968 -14.1306 -14.1305 -13.4381 -13.4381 -4.7389 -4.7388 -2.3073 -2.3018 -2.2376 -2.2315 -1.9076 -1.9057 0.1474 0.1484 0.7443 0.7457 1.6698 1.6768 1.8926 1.9017 2.4358 2.4417 2.5138 2.5158 2.7647 2.7695 2.8566 2.8628 8.1113 8.1117 10.5075 10.5077 10.7503 10.7509 11.2718 11.2731 k = 0.1714-0.0058-0.0107 ( 9483 PWs) bands (ev): -40.7663 -40.7663 -40.7518 -40.7518 -39.7359 -39.7359 -39.7106 -39.7106 -17.8146 -17.8146 -14.3966 -14.3966 -14.1304 -14.1303 -13.4377 -13.4377 -4.7292 -4.7291 -2.3128 -2.3074 -2.2388 -2.2326 -1.9177 -1.9157 0.1538 0.1549 0.7453 0.7468 1.6502 1.6574 1.8812 1.8904 2.4359 2.4421 2.5156 2.5176 2.7667 2.7717 2.8671 2.8734 8.1454 8.1458 10.5402 10.5404 10.7610 10.7616 11.2950 11.2964 k = 0.1857-0.0063-0.0116 ( 9491 PWs) bands (ev): -40.7662 -40.7662 -40.7520 -40.7520 -39.7357 -39.7357 -39.7107 -39.7107 -17.8154 -17.8154 -14.3964 -14.3963 -14.1303 -14.1302 -13.4373 -13.4373 -4.7189 -4.7188 -2.3183 -2.3129 -2.2402 -2.2341 -1.9284 -1.9263 0.1606 0.1617 0.7465 0.7480 1.6294 1.6365 1.8699 1.8790 2.4357 2.4421 2.5167 2.5187 2.7696 2.7747 2.8785 2.8847 8.1806 8.1810 10.5741 10.5743 10.7729 10.7736 11.3227 11.3241 k = 0.2000-0.0067-0.0125 ( 9487 PWs) bands (ev): -40.7660 -40.7660 -40.7521 -40.7521 -39.7356 -39.7356 -39.7109 -39.7109 -17.8163 -17.8163 -14.3961 -14.3960 -14.1302 -14.1301 -13.4369 -13.4369 -4.7081 -4.7080 -2.3236 -2.3182 -2.2420 -2.2358 -1.9397 -1.9375 0.1678 0.1690 0.7478 0.7494 1.6073 1.6143 1.8587 1.8677 2.4353 2.4417 2.5169 2.5190 2.7733 2.7785 2.8907 2.8969 8.2166 8.2171 10.6080 10.6082 10.7872 10.7879 11.3549 11.3563 k = 0.2143-0.0072-0.0134 ( 9494 PWs) bands (ev): -40.7659 -40.7659 -40.7522 -40.7522 -39.7354 -39.7354 -39.7110 -39.7110 -17.8172 -17.8172 -14.3958 -14.3957 -14.1301 -14.1301 -13.4364 -13.4364 -4.6969 -4.6968 -2.3288 -2.3234 -2.2440 -2.2378 -1.9514 -1.9491 0.1754 0.1766 0.7493 0.7509 1.5840 1.5908 1.8479 1.8566 2.4346 2.4411 2.5162 2.5184 2.7780 2.7831 2.9037 2.9096 8.2531 8.2536 10.6404 10.6408 10.8053 10.8061 11.3914 11.3929 k = 0.2286-0.0077-0.0143 ( 9496 PWs) bands (ev): -40.7657 -40.7657 -40.7524 -40.7524 -39.7353 -39.7353 -39.7112 -39.7112 -17.8182 -17.8182 -14.3954 -14.3953 -14.1301 -14.1300 -13.4360 -13.4360 -4.6855 -4.6853 -2.3337 -2.3283 -2.2463 -2.2401 -1.9634 -1.9611 0.1832 0.1844 0.7509 0.7525 1.5598 1.5663 1.8374 1.8458 2.4338 2.4402 2.5146 2.5170 2.7834 2.7885 2.9171 2.9229 8.2897 8.2903 10.6697 10.6700 10.8294 10.8302 11.4322 11.4336 k = 0.2429-0.0082-0.0152 ( 9491 PWs) bands (ev): -40.7656 -40.7656 -40.7525 -40.7525 -39.7351 -39.7351 -39.7113 -39.7113 -17.8191 -17.8191 -14.3950 -14.3949 -14.1301 -14.1301 -13.4355 -13.4355 -4.6738 -4.6736 -2.3382 -2.3329 -2.2489 -2.2427 -1.9758 -1.9734 0.1913 0.1926 0.7526 0.7543 1.5348 1.5410 1.8275 1.8355 2.4329 2.4392 2.5123 2.5148 2.7895 2.7945 2.9310 2.9365 8.3261 8.3266 10.6944 10.6948 10.8606 10.8614 11.4768 11.4783 k = 0.2571-0.0087-0.0161 ( 9491 PWs) bands (ev): -40.7654 -40.7654 -40.7527 -40.7527 -39.7349 -39.7349 -39.7115 -39.7115 -17.8201 -17.8201 -14.3945 -14.3945 -14.1302 -14.1302 -13.4350 -13.4350 -4.6619 -4.6618 -2.3425 -2.3371 -2.2517 -2.2455 -1.9884 -1.9860 0.1997 0.2009 0.7545 0.7561 1.5092 1.5150 1.8181 1.8256 2.4318 2.4379 2.5094 2.5119 2.7962 2.8010 2.9451 2.9503 8.3618 8.3624 10.7146 10.7149 10.8992 10.9000 11.5250 11.5265 k = 0.2714-0.0091-0.0170 ( 9492 PWs) bands (ev): -40.7652 -40.7652 -40.7529 -40.7529 -39.7348 -39.7348 -39.7117 -39.7117 -17.8210 -17.8210 -14.3940 -14.3940 -14.1304 -14.1303 -13.4345 -13.4345 -4.6500 -4.6499 -2.3463 -2.3410 -2.2547 -2.2485 -2.0011 -1.9987 0.2082 0.2094 0.7564 0.7581 1.4832 1.4887 1.8092 1.8163 2.4305 2.4364 2.5060 2.5085 2.8033 2.8079 2.9592 2.9642 8.3967 8.3973 10.7313 10.7316 10.9440 10.9448 11.5765 11.5780 k = 0.2857-0.0096-0.0179 ( 9498 PWs) bands (ev): -40.7651 -40.7651 -40.7530 -40.7530 -39.7346 -39.7346 -39.7118 -39.7118 -17.8220 -17.8220 -14.3935 -14.3935 -14.1305 -14.1305 -13.4339 -13.4339 -4.6382 -4.6381 -2.3497 -2.3444 -2.2579 -2.2517 -2.0138 -2.0114 0.2168 0.2180 0.7585 0.7601 1.4570 1.4621 1.8010 1.8075 2.4291 2.4346 2.5024 2.5049 2.8106 2.8150 2.9733 2.9779 8.4304 8.4309 10.7459 10.7463 10.9935 10.9943 11.6309 11.6324 k = 0.3000-0.0101-0.0188 ( 9499 PWs) bands (ev): -40.7649 -40.7649 -40.7532 -40.7532 -39.7344 -39.7344 -39.7120 -39.7120 -17.8229 -17.8229 -14.3930 -14.3929 -14.1308 -14.1307 -13.4334 -13.4334 -4.6266 -4.6264 -2.3527 -2.3473 -2.2613 -2.2551 -2.0264 -2.0240 0.2254 0.2266 0.7606 0.7622 1.4310 1.4357 1.7933 1.7993 2.4274 2.4326 2.4987 2.5011 2.8182 2.8223 2.9872 2.9915 8.4626 8.4631 10.7595 10.7599 11.0465 11.0472 11.6878 11.6893 k = 0.3143-0.0106-0.0196 ( 9500 PWs) bands (ev): -40.7647 -40.7647 -40.7533 -40.7533 -39.7343 -39.7343 -39.7121 -39.7121 -17.8238 -17.8238 -14.3924 -14.3924 -14.1310 -14.1309 -13.4329 -13.4329 -4.6151 -4.6150 -2.3551 -2.3498 -2.2649 -2.2586 -2.0388 -2.0364 0.2341 0.2352 0.7627 0.7643 1.4052 1.4096 1.7861 1.7917 2.4254 2.4302 2.4952 2.4974 2.8258 2.8296 3.0007 3.0047 8.4931 8.4936 10.7728 10.7731 11.1019 11.1026 11.7469 11.7484 k = 0.3286-0.0111-0.0205 ( 9499 PWs) bands (ev): -40.7646 -40.7646 -40.7535 -40.7535 -39.7341 -39.7341 -39.7123 -39.7123 -17.8247 -17.8247 -14.3919 -14.3918 -14.1313 -14.1312 -13.4324 -13.4324 -4.6041 -4.6040 -2.3571 -2.3518 -2.2686 -2.2623 -2.0509 -2.0485 0.2426 0.2437 0.7649 0.7664 1.3801 1.3841 1.7796 1.7846 2.4232 2.4275 2.4919 2.4939 2.8333 2.8368 3.0137 3.0174 8.5217 8.5223 10.7860 10.7863 11.1589 11.1595 11.8076 11.8092 k = 0.3429-0.0115-0.0214 ( 9493 PWs) bands (ev): -40.7644 -40.7644 -40.7537 -40.7537 -39.7339 -39.7339 -39.7124 -39.7124 -17.8255 -17.8255 -14.3913 -14.3912 -14.1316 -14.1315 -13.4320 -13.4319 -4.5935 -4.5934 -2.3585 -2.3532 -2.2724 -2.2662 -2.0626 -2.0603 0.2510 0.2521 0.7671 0.7685 1.3557 1.3594 1.7736 1.7782 2.4206 2.4245 2.4889 2.4907 2.8406 2.8438 3.0260 3.0294 8.5484 8.5489 10.7994 10.7997 11.2167 11.2174 11.8696 11.8713 k = 0.3571-0.0120-0.0223 ( 9496 PWs) bands (ev): -40.7642 -40.7642 -40.7538 -40.7538 -39.7338 -39.7338 -39.7126 -39.7126 -17.8263 -17.8262 -14.3907 -14.3907 -14.1319 -14.1319 -13.4315 -13.4315 -4.5834 -4.5833 -2.3593 -2.3541 -2.2764 -2.2701 -2.0737 -2.0715 0.2591 0.2601 0.7692 0.7706 1.3325 1.3358 1.7681 1.7723 2.4179 2.4213 2.4863 2.4879 2.8476 2.8505 3.0377 3.0408 8.5728 8.5733 10.8128 10.8132 11.2747 11.2754 11.9324 11.9341 k = 0.3714-0.0125-0.0232 ( 9504 PWs) bands (ev): -40.7641 -40.7641 -40.7540 -40.7540 -39.7337 -39.7337 -39.7127 -39.7127 -17.8270 -17.8270 -14.3902 -14.3901 -14.1323 -14.1322 -13.4311 -13.4311 -4.5739 -4.5739 -2.3597 -2.3545 -2.2803 -2.2742 -2.0842 -2.0821 0.2669 0.2679 0.7712 0.7726 1.3106 1.3136 1.7632 1.7669 2.4150 2.4179 2.4842 2.4855 2.8542 2.8569 3.0485 3.0513 8.5950 8.5955 10.8263 10.8266 11.3321 11.3327 11.9955 11.9973 k = 0.3857-0.0130-0.0241 ( 9500 PWs) bands (ev): -40.7639 -40.7639 -40.7541 -40.7541 -39.7335 -39.7335 -39.7129 -39.7129 -17.8276 -17.8276 -14.3896 -14.3896 -14.1326 -14.1325 -13.4307 -13.4307 -4.5652 -4.5651 -2.3595 -2.3544 -2.2843 -2.2783 -2.0939 -2.0919 0.2743 0.2751 0.7732 0.7744 1.2902 1.2929 1.7588 1.7621 2.4120 2.4145 2.4824 2.4835 2.8604 2.8628 3.0584 3.0609 8.6149 8.6153 10.8396 10.8399 11.3880 11.3886 12.0582 12.0601 k = 0.4000-0.0135-0.0250 ( 9495 PWs) bands (ev): -40.7638 -40.7638 -40.7542 -40.7542 -39.7334 -39.7334 -39.7130 -39.7130 -17.8282 -17.8282 -14.3891 -14.3891 -14.1329 -14.1328 -13.4303 -13.4303 -4.5573 -4.5572 -2.3589 -2.3539 -2.2883 -2.2824 -2.1028 -2.1009 0.2811 0.2819 0.7750 0.7762 1.2717 1.2740 1.7550 1.7578 2.4091 2.4111 2.4810 2.4819 2.8661 2.8681 3.0674 3.0695 8.6324 8.6328 10.8524 10.8526 11.4415 11.4420 12.1200 12.1219 k = 0.4143-0.0139-0.0259 ( 9493 PWs) bands (ev): -40.7637 -40.7637 -40.7543 -40.7543 -39.7333 -39.7333 -39.7131 -39.7131 -17.8287 -17.8287 -14.3887 -14.3887 -14.1332 -14.1331 -13.4300 -13.4300 -4.5503 -4.5502 -2.3578 -2.3531 -2.2921 -2.2866 -2.1106 -2.1090 0.2873 0.2880 0.7767 0.7777 1.2551 1.2571 1.7517 1.7541 2.4063 2.4080 2.4798 2.4807 2.8711 2.8729 3.0752 3.0771 8.6476 8.6479 10.8644 10.8646 11.4916 11.4921 12.1801 12.1820 k = 0.4286-0.0144-0.0268 ( 9497 PWs) bands (ev): -40.7636 -40.7636 -40.7544 -40.7544 -39.7332 -39.7332 -39.7132 -39.7132 -17.8292 -17.8292 -14.3883 -14.3883 -14.1334 -14.1334 -13.4297 -13.4297 -4.5442 -4.5442 -2.3564 -2.3520 -2.2957 -2.2906 -2.1174 -2.1160 0.2927 0.2933 0.7782 0.7791 1.2407 1.2424 1.7490 1.7510 2.4037 2.4051 2.4790 2.4797 2.8755 2.8770 3.0820 3.0836 8.6604 8.6607 10.8752 10.8754 11.5370 11.5375 12.2375 12.2395 k = 0.4429-0.0149-0.0277 ( 9493 PWs) bands (ev): -40.7635 -40.7635 -40.7545 -40.7545 -39.7331 -39.7331 -39.7132 -39.7132 -17.8296 -17.8296 -14.3880 -14.3879 -14.1337 -14.1336 -13.4294 -13.4294 -4.5392 -4.5391 -2.3547 -2.3508 -2.2990 -2.2944 -2.1230 -2.1219 0.2974 0.2979 0.7795 0.7802 1.2287 1.2300 1.7468 1.7484 2.4015 2.4026 2.4784 2.4789 2.8792 2.8804 3.0877 3.0889 8.6708 8.6711 10.8846 10.8848 11.5767 11.5771 12.2911 12.2931 k = 0.4571-0.0154-0.0286 ( 9497 PWs) bands (ev): -40.7634 -40.7634 -40.7546 -40.7546 -39.7331 -39.7331 -39.7133 -39.7133 -17.8299 -17.8299 -14.3877 -14.3877 -14.1339 -14.1338 -13.4292 -13.4292 -4.5352 -4.5352 -2.3529 -2.3496 -2.3016 -2.2978 -2.1274 -2.1265 0.3011 0.3015 0.7805 0.7811 1.2192 1.2202 1.7451 1.7463 2.3998 2.4005 2.4780 2.4784 2.8821 2.8830 3.0921 3.0930 8.6789 8.6791 10.8923 10.8924 11.6093 11.6096 12.3393 12.3411 k = 0.4714-0.0159-0.0295 ( 9493 PWs) bands (ev): -40.7634 -40.7634 -40.7546 -40.7546 -39.7330 -39.7330 -39.7133 -39.7133 -17.8301 -17.8301 -14.3875 -14.3875 -14.1340 -14.1340 -13.4291 -13.4291 -4.5323 -4.5323 -2.3512 -2.3488 -2.3036 -2.3008 -2.1306 -2.1300 0.3038 0.3041 0.7813 0.7817 1.2124 1.2131 1.7439 1.7447 2.3985 2.3990 2.4777 2.4780 2.8843 2.8849 3.0954 3.0960 8.6847 8.6848 10.8980 10.8981 11.6336 11.6338 12.3792 12.3807 k = 0.4857-0.0163-0.0304 ( 9492 PWs) bands (ev): -40.7633 -40.7633 -40.7547 -40.7547 -39.7330 -39.7330 -39.7134 -39.7134 -17.8302 -17.8302 -14.3874 -14.3874 -14.1341 -14.1341 -13.4290 -13.4290 -4.5306 -4.5306 -2.3498 -2.3485 -2.3045 -2.3030 -2.1324 -2.1321 0.3055 0.3057 0.7818 0.7820 1.2084 1.2087 1.7433 1.7437 2.3978 2.3980 2.4776 2.4777 2.8857 2.8860 3.0974 3.0977 8.6882 8.6883 10.9015 10.9015 11.6486 11.6487 12.4068 12.4077 k = 0.5000-0.0168-0.0313 ( 9486 PWs) bands (ev): -40.7633 -40.7633 -40.7547 -40.7547 -39.7330 -39.7330 -39.7134 -39.7134 -17.8303 -17.8303 -14.3873 -14.3873 -14.1341 -14.1341 -13.4290 -13.4290 -4.5300 -4.5300 -2.3488 -2.3488 -2.3043 -2.3043 -2.1329 -2.1329 0.3061 0.3061 0.7821 0.7821 1.2071 1.2071 1.7433 1.7433 2.3976 2.3976 2.4776 2.4776 2.8862 2.8862 3.0982 3.0982 8.6894 8.6894 10.9027 10.9027 11.6538 11.6538 12.4172 12.4172 k = 0.5000-0.0168 0.5617 ( 9480 PWs) bands (ev): -40.7521 -40.7521 -40.7431 -40.7431 -39.7451 -39.7451 -39.7252 -39.7252 -17.6732 -17.6732 -14.3549 -14.3549 -14.1137 -14.1137 -13.7181 -13.7181 -4.4219 -4.4219 -2.9288 -2.9288 -2.5648 -2.5648 -2.1847 -2.1847 0.5222 0.5222 0.9845 0.9845 1.2225 1.2225 1.5617 1.5617 2.2441 2.2441 2.5232 2.5232 2.9676 2.9676 3.4828 3.4828 9.1644 9.1644 10.9363 10.9363 11.6637 11.6637 12.2848 12.2848 k = 0.4904-0.0165 0.5509 ( 9477 PWs) bands (ev): -40.7521 -40.7521 -40.7431 -40.7431 -39.7451 -39.7451 -39.7252 -39.7252 -17.6734 -17.6734 -14.3549 -14.3549 -14.1137 -14.1137 -13.7179 -13.7179 -4.4223 -4.4223 -2.9284 -2.9283 -2.5647 -2.5646 -2.1845 -2.1844 0.5215 0.5217 0.9839 0.9848 1.2223 1.2234 1.5617 1.5625 2.2438 2.2443 2.5236 2.5240 2.9674 2.9675 3.4824 3.4825 9.1635 9.1636 10.9366 10.9367 11.6640 11.6641 12.2844 12.2844 k = 0.4808-0.0162 0.5401 ( 9475 PWs) bands (ev): -40.7521 -40.7521 -40.7432 -40.7432 -39.7451 -39.7451 -39.7251 -39.7251 -17.6738 -17.6738 -14.3550 -14.3550 -14.1135 -14.1135 -13.7172 -13.7172 -4.4234 -4.4233 -2.9271 -2.9269 -2.5641 -2.5639 -2.1839 -2.1837 0.5195 0.5198 0.9832 0.9849 1.2227 1.2248 1.5624 1.5639 2.2435 2.2445 2.5252 2.5260 2.9670 2.9672 3.4812 3.4815 9.1609 9.1610 10.9376 10.9377 11.6650 11.6652 12.2832 12.2834 k = 0.4712-0.0159 0.5293 ( 9474 PWs) bands (ev): -40.7522 -40.7522 -40.7432 -40.7432 -39.7451 -39.7451 -39.7250 -39.7250 -17.6746 -17.6746 -14.3552 -14.3552 -14.1133 -14.1132 -13.7160 -13.7160 -4.4252 -4.4251 -2.9248 -2.9246 -2.5630 -2.5627 -2.1829 -2.1826 0.5162 0.5167 0.9824 0.9849 1.2236 1.2267 1.5639 1.5660 2.2432 2.2446 2.5280 2.5291 2.9663 2.9665 3.4794 3.4798 9.1566 9.1568 10.9390 10.9393 11.6666 11.6669 12.2814 12.2816 k = 0.4615-0.0155 0.5185 ( 9480 PWs) bands (ev): -40.7523 -40.7523 -40.7432 -40.7432 -39.7450 -39.7450 -39.7249 -39.7249 -17.6756 -17.6756 -14.3555 -14.3555 -14.1129 -14.1129 -13.7144 -13.7143 -4.4277 -4.4277 -2.9217 -2.9215 -2.5615 -2.5612 -2.1814 -2.1811 0.5117 0.5124 0.9816 0.9847 1.2250 1.2291 1.5660 1.5688 2.2430 2.2449 2.5318 2.5333 2.9654 2.9657 3.4768 3.4774 9.1506 9.1510 10.9410 10.9413 11.6688 11.6691 12.2788 12.2791 k = 0.4519-0.0152 0.5077 ( 9484 PWs) bands (ev): -40.7524 -40.7524 -40.7433 -40.7433 -39.7450 -39.7450 -39.7248 -39.7248 -17.6769 -17.6769 -14.3558 -14.3558 -14.1125 -14.1125 -13.7122 -13.7122 -4.4309 -4.4309 -2.9177 -2.9174 -2.5596 -2.5592 -2.1795 -2.1791 0.5060 0.5068 0.9808 0.9845 1.2268 1.2318 1.5687 1.5723 2.2429 2.2452 2.5366 2.5384 2.9642 2.9646 3.4735 3.4742 9.1431 9.1435 10.9432 10.9436 11.6712 11.6716 12.2756 12.2759 k = 0.4423-0.0149 0.4969 ( 9487 PWs) bands (ev): -40.7526 -40.7526 -40.7434 -40.7434 -39.7449 -39.7449 -39.7246 -39.7246 -17.6785 -17.6785 -14.3562 -14.3562 -14.1120 -14.1119 -13.7096 -13.7096 -4.4349 -4.4348 -2.9127 -2.9124 -2.5573 -2.5568 -2.1772 -2.1768 0.4991 0.5001 0.9801 0.9844 1.2290 1.2347 1.5721 1.5764 2.2430 2.2456 2.5422 2.5443 2.9628 2.9633 3.4694 3.4703 9.1340 9.1345 10.9455 10.9459 11.6736 11.6741 12.2717 12.2721 k = 0.4327-0.0146 0.4861 ( 9496 PWs) bands (ev): -40.7527 -40.7527 -40.7435 -40.7435 -39.7448 -39.7448 -39.7244 -39.7244 -17.6804 -17.6804 -14.3567 -14.3567 -14.1114 -14.1114 -13.7066 -13.7066 -4.4394 -4.4394 -2.9069 -2.9065 -2.5546 -2.5539 -2.1745 -2.1739 0.4912 0.4924 0.9796 0.9844 1.2314 1.2379 1.5761 1.5811 2.2434 2.2464 2.5485 2.5509 2.9613 2.9618 3.4646 3.4656 9.1235 9.1240 10.9477 10.9481 11.6758 11.6764 12.2672 12.2676 k = 0.4231-0.0142 0.4753 ( 9496 PWs) bands (ev): -40.7529 -40.7529 -40.7436 -40.7436 -39.7447 -39.7447 -39.7242 -39.7242 -17.6826 -17.6826 -14.3573 -14.3572 -14.1108 -14.1108 -13.7031 -13.7031 -4.4447 -4.4446 -2.9002 -2.8997 -2.5514 -2.5507 -2.1713 -2.1706 0.4823 0.4836 0.9794 0.9846 1.2340 1.2411 1.5807 1.5863 2.2441 2.2474 2.5554 2.5579 2.9596 2.9602 3.4591 3.4602 9.1115 9.1121 10.9494 10.9499 11.6774 11.6781 12.2622 12.2626 k = 0.4135-0.0139 0.4645 ( 9495 PWs) bands (ev): -40.7532 -40.7532 -40.7437 -40.7437 -39.7446 -39.7446 -39.7239 -39.7239 -17.6850 -17.6850 -14.3579 -14.3578 -14.1102 -14.1101 -13.6991 -13.6991 -4.4506 -4.4505 -2.8926 -2.8920 -2.5478 -2.5470 -2.1676 -2.1669 0.4725 0.4739 0.9794 0.9850 1.2368 1.2445 1.5857 1.5920 2.2453 2.2488 2.5626 2.5653 2.9577 2.9584 3.4527 3.4540 9.0982 9.0988 10.9504 10.9510 11.6779 11.6788 12.2566 12.2570 k = 0.4038-0.0136 0.4537 ( 9502 PWs) bands (ev): -40.7534 -40.7534 -40.7439 -40.7439 -39.7445 -39.7445 -39.7237 -39.7237 -17.6876 -17.6876 -14.3586 -14.3585 -14.1095 -14.1094 -13.6947 -13.6947 -4.4571 -4.4570 -2.8841 -2.8835 -2.5438 -2.5429 -2.1635 -2.1627 0.4619 0.4634 0.9798 0.9856 1.2396 1.2479 1.5912 1.5981 2.2469 2.2507 2.5700 2.5729 2.9558 2.9566 3.4455 3.4469 9.0836 9.0843 10.9504 10.9510 11.6770 11.6780 12.2506 12.2510 k = 0.3942-0.0133 0.4429 ( 9508 PWs) bands (ev): -40.7537 -40.7537 -40.7440 -40.7440 -39.7444 -39.7444 -39.7234 -39.7234 -17.6904 -17.6904 -14.3593 -14.3593 -14.1088 -14.1087 -13.6899 -13.6899 -4.4642 -4.4641 -2.8747 -2.8740 -2.5394 -2.5384 -2.1590 -2.1581 0.4506 0.4521 0.9804 0.9864 1.2427 1.2514 1.5971 1.6046 2.2490 2.2530 2.5774 2.5804 2.9538 2.9547 3.4376 3.4391 9.0678 9.0686 10.9490 10.9497 11.6741 11.6753 12.2441 12.2446 k = 0.3846-0.0129 0.4321 ( 9506 PWs) bands (ev): -40.7540 -40.7540 -40.7442 -40.7442 -39.7443 -39.7443 -39.7231 -39.7231 -17.6935 -17.6935 -14.3602 -14.3601 -14.1082 -14.1081 -13.6847 -13.6846 -4.4719 -4.4717 -2.8645 -2.8637 -2.5346 -2.5335 -2.1539 -2.1530 0.4386 0.4403 0.9812 0.9873 1.2459 1.2551 1.6032 1.6113 2.2517 2.2559 2.5847 2.5879 2.9517 2.9527 3.4288 3.4304 9.0509 9.0517 10.9461 10.9467 11.6688 11.6701 12.2371 12.2376 k = 0.3750-0.0126 0.4213 ( 9502 PWs) bands (ev): -40.7543 -40.7543 -40.7443 -40.7443 -39.7441 -39.7441 -39.7227 -39.7227 -17.6967 -17.6967 -14.3610 -14.3610 -14.1075 -14.1075 -13.6790 -13.6790 -4.4800 -4.4799 -2.8534 -2.8526 -2.5294 -2.5283 -2.1484 -2.1475 0.4261 0.4279 0.9822 0.9883 1.2494 1.2590 1.6097 1.6183 2.2550 2.2594 2.5918 2.5950 2.9496 2.9507 3.4191 3.4209 9.0328 9.0336 10.9412 10.9419 11.6606 11.6620 12.2295 12.2301 k = 0.3654-0.0123 0.4105 ( 9501 PWs) bands (ev): -40.7546 -40.7546 -40.7445 -40.7445 -39.7439 -39.7439 -39.7223 -39.7223 -17.7001 -17.7001 -14.3620 -14.3619 -14.1070 -14.1069 -13.6730 -13.6729 -4.4887 -4.4886 -2.8414 -2.8406 -2.5238 -2.5226 -2.1425 -2.1415 0.4133 0.4151 0.9832 0.9893 1.2533 1.2632 1.6163 1.6254 2.2589 2.2634 2.5986 2.6019 2.9474 2.9486 3.4086 3.4106 9.0137 9.0145 10.9342 10.9349 11.6491 11.6507 12.2211 12.2217 k = 0.3558-0.0120 0.3997 ( 9499 PWs) bands (ev): -40.7550 -40.7550 -40.7447 -40.7447 -39.7438 -39.7438 -39.7220 -39.7220 -17.7037 -17.7037 -14.3630 -14.3629 -14.1064 -14.1064 -13.6666 -13.6665 -4.4979 -4.4977 -2.8287 -2.8278 -2.5179 -2.5166 -2.1361 -2.1351 0.4001 0.4020 0.9840 0.9901 1.2577 1.2680 1.6230 1.6326 2.2635 2.2681 2.6048 2.6082 2.9452 2.9465 3.3973 3.3994 8.9935 8.9944 10.9248 10.9256 11.6342 11.6359 12.2116 12.2122 k = 0.3462-0.0117 0.3889 ( 9496 PWs) bands (ev): -40.7553 -40.7553 -40.7449 -40.7449 -39.7436 -39.7436 -39.7216 -39.7216 -17.7074 -17.7074 -14.3641 -14.3640 -14.1060 -14.1059 -13.6598 -13.6598 -4.5074 -4.5073 -2.8151 -2.8141 -2.5115 -2.5101 -2.1293 -2.1282 0.3867 0.3886 0.9846 0.9905 1.2628 1.2733 1.6299 1.6399 2.2686 2.2734 2.6106 2.6140 2.9429 2.9443 3.3851 3.3873 8.9723 8.9731 10.9130 10.9137 11.6157 11.6174 12.2006 12.2013 k = 0.3365-0.0113 0.3781 ( 9499 PWs) bands (ev): -40.7557 -40.7557 -40.7451 -40.7451 -39.7434 -39.7434 -39.7212 -39.7212 -17.7112 -17.7112 -14.3652 -14.3651 -14.1057 -14.1056 -13.6527 -13.6527 -4.5173 -4.5172 -2.8008 -2.7997 -2.5048 -2.5034 -2.1220 -2.1209 0.3732 0.3751 0.9848 0.9906 1.2686 1.2795 1.6368 1.6473 2.2744 2.2793 2.6157 2.6192 2.9404 2.9420 3.3720 3.3744 8.9500 8.9508 10.8985 10.8993 11.5936 11.5954 12.1876 12.1884 k = 0.3269-0.0110 0.3673 ( 9495 PWs) bands (ev): -40.7561 -40.7561 -40.7453 -40.7453 -39.7432 -39.7432 -39.7207 -39.7207 -17.7151 -17.7151 -14.3663 -14.3662 -14.1054 -14.1053 -13.6454 -13.6453 -4.5276 -4.5275 -2.7857 -2.7846 -2.4978 -2.4962 -2.1143 -2.1131 0.3596 0.3616 0.9845 0.9900 1.2754 1.2865 1.6437 1.6546 2.2809 2.2858 2.6202 2.6237 2.9377 2.9395 3.3581 3.3606 8.9266 8.9275 10.8815 10.8823 11.5682 11.5700 12.1722 12.1731 k = 0.3173-0.0107 0.3565 ( 9493 PWs) bands (ev): -40.7565 -40.7565 -40.7455 -40.7455 -39.7430 -39.7430 -39.7203 -39.7203 -17.7191 -17.7191 -14.3675 -14.3674 -14.1053 -14.1052 -13.6377 -13.6377 -4.5382 -4.5381 -2.7699 -2.7687 -2.4904 -2.4888 -2.1062 -2.1050 0.3461 0.3481 0.9835 0.9887 1.2832 1.2945 1.6506 1.6619 2.2879 2.2929 2.6240 2.6275 2.9349 2.9368 3.3434 3.3460 8.9021 8.9030 10.8620 10.8628 11.5397 11.5415 12.1542 12.1552 k = 0.3077-0.0104 0.3457 ( 9493 PWs) bands (ev): -40.7569 -40.7569 -40.7458 -40.7458 -39.7427 -39.7427 -39.7198 -39.7198 -17.7232 -17.7232 -14.3687 -14.3687 -14.1053 -14.1052 -13.6298 -13.6298 -4.5490 -4.5489 -2.7534 -2.7521 -2.4827 -2.4810 -2.0978 -2.0965 0.3326 0.3346 0.9817 0.9867 1.2921 1.3036 1.6576 1.6692 2.2955 2.3005 2.6271 2.6307 2.9316 2.9338 3.3278 3.3306 8.8765 8.8774 10.8401 10.8409 11.5084 11.5102 12.1332 12.1345 k = 0.2981-0.0100 0.3349 ( 9490 PWs) bands (ev): -40.7573 -40.7573 -40.7460 -40.7460 -39.7425 -39.7425 -39.7194 -39.7194 -17.7273 -17.7273 -14.3700 -14.3699 -14.1054 -14.1053 -13.6218 -13.6217 -4.5600 -4.5599 -2.7362 -2.7349 -2.4746 -2.4728 -2.0889 -2.0876 0.3194 0.3214 0.9790 0.9837 1.3023 1.3139 1.6646 1.6764 2.3037 2.3087 2.6295 2.6332 2.9280 2.9303 3.3115 3.3144 8.8497 8.8506 10.8161 10.8168 11.4748 11.4765 12.1094 12.1108 k = 0.2885-0.0097 0.3241 ( 9492 PWs) bands (ev): -40.7578 -40.7578 -40.7462 -40.7462 -39.7423 -39.7423 -39.7189 -39.7189 -17.7315 -17.7315 -14.3713 -14.3712 -14.1056 -14.1055 -13.6135 -13.6134 -4.5712 -4.5711 -2.7185 -2.7170 -2.4663 -2.4644 -2.0798 -2.0784 0.3063 0.3083 0.9754 0.9798 1.3137 1.3254 1.6716 1.6837 2.3123 2.3174 2.6313 2.6351 2.9240 2.9264 3.2943 3.2974 8.8217 8.8225 10.7902 10.7908 11.4393 11.4410 12.0827 12.0842 k = 0.2788-0.0094 0.3133 ( 9489 PWs) bands (ev): -40.7582 -40.7582 -40.7465 -40.7465 -39.7420 -39.7420 -39.7185 -39.7185 -17.7356 -17.7356 -14.3726 -14.3725 -14.1060 -14.1059 -13.6051 -13.6050 -4.5825 -4.5824 -2.7002 -2.6987 -2.4576 -2.4556 -2.0703 -2.0689 0.2935 0.2955 0.9709 0.9750 1.3263 1.3381 1.6786 1.6910 2.3215 2.3266 2.6325 2.6363 2.9193 2.9220 3.2764 3.2797 8.7924 8.7932 10.7627 10.7633 11.4023 11.4039 12.0534 12.0550 k = 0.2692-0.0091 0.3025 ( 9492 PWs) bands (ev): -40.7587 -40.7587 -40.7467 -40.7467 -39.7418 -39.7418 -39.7180 -39.7180 -17.7398 -17.7398 -14.3738 -14.3738 -14.1064 -14.1063 -13.5966 -13.5965 -4.5939 -4.5938 -2.6813 -2.6798 -2.4487 -2.4466 -2.0605 -2.0592 0.2810 0.2830 0.9654 0.9692 1.3401 1.3520 1.6857 1.6983 2.3310 2.3362 2.6331 2.6370 2.9140 2.9169 3.2578 3.2612 8.7618 8.7626 10.7340 10.7346 11.3643 11.3658 12.0216 12.0234 k = 0.2596-0.0087 0.2917 ( 9488 PWs) bands (ev): -40.7591 -40.7591 -40.7469 -40.7469 -39.7415 -39.7415 -39.7175 -39.7175 -17.7439 -17.7439 -14.3751 -14.3751 -14.1070 -14.1070 -13.5880 -13.5880 -4.6053 -4.6052 -2.6621 -2.6604 -2.4395 -2.4374 -2.0506 -2.0492 0.2689 0.2709 0.9590 0.9626 1.3551 1.3670 1.6929 1.7056 2.3409 2.3461 2.6332 2.6372 2.9081 2.9111 3.2385 3.2421 8.7298 8.7307 10.7045 10.7050 11.3255 11.3270 11.9877 11.9895 k = 0.2500-0.0084 0.2809 ( 9495 PWs) bands (ev): -40.7596 -40.7596 -40.7472 -40.7472 -39.7413 -39.7413 -39.7171 -39.7171 -17.7480 -17.7480 -14.3764 -14.3764 -14.1078 -14.1077 -13.5794 -13.5793 -4.6167 -4.6165 -2.6424 -2.6407 -2.4301 -2.4279 -2.0404 -2.0390 0.2572 0.2591 0.9518 0.9551 1.3712 1.3831 1.7003 1.7131 2.3512 2.3564 2.6328 2.6369 2.9014 2.9046 3.2186 3.2223 8.6966 8.6974 10.6745 10.6750 11.2864 11.2878 11.9519 11.9538 k = 0.2404-0.0081 0.2701 ( 9500 PWs) bands (ev): -40.7600 -40.7600 -40.7474 -40.7474 -39.7410 -39.7410 -39.7166 -39.7166 -17.7521 -17.7521 -14.3777 -14.3777 -14.1086 -14.1085 -13.5708 -13.5707 -4.6280 -4.6278 -2.6225 -2.6206 -2.4205 -2.4181 -2.0300 -2.0286 0.2459 0.2478 0.9439 0.9468 1.3882 1.4001 1.7079 1.7208 2.3616 2.3669 2.6319 2.6362 2.8939 2.8973 3.1981 3.2020 8.6620 8.6628 10.6446 10.6451 11.2472 11.2486 11.9146 11.9166 k = 0.2308-0.0078 0.2593 ( 9498 PWs) bands (ev): -40.7605 -40.7605 -40.7477 -40.7477 -39.7408 -39.7408 -39.7162 -39.7162 -17.7561 -17.7560 -14.3790 -14.3789 -14.1095 -14.1094 -13.5622 -13.5622 -4.6392 -4.6390 -2.6023 -2.6003 -2.4107 -2.4082 -2.0196 -2.0182 0.2350 0.2368 0.9352 0.9379 1.4061 1.4180 1.7157 1.7287 2.3723 2.3776 2.6307 2.6350 2.8856 2.8892 3.1771 3.1812 8.6261 8.6269 10.6150 10.6154 11.2082 11.2095 11.8760 11.8781 k = 0.2212-0.0074 0.2485 ( 9494 PWs) bands (ev): -40.7609 -40.7609 -40.7479 -40.7479 -39.7405 -39.7405 -39.7157 -39.7157 -17.7600 -17.7600 -14.3803 -14.3802 -14.1105 -14.1105 -13.5537 -13.5537 -4.6502 -4.6501 -2.5819 -2.5798 -2.4007 -2.3982 -2.0090 -2.0076 0.2245 0.2263 0.9258 0.9283 1.4248 1.4366 1.7238 1.7368 2.3830 2.3884 2.6290 2.6335 2.8766 2.8804 3.1557 3.1599 8.5890 8.5898 10.5861 10.5865 11.1697 11.1709 11.8366 11.8387 k = 0.2115-0.0071 0.2376 ( 9493 PWs) bands (ev): -40.7614 -40.7614 -40.7481 -40.7481 -39.7403 -39.7403 -39.7153 -39.7153 -17.7638 -17.7638 -14.3815 -14.3815 -14.1116 -14.1116 -13.5453 -13.5453 -4.6611 -4.6610 -2.5613 -2.5592 -2.3907 -2.3880 -1.9985 -1.9971 0.2145 0.2163 0.9160 0.9183 1.4441 1.4558 1.7322 1.7452 2.3937 2.3992 2.6270 2.6316 2.8669 2.8709 3.1338 3.1383 8.5508 8.5516 10.5583 10.5585 11.1317 11.1329 11.7964 11.7985 k = 0.2019-0.0068 0.2268 ( 9494 PWs) bands (ev): -40.7618 -40.7618 -40.7484 -40.7484 -39.7400 -39.7400 -39.7148 -39.7148 -17.7675 -17.7675 -14.3828 -14.3827 -14.1128 -14.1127 -13.5371 -13.5371 -4.6717 -4.6716 -2.5408 -2.5385 -2.3806 -2.3778 -1.9879 -1.9865 0.2050 0.2067 0.9057 0.9078 1.4639 1.4756 1.7411 1.7540 2.4042 2.4098 2.6245 2.6294 2.8565 2.8608 3.1117 3.1163 8.5116 8.5123 10.5316 10.5319 11.0946 11.0957 11.7559 11.7580 k = 0.1923-0.0065 0.2160 ( 9495 PWs) bands (ev): -40.7622 -40.7622 -40.7486 -40.7486 -39.7397 -39.7397 -39.7144 -39.7144 -17.7711 -17.7711 -14.3840 -14.3839 -14.1140 -14.1140 -13.5290 -13.5290 -4.6821 -4.6820 -2.5204 -2.5179 -2.3704 -2.3675 -1.9775 -1.9761 0.1959 0.1976 0.8950 0.8969 1.4842 1.4956 1.7504 1.7632 2.4145 2.4202 2.6217 2.6268 2.8457 2.8502 3.0894 3.0942 8.4716 8.4723 10.5065 10.5067 11.0584 11.0595 11.7153 11.7174 k = 0.1827-0.0061 0.2052 ( 9492 PWs) bands (ev): -40.7627 -40.7627 -40.7488 -40.7488 -39.7395 -39.7395 -39.7140 -39.7140 -17.7746 -17.7746 -14.3851 -14.3851 -14.1153 -14.1152 -13.5212 -13.5211 -4.6922 -4.6921 -2.5000 -2.4975 -2.3603 -2.3573 -1.9671 -1.9657 0.1874 0.1890 0.8840 0.8858 1.5047 1.5160 1.7602 1.7729 2.4243 2.4302 2.6184 2.6237 2.8346 2.8393 3.0670 3.0719 8.4310 8.4316 10.4830 10.4831 11.0234 11.0244 11.6748 11.6769 k = 0.1731-0.0058 0.1944 ( 9494 PWs) bands (ev): -40.7631 -40.7631 -40.7490 -40.7490 -39.7393 -39.7393 -39.7136 -39.7136 -17.7779 -17.7779 -14.3863 -14.3862 -14.1166 -14.1165 -13.5136 -13.5135 -4.7019 -4.7018 -2.4800 -2.4773 -2.3502 -2.3471 -1.9569 -1.9555 0.1793 0.1808 0.8729 0.8746 1.5254 1.5364 1.7705 1.7831 2.4336 2.4396 2.6146 2.6202 2.8233 2.8283 3.0446 3.0497 8.3899 8.3906 10.4612 10.4613 10.9895 10.9905 11.6348 11.6368 k = 0.1635-0.0055 0.1836 ( 9497 PWs) bands (ev): -40.7635 -40.7635 -40.7492 -40.7492 -39.7390 -39.7390 -39.7132 -39.7132 -17.7811 -17.7811 -14.3874 -14.3873 -14.1179 -14.1178 -13.5062 -13.5062 -4.7113 -4.7112 -2.4602 -2.4574 -2.3403 -2.3370 -1.9469 -1.9456 0.1717 0.1731 0.8617 0.8632 1.5461 1.5569 1.7815 1.7938 2.4421 2.4483 2.6102 2.6161 2.8123 2.8175 3.0223 3.0275 8.3488 8.3494 10.4413 10.4414 10.9571 10.9580 11.5953 11.5974 k = 0.1538-0.0052 0.1728 ( 9502 PWs) bands (ev): -40.7639 -40.7639 -40.7494 -40.7494 -39.7388 -39.7388 -39.7129 -39.7129 -17.7842 -17.7842 -14.3884 -14.3884 -14.1192 -14.1192 -13.4991 -13.4991 -4.7203 -4.7202 -2.4409 -2.4379 -2.3305 -2.3271 -1.9372 -1.9359 0.1646 0.1660 0.8505 0.8519 1.5668 1.5772 1.7931 1.8050 2.4497 2.4560 2.6052 2.6113 2.8017 2.8072 3.0003 3.0056 8.3077 8.3083 10.4232 10.4233 10.9260 10.9269 11.5568 11.5588 k = 0.1442-0.0049 0.1620 ( 9505 PWs) bands (ev): -40.7642 -40.7642 -40.7496 -40.7496 -39.7386 -39.7386 -39.7125 -39.7125 -17.7871 -17.7871 -14.3894 -14.3894 -14.1205 -14.1205 -13.4924 -13.4923 -4.7289 -4.7288 -2.4221 -2.4189 -2.3210 -2.3174 -1.9278 -1.9265 0.1579 0.1592 0.8394 0.8407 1.5872 1.5972 1.8052 1.8168 2.4562 2.4625 2.5993 2.6058 2.7920 2.7976 2.9787 2.9841 8.2671 8.2677 10.4069 10.4070 10.8965 10.8974 11.5193 11.5212 k = 0.1346-0.0045 0.1512 ( 9505 PWs) bands (ev): -40.7646 -40.7646 -40.7498 -40.7498 -39.7384 -39.7384 -39.7122 -39.7122 -17.7898 -17.7898 -14.3904 -14.3904 -14.1218 -14.1218 -13.4860 -13.4859 -4.7370 -4.7370 -2.4039 -2.4006 -2.3118 -2.3080 -1.9187 -1.9174 0.1518 0.1530 0.8285 0.8298 1.6073 1.6168 1.8180 1.8291 2.4613 2.4677 2.5925 2.5993 2.7833 2.7892 2.9576 2.9631 8.2273 8.2278 10.3924 10.3926 10.8687 10.8695 11.4831 11.4850 k = 0.1250-0.0042 0.1404 ( 9511 PWs) bands (ev): -40.7649 -40.7649 -40.7500 -40.7500 -39.7382 -39.7382 -39.7119 -39.7119 -17.7924 -17.7924 -14.3913 -14.3913 -14.1231 -14.1230 -13.4799 -13.4799 -4.7447 -4.7446 -2.3864 -2.3829 -2.3029 -2.2990 -1.9100 -1.9088 0.1461 0.1472 0.8179 0.8190 1.6270 1.6359 1.8313 1.8419 2.4649 2.4713 2.5849 2.5920 2.7761 2.7821 2.9373 2.9429 8.1884 8.1889 10.3796 10.3799 10.8425 10.8432 11.4484 11.4502 k = 0.1154-0.0039 0.1296 ( 9508 PWs) bands (ev): -40.7652 -40.7652 -40.7501 -40.7501 -39.7380 -39.7380 -39.7116 -39.7116 -17.7948 -17.7948 -14.3922 -14.3921 -14.1243 -14.1242 -13.4742 -13.4742 -4.7519 -4.7518 -2.3697 -2.3660 -2.2944 -2.2903 -1.9018 -1.9006 0.1409 0.1419 0.8076 0.8087 1.6460 1.6544 1.8451 1.8551 2.4668 2.4731 2.5764 2.5838 2.7705 2.7765 2.9180 2.9235 8.1510 8.1514 10.3685 10.3687 10.8181 10.8187 11.4154 11.4171 k = 0.1058-0.0036 0.1188 ( 9508 PWs) bands (ev): -40.7655 -40.7655 -40.7503 -40.7503 -39.7378 -39.7378 -39.7113 -39.7113 -17.7970 -17.7970 -14.3930 -14.3930 -14.1254 -14.1254 -13.4689 -13.4689 -4.7586 -4.7585 -2.3539 -2.3500 -2.2864 -2.2822 -1.8940 -1.8930 0.1361 0.1371 0.7978 0.7988 1.6644 1.6722 1.8593 1.8686 2.4670 2.4730 2.5673 2.5749 2.7664 2.7724 2.8998 2.9052 8.1152 8.1155 10.3588 10.3592 10.7954 10.7961 11.3842 11.3859 k = 0.0962-0.0032 0.1080 ( 9506 PWs) bands (ev): -40.7658 -40.7658 -40.7504 -40.7504 -39.7376 -39.7376 -39.7110 -39.7110 -17.7991 -17.7991 -14.3938 -14.3937 -14.1265 -14.1265 -13.4640 -13.4640 -4.7647 -4.7646 -2.3390 -2.3350 -2.2789 -2.2745 -1.8868 -1.8858 0.1318 0.1327 0.7886 0.7895 1.6820 1.6891 1.8737 1.8822 2.4653 2.4710 2.5579 2.5655 2.7639 2.7698 2.8829 2.8881 8.0813 8.0817 10.3507 10.3510 10.7747 10.7753 11.3551 11.3566 k = 0.0865-0.0029 0.0972 ( 9507 PWs) bands (ev): -40.7660 -40.7660 -40.7505 -40.7505 -39.7375 -39.7375 -39.7108 -39.7108 -17.8009 -17.8009 -14.3944 -14.3944 -14.1275 -14.1275 -13.4596 -13.4596 -4.7703 -4.7703 -2.3252 -2.3210 -2.2720 -2.2675 -1.8801 -1.8792 0.1279 0.1287 0.7800 0.7808 1.6987 1.7050 1.8880 1.8958 2.4619 2.4671 2.5484 2.5560 2.7626 2.7683 2.8674 2.8724 8.0497 8.0500 10.3437 10.3441 10.7558 10.7563 11.3282 11.3296 k = 0.0769-0.0026 0.0864 ( 9504 PWs) bands (ev): -40.7662 -40.7662 -40.7506 -40.7506 -39.7373 -39.7373 -39.7106 -39.7106 -17.8026 -17.8026 -14.3951 -14.3950 -14.1285 -14.1284 -13.4556 -13.4555 -4.7754 -4.7753 -2.3125 -2.3082 -2.2658 -2.2611 -1.8741 -1.8732 0.1244 0.1251 0.7720 0.7728 1.7143 1.7199 1.9022 1.9092 2.4569 2.4615 2.5391 2.5467 2.7624 2.7678 2.8537 2.8584 8.0207 8.0209 10.3380 10.3383 10.7389 10.7394 11.3036 11.3049 k = 0.0673-0.0023 0.0756 ( 9507 PWs) bands (ev): -40.7664 -40.7664 -40.7507 -40.7507 -39.7372 -39.7372 -39.7104 -39.7104 -17.8041 -17.8041 -14.3956 -14.3956 -14.1293 -14.1293 -13.4520 -13.4520 -4.7799 -4.7798 -2.3010 -2.2966 -2.2602 -2.2555 -1.8687 -1.8679 0.1214 0.1220 0.7648 0.7655 1.7287 1.7335 1.9159 1.9220 2.4506 2.4547 2.5305 2.5377 2.7629 2.7680 2.8417 2.8460 7.9944 7.9946 10.3333 10.3336 10.7239 10.7243 11.2816 11.2827 k = 0.0577-0.0019 0.0648 ( 9509 PWs) bands (ev): -40.7666 -40.7666 -40.7508 -40.7508 -39.7371 -39.7371 -39.7102 -39.7102 -17.8054 -17.8054 -14.3961 -14.3961 -14.1300 -14.1300 -13.4489 -13.4489 -4.7838 -4.7837 -2.2907 -2.2863 -2.2553 -2.2507 -1.8639 -1.8632 0.1188 0.1193 0.7585 0.7591 1.7417 1.7458 1.9288 1.9341 2.4435 2.4471 2.5226 2.5293 2.7637 2.7684 2.8316 2.8354 7.9711 7.9713 10.3295 10.3298 10.7109 10.7113 11.2622 11.2632 k = 0.0481-0.0016 0.0540 ( 9510 PWs) bands (ev): -40.7668 -40.7668 -40.7509 -40.7509 -39.7370 -39.7370 -39.7101 -39.7101 -17.8065 -17.8065 -14.3965 -14.3965 -14.1307 -14.1307 -13.4462 -13.4462 -4.7871 -4.7871 -2.2817 -2.2774 -2.2512 -2.2467 -1.8598 -1.8592 0.1166 0.1171 0.7530 0.7535 1.7532 1.7566 1.9406 1.9450 2.4363 2.4393 2.5157 2.5217 2.7647 2.7688 2.8235 2.8268 7.9510 7.9512 10.3265 10.3267 10.6999 10.7002 11.2455 11.2464 k = 0.0385-0.0013 0.0432 ( 9509 PWs) bands (ev): -40.7669 -40.7669 -40.7510 -40.7510 -39.7369 -39.7369 -39.7100 -39.7100 -17.8074 -17.8074 -14.3969 -14.3968 -14.1312 -14.1312 -13.4441 -13.4440 -4.7898 -4.7898 -2.2741 -2.2700 -2.2478 -2.2435 -1.8564 -1.8559 0.1149 0.1152 0.7485 0.7489 1.7630 1.7657 1.9509 1.9545 2.4294 2.4318 2.5098 2.5149 2.7655 2.7690 2.8174 2.8200 7.9344 7.9345 10.3242 10.3244 10.6909 10.6912 11.2317 11.2325 k = 0.0288-0.0010 0.0324 ( 9517 PWs) bands (ev): -40.7670 -40.7670 -40.7510 -40.7510 -39.7369 -39.7369 -39.7099 -39.7099 -17.8081 -17.8081 -14.3971 -14.3971 -14.1316 -14.1316 -13.4424 -13.4423 -4.7920 -4.7919 -2.2679 -2.2643 -2.2451 -2.2413 -1.8537 -1.8534 0.1135 0.1138 0.7449 0.7452 1.7709 1.7729 1.9595 1.9622 2.4235 2.4253 2.5052 2.5092 2.7661 2.7689 2.8130 2.8150 7.9213 7.9214 10.3225 10.3227 10.6839 10.6841 11.2210 11.2215 k = 0.0192-0.0006 0.0216 ( 9520 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8086 -17.8086 -14.3973 -14.3973 -14.1319 -14.1319 -13.4411 -13.4411 -4.7935 -4.7935 -2.2631 -2.2604 -2.2429 -2.2401 -1.8518 -1.8516 0.1125 0.1127 0.7424 0.7426 1.7767 1.7781 1.9660 1.9678 2.4190 2.4202 2.5020 2.5047 2.7666 2.7685 2.8103 2.8117 7.9118 7.9119 10.3214 10.3215 10.6789 10.6791 11.2132 11.2136 k = 0.0096-0.0003 0.0108 ( 9531 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8089 -17.8089 -14.3974 -14.3974 -14.1321 -14.1321 -13.4404 -13.4404 -4.7944 -4.7944 -2.2598 -2.2584 -2.2412 -2.2397 -1.8506 -1.8505 0.1120 0.1121 0.7409 0.7410 1.7805 1.7811 1.9702 1.9711 2.4163 2.4169 2.5003 2.5017 2.7670 2.7680 2.8090 2.8097 7.9061 7.9061 10.3207 10.3208 10.6760 10.6760 11.2086 11.2088 k = 0.0000 0.0000 0.0000 ( 9535 PWs) bands (ev): -40.7671 -40.7671 -40.7511 -40.7511 -39.7368 -39.7368 -39.7098 -39.7098 -17.8090 -17.8090 -14.3975 -14.3975 -14.1321 -14.1321 -13.4402 -13.4402 -4.7947 -4.7947 -2.2582 -2.2582 -2.2401 -2.2401 -1.8502 -1.8502 0.1118 0.1118 0.7404 0.7404 1.7819 1.7819 1.9719 1.9719 2.4155 2.4155 2.5002 2.5002 2.7675 2.7675 2.8088 2.8088 7.9042 7.9042 10.3205 10.3205 10.6750 10.6750 11.2071 11.2071 Writing output data file Li4CO4.save init_run : 2.49s CPU 10.76s WALL ( 1 calls) electrons : 854.60s CPU 864.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.36s CPU 1.70s WALL ( 1 calls) Called by electrons: c_bands : 854.56s CPU 864.04s WALL ( 1 calls) v_of_rho : 0.28s CPU 1.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.27s CPU 0.44s WALL ( 1 calls) newd : 0.24s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 335 calls) cegterg : 792.69s CPU 798.98s WALL ( 746 calls) Called by sum_band: Called by *egterg: h_psi : 410.75s CPU 419.03s WALL ( 13683 calls) s_psi : 29.96s CPU 30.14s WALL ( 13683 calls) g_psi : 1.49s CPU 1.57s WALL ( 12602 calls) cdiaghg : 225.15s CPU 222.60s WALL ( 12937 calls) cegterg:over : 79.92s CPU 76.21s WALL ( 12602 calls) cegterg:upda : 27.78s CPU 31.94s WALL ( 12602 calls) cegterg:last : 20.34s CPU 21.21s WALL ( 2130 calls) Called by h_psi: h_psi:vloc : 334.07s CPU 340.36s WALL ( 13683 calls) h_psi:vnl : 75.95s CPU 77.16s WALL ( 13683 calls) add_vuspsi : 22.46s CPU 27.27s WALL ( 13683 calls) General routines calbec : 53.44s CPU 49.72s WALL ( 13683 calls) fft : 0.35s CPU 1.79s WALL ( 15 calls) fftw : 323.97s CPU 325.97s WALL ( 1292544 calls) davcio : 0.05s CPU 2.29s WALL ( 670 calls) Parallel routines fft_scatter : 224.05s CPU 209.52s WALL ( 1292559 calls) PWSCF : 15m29.75s CPU 18m 5.31s WALL This run was terminated on: 5:42:32 6Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=