Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:57:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaCuO2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 18 5 842 627 102 Max 23 19 6 846 644 106 Sum 801 667 199 30407 22865 3731 bravais-lattice index = 14 lattice parameter (alat) = 6.5384 a.u. unit-cell volume = 308.7366 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.538421 celldm(2)= 1.000000 celldm(3)= 1.763794 celldm(4)= 0.469503 celldm(5)= 0.469503 celldm(6)= 0.684742 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.684742 0.728785 0.000000 ) a(3) = ( 0.828106 0.358222 1.515549 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.939567 -0.324327 ) b(2) = ( 0.000000 1.372146 -0.324327 ) b(3) = ( 0.000000 0.000000 0.659827 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 509 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 k( 2) = ( 0.0086207 0.0037291 -0.0055918), wk = 0.0019646 k( 3) = ( 0.0172414 0.0074583 -0.0111837), wk = 0.0019646 k( 4) = ( 0.0258621 0.0111874 -0.0167755), wk = 0.0019646 k( 5) = ( 0.0344828 0.0149165 -0.0223674), wk = 0.0019646 k( 6) = ( 0.0431035 0.0186457 -0.0279592), wk = 0.0019646 k( 7) = ( 0.0517241 0.0223748 -0.0335510), wk = 0.0019646 k( 8) = ( 0.0603448 0.0261039 -0.0391429), wk = 0.0019646 k( 9) = ( 0.0689655 0.0298331 -0.0447347), wk = 0.0019646 k( 10) = ( 0.0775862 0.0335622 -0.0503266), wk = 0.0019646 k( 11) = ( 0.0862069 0.0372914 -0.0559184), wk = 0.0019646 k( 12) = ( 0.0948276 0.0410205 -0.0615103), wk = 0.0019646 k( 13) = ( 0.1034483 0.0447496 -0.0671021), wk = 0.0019646 k( 14) = ( 0.1120690 0.0484788 -0.0726939), wk = 0.0019646 k( 15) = ( 0.1206897 0.0522079 -0.0782858), wk = 0.0019646 k( 16) = ( 0.1293103 0.0559370 -0.0838776), wk = 0.0019646 k( 17) = ( 0.1379310 0.0596662 -0.0894695), wk = 0.0019646 k( 18) = ( 0.1465517 0.0633953 -0.0950613), wk = 0.0019646 k( 19) = ( 0.1551724 0.0671244 -0.1006531), wk = 0.0019646 k( 20) = ( 0.1637931 0.0708536 -0.1062450), wk = 0.0019646 k( 21) = ( 0.1724138 0.0745827 -0.1118368), wk = 0.0019646 k( 22) = ( 0.1810345 0.0783118 -0.1174287), wk = 0.0019646 k( 23) = ( 0.1896552 0.0820410 -0.1230205), wk = 0.0019646 k( 24) = ( 0.1982759 0.0857701 -0.1286123), wk = 0.0019646 k( 25) = ( 0.2068966 0.0894992 -0.1342042), wk = 0.0019646 k( 26) = ( 0.2155172 0.0932284 -0.1397960), wk = 0.0019646 k( 27) = ( 0.2241379 0.0969575 -0.1453879), wk = 0.0019646 k( 28) = ( 0.2327586 0.1006866 -0.1509797), wk = 0.0019646 k( 29) = ( 0.2413793 0.1044158 -0.1565715), wk = 0.0019646 k( 30) = ( 0.2500000 0.1081449 -0.1621634), wk = 0.0019646 k( 31) = ( 0.2586207 0.1118741 -0.1677552), wk = 0.0019646 k( 32) = ( 0.2672414 0.1156032 -0.1733471), wk = 0.0019646 k( 33) = ( 0.2758621 0.1193323 -0.1789389), wk = 0.0019646 k( 34) = ( 0.2844828 0.1230615 -0.1845307), wk = 0.0019646 k( 35) = ( 0.2931034 0.1267906 -0.1901226), wk = 0.0019646 k( 36) = ( 0.3017241 0.1305197 -0.1957144), wk = 0.0019646 k( 37) = ( 0.3103448 0.1342489 -0.2013063), wk = 0.0019646 k( 38) = ( 0.3189655 0.1379780 -0.2068981), wk = 0.0019646 k( 39) = ( 0.3275862 0.1417071 -0.2124900), wk = 0.0019646 k( 40) = ( 0.3362069 0.1454363 -0.2180818), wk = 0.0019646 k( 41) = ( 0.3448276 0.1491654 -0.2236736), wk = 0.0019646 k( 42) = ( 0.3534483 0.1528945 -0.2292655), wk = 0.0019646 k( 43) = ( 0.3620690 0.1566237 -0.2348573), wk = 0.0019646 k( 44) = ( 0.3706897 0.1603528 -0.2404492), wk = 0.0019646 k( 45) = ( 0.3793103 0.1640819 -0.2460410), wk = 0.0019646 k( 46) = ( 0.3879310 0.1678111 -0.2516328), wk = 0.0019646 k( 47) = ( 0.3965517 0.1715402 -0.2572247), wk = 0.0019646 k( 48) = ( 0.4051724 0.1752693 -0.2628165), wk = 0.0019646 k( 49) = ( 0.4137931 0.1789985 -0.2684084), wk = 0.0019646 k( 50) = ( 0.4224138 0.1827276 -0.2740002), wk = 0.0019646 k( 51) = ( 0.4310345 0.1864568 -0.2795920), wk = 0.0019646 k( 52) = ( 0.4396552 0.1901859 -0.2851839), wk = 0.0019646 k( 53) = ( 0.4482759 0.1939150 -0.2907757), wk = 0.0019646 k( 54) = ( 0.4568966 0.1976442 -0.2963676), wk = 0.0019646 k( 55) = ( 0.4655172 0.2013733 -0.3019594), wk = 0.0019646 k( 56) = ( 0.4741379 0.2051024 -0.3075512), wk = 0.0019646 k( 57) = ( 0.4827586 0.2088316 -0.3131431), wk = 0.0019646 k( 58) = ( 0.4913793 0.2125607 -0.3187349), wk = 0.0019646 k( 59) = ( 0.5000000 0.2162898 -0.3243268), wk = 0.0019646 k( 60) = ( 0.5000000 0.2162898 -0.3243268), wk = 0.0019646 k( 61) = ( 0.5030526 0.2176103 -0.3187400), wk = 0.0019646 k( 62) = ( 0.5030526 0.2176103 -0.3187400), wk = 0.0019646 k( 63) = ( 0.5029509 0.2175663 -0.3079291), wk = 0.0019646 k( 64) = ( 0.5028491 0.2175223 -0.2971182), wk = 0.0019646 k( 65) = ( 0.5027474 0.2174783 -0.2863073), wk = 0.0019646 k( 66) = ( 0.5026456 0.2174343 -0.2754964), wk = 0.0019646 k( 67) = ( 0.5025439 0.2173903 -0.2646855), wk = 0.0019646 k( 68) = ( 0.5024421 0.2173462 -0.2538747), wk = 0.0019646 k( 69) = ( 0.5023404 0.2173022 -0.2430638), wk = 0.0019646 k( 70) = ( 0.5022386 0.2172582 -0.2322529), wk = 0.0019646 k( 71) = ( 0.5021368 0.2172142 -0.2214420), wk = 0.0019646 k( 72) = ( 0.5020351 0.2171702 -0.2106311), wk = 0.0019646 k( 73) = ( 0.5019333 0.2171262 -0.1998202), wk = 0.0019646 k( 74) = ( 0.5018316 0.2170821 -0.1890093), wk = 0.0019646 k( 75) = ( 0.5017298 0.2170381 -0.1781984), wk = 0.0019646 k( 76) = ( 0.5016281 0.2169941 -0.1673875), wk = 0.0019646 k( 77) = ( 0.5015263 0.2169501 -0.1565766), wk = 0.0019646 k( 78) = ( 0.5014246 0.2169061 -0.1457657), wk = 0.0019646 k( 79) = ( 0.5013228 0.2168621 -0.1349548), wk = 0.0019646 k( 80) = ( 0.5012211 0.2168180 -0.1241439), wk = 0.0019646 k( 81) = ( 0.5011193 0.2167740 -0.1133330), wk = 0.0019646 k( 82) = ( 0.5010176 0.2167300 -0.1025222), wk = 0.0019646 k( 83) = ( 0.5009158 0.2166860 -0.0917113), wk = 0.0019646 k( 84) = ( 0.5008140 0.2166420 -0.0809004), wk = 0.0019646 k( 85) = ( 0.5007123 0.2165980 -0.0700895), wk = 0.0019646 k( 86) = ( 0.5006105 0.2165539 -0.0592786), wk = 0.0019646 k( 87) = ( 0.5005088 0.2165099 -0.0484677), wk = 0.0019646 k( 88) = ( 0.5004070 0.2164659 -0.0376568), wk = 0.0019646 k( 89) = ( 0.5003053 0.2164219 -0.0268459), wk = 0.0019646 k( 90) = ( 0.5002035 0.2163779 -0.0160350), wk = 0.0019646 k( 91) = ( 0.5001018 0.2163338 -0.0052241), wk = 0.0019646 k( 92) = ( 0.5000000 0.2162898 0.0055868), wk = 0.0019646 k( 93) = ( 0.5000000 0.2162898 0.0055868), wk = 0.0019646 k( 94) = ( 0.5043210 0.2063009 0.0055868), wk = 0.0019646 k( 95) = ( 0.5086420 0.1963121 0.0055868), wk = 0.0019646 k( 96) = ( 0.5129630 0.1863232 0.0055868), wk = 0.0019646 k( 97) = ( 0.5172840 0.1763343 0.0055868), wk = 0.0019646 k( 98) = ( 0.5216050 0.1663454 0.0055868), wk = 0.0019646 k( 99) = ( 0.5259259 0.1563565 0.0055868), wk = 0.0019646 k( 100) = ( 0.5302469 0.1463676 0.0055868), wk = 0.0019646 k( 101) = ( 0.5345679 0.1363787 0.0055868), wk = 0.0019646 k( 102) = ( 0.5388889 0.1263898 0.0055868), wk = 0.0019646 k( 103) = ( 0.5432099 0.1164009 0.0055868), wk = 0.0019646 k( 104) = ( 0.5475309 0.1064120 0.0055868), wk = 0.0019646 k( 105) = ( 0.5518519 0.0964231 0.0055868), wk = 0.0019646 k( 106) = ( 0.5561729 0.0864342 0.0055868), wk = 0.0019646 k( 107) = ( 0.5604939 0.0764454 0.0055868), wk = 0.0019646 k( 108) = ( 0.5648149 0.0664565 0.0055868), wk = 0.0019646 k( 109) = ( 0.5691359 0.0564676 0.0055868), wk = 0.0019646 k( 110) = ( 0.5734569 0.0464787 0.0055868), wk = 0.0019646 k( 111) = ( 0.5777779 0.0364898 0.0055868), wk = 0.0019646 k( 112) = ( 0.5820988 0.0265009 0.0055868), wk = 0.0019646 k( 113) = ( 0.5864198 0.0165120 0.0055868), wk = 0.0019646 k( 114) = ( 0.5907408 0.0065231 0.0055868), wk = 0.0019646 k( 115) = ( 0.5950618 -0.0034658 0.0055868), wk = 0.0019646 k( 116) = ( 0.5993828 -0.0134547 0.0055868), wk = 0.0019646 k( 117) = ( 0.6037038 -0.0234436 0.0055868), wk = 0.0019646 k( 118) = ( 0.6080248 -0.0334325 0.0055868), wk = 0.0019646 k( 119) = ( 0.6123458 -0.0434214 0.0055868), wk = 0.0019646 k( 120) = ( 0.6166668 -0.0534102 0.0055868), wk = 0.0019646 k( 121) = ( 0.6209878 -0.0633992 0.0055868), wk = 0.0019646 k( 122) = ( 0.6253088 -0.0733880 0.0055868), wk = 0.0019646 k( 123) = ( 0.6296297 -0.0833769 0.0055868), wk = 0.0019646 k( 124) = ( 0.6339507 -0.0933658 0.0055868), wk = 0.0019646 k( 125) = ( 0.6382717 -0.1033547 0.0055868), wk = 0.0019646 k( 126) = ( 0.6425927 -0.1133436 0.0055868), wk = 0.0019646 k( 127) = ( 0.6469137 -0.1233325 0.0055868), wk = 0.0019646 k( 128) = ( 0.6512347 -0.1333214 0.0055868), wk = 0.0019646 k( 129) = ( 0.6555557 -0.1433103 0.0055868), wk = 0.0019646 k( 130) = ( 0.6598767 -0.1532992 0.0055868), wk = 0.0019646 k( 131) = ( 0.6641977 -0.1632881 0.0055868), wk = 0.0019646 k( 132) = ( 0.6685187 -0.1732769 0.0055868), wk = 0.0019646 k( 133) = ( 0.6728397 -0.1832659 0.0055868), wk = 0.0019646 k( 134) = ( 0.6771607 -0.1932547 0.0055868), wk = 0.0019646 k( 135) = ( 0.6814817 -0.2032436 0.0055868), wk = 0.0019646 k( 136) = ( 0.6858026 -0.2132325 0.0055868), wk = 0.0019646 k( 137) = ( 0.6901236 -0.2232214 0.0055868), wk = 0.0019646 k( 138) = ( 0.6944446 -0.2332103 0.0055868), wk = 0.0019646 k( 139) = ( 0.6987656 -0.2431992 0.0055868), wk = 0.0019646 k( 140) = ( 0.7030866 -0.2531881 0.0055868), wk = 0.0019646 k( 141) = ( 0.7074076 -0.2631770 0.0055868), wk = 0.0019646 k( 142) = ( 0.7117286 -0.2731659 0.0055868), wk = 0.0019646 k( 143) = ( 0.7160496 -0.2831548 0.0055868), wk = 0.0019646 k( 144) = ( 0.7203706 -0.2931437 0.0055868), wk = 0.0019646 k( 145) = ( 0.2796294 -0.6464230 0.3299135), wk = 0.0019646 k( 146) = ( 0.2752602 -0.6363226 0.3299135), wk = 0.0019646 k( 147) = ( 0.2708910 -0.6262222 0.3299135), wk = 0.0019646 k( 148) = ( 0.2665218 -0.6161219 0.3299135), wk = 0.0019646 k( 149) = ( 0.2621526 -0.6060215 0.3299135), wk = 0.0019646 k( 150) = ( 0.2577834 -0.5959212 0.3299135), wk = 0.0019646 k( 151) = ( 0.2534142 -0.5858208 0.3299135), wk = 0.0019646 k( 152) = ( 0.2490450 -0.5757204 0.3299135), wk = 0.0019646 k( 153) = ( 0.2446757 -0.5656201 0.3299135), wk = 0.0019646 k( 154) = ( 0.2403065 -0.5555197 0.3299135), wk = 0.0019646 k( 155) = ( 0.2359373 -0.5454194 0.3299135), wk = 0.0019646 k( 156) = ( 0.2315681 -0.5353190 0.3299135), wk = 0.0019646 k( 157) = ( 0.2271989 -0.5252186 0.3299135), wk = 0.0019646 k( 158) = ( 0.2228297 -0.5151183 0.3299135), wk = 0.0019646 k( 159) = ( 0.2184605 -0.5050179 0.3299135), wk = 0.0019646 k( 160) = ( 0.2140913 -0.4949176 0.3299135), wk = 0.0019646 k( 161) = ( 0.2097221 -0.4848172 0.3299135), wk = 0.0019646 k( 162) = ( 0.2053529 -0.4747169 0.3299135), wk = 0.0019646 k( 163) = ( 0.2009837 -0.4646165 0.3299135), wk = 0.0019646 k( 164) = ( 0.1966144 -0.4545161 0.3299135), wk = 0.0019646 k( 165) = ( 0.1922452 -0.4444158 0.3299135), wk = 0.0019646 k( 166) = ( 0.1878760 -0.4343154 0.3299135), wk = 0.0019646 k( 167) = ( 0.1835068 -0.4242151 0.3299135), wk = 0.0019646 k( 168) = ( 0.1791376 -0.4141147 0.3299135), wk = 0.0019646 k( 169) = ( 0.1747684 -0.4040143 0.3299135), wk = 0.0019646 k( 170) = ( 0.1703992 -0.3939140 0.3299135), wk = 0.0019646 k( 171) = ( 0.1660300 -0.3838136 0.3299135), wk = 0.0019646 k( 172) = ( 0.1616608 -0.3737133 0.3299135), wk = 0.0019646 k( 173) = ( 0.1572916 -0.3636129 0.3299135), wk = 0.0019646 k( 174) = ( 0.1529223 -0.3535125 0.3299135), wk = 0.0019646 k( 175) = ( 0.1485531 -0.3434122 0.3299135), wk = 0.0019646 k( 176) = ( 0.1441839 -0.3333118 0.3299135), wk = 0.0019646 k( 177) = ( 0.1398147 -0.3232115 0.3299135), wk = 0.0019646 k( 178) = ( 0.1354455 -0.3131111 0.3299135), wk = 0.0019646 k( 179) = ( 0.1310763 -0.3030107 0.3299135), wk = 0.0019646 k( 180) = ( 0.1267071 -0.2929104 0.3299135), wk = 0.0019646 k( 181) = ( 0.1223379 -0.2828100 0.3299135), wk = 0.0019646 k( 182) = ( 0.1179687 -0.2727097 0.3299135), wk = 0.0019646 k( 183) = ( 0.1135995 -0.2626093 0.3299135), wk = 0.0019646 k( 184) = ( 0.1092302 -0.2525090 0.3299135), wk = 0.0019646 k( 185) = ( 0.1048610 -0.2424086 0.3299135), wk = 0.0019646 k( 186) = ( 0.1004918 -0.2323082 0.3299135), wk = 0.0019646 k( 187) = ( 0.0961226 -0.2222079 0.3299135), wk = 0.0019646 k( 188) = ( 0.0917534 -0.2121075 0.3299135), wk = 0.0019646 k( 189) = ( 0.0873842 -0.2020072 0.3299135), wk = 0.0019646 k( 190) = ( 0.0830150 -0.1919068 0.3299135), wk = 0.0019646 k( 191) = ( 0.0786458 -0.1818065 0.3299135), wk = 0.0019646 k( 192) = ( 0.0742766 -0.1717061 0.3299135), wk = 0.0019646 k( 193) = ( 0.0699074 -0.1616057 0.3299135), wk = 0.0019646 k( 194) = ( 0.0655382 -0.1515054 0.3299135), wk = 0.0019646 k( 195) = ( 0.0611689 -0.1414050 0.3299135), wk = 0.0019646 k( 196) = ( 0.0567997 -0.1313047 0.3299135), wk = 0.0019646 k( 197) = ( 0.0524305 -0.1212043 0.3299135), wk = 0.0019646 k( 198) = ( 0.0480613 -0.1111039 0.3299135), wk = 0.0019646 k( 199) = ( 0.0436921 -0.1010036 0.3299135), wk = 0.0019646 k( 200) = ( 0.0393229 -0.0909032 0.3299135), wk = 0.0019646 k( 201) = ( 0.0349537 -0.0808029 0.3299135), wk = 0.0019646 k( 202) = ( 0.0305845 -0.0707025 0.3299135), wk = 0.0019646 k( 203) = ( 0.0262153 -0.0606022 0.3299135), wk = 0.0019646 k( 204) = ( 0.0218460 -0.0505018 0.3299135), wk = 0.0019646 k( 205) = ( 0.0174768 -0.0404014 0.3299135), wk = 0.0019646 k( 206) = ( 0.0131076 -0.0303011 0.3299135), wk = 0.0019646 k( 207) = ( 0.0087384 -0.0202007 0.3299135), wk = 0.0019646 k( 208) = ( 0.0043692 -0.0101004 0.3299135), wk = 0.0019646 k( 209) = ( 0.0000000 0.0000000 0.3299135), wk = 0.0019646 k( 210) = ( 0.0000000 0.0000000 0.3299135), wk = 0.0019646 k( 211) = ( 0.0099390 0.0042994 0.3299135), wk = 0.0019646 k( 212) = ( 0.0198779 0.0085988 0.3299135), wk = 0.0019646 k( 213) = ( 0.0298168 0.0128982 0.3299135), wk = 0.0019646 k( 214) = ( 0.0397558 0.0171975 0.3299135), wk = 0.0019646 k( 215) = ( 0.0496947 0.0214969 0.3299135), wk = 0.0019646 k( 216) = ( 0.0596337 0.0257963 0.3299135), wk = 0.0019646 k( 217) = ( 0.0695726 0.0300957 0.3299135), wk = 0.0019646 k( 218) = ( 0.0795116 0.0343951 0.3299135), wk = 0.0019646 k( 219) = ( 0.0894505 0.0386945 0.3299135), wk = 0.0019646 k( 220) = ( 0.0993895 0.0429939 0.3299135), wk = 0.0019646 k( 221) = ( 0.1093284 0.0472933 0.3299135), wk = 0.0019646 k( 222) = ( 0.1192674 0.0515926 0.3299135), wk = 0.0019646 k( 223) = ( 0.1292063 0.0558920 0.3299135), wk = 0.0019646 k( 224) = ( 0.1391453 0.0601914 0.3299135), wk = 0.0019646 k( 225) = ( 0.1490842 0.0644908 0.3299135), wk = 0.0019646 k( 226) = ( 0.1590232 0.0687902 0.3299135), wk = 0.0019646 k( 227) = ( 0.1689621 0.0730896 0.3299135), wk = 0.0019646 k( 228) = ( 0.1789011 0.0773890 0.3299135), wk = 0.0019646 k( 229) = ( 0.1888400 0.0816883 0.3299135), wk = 0.0019646 k( 230) = ( 0.1987789 0.0859877 0.3299135), wk = 0.0019646 k( 231) = ( 0.2087179 0.0902871 0.3299135), wk = 0.0019646 k( 232) = ( 0.2186568 0.0945865 0.3299135), wk = 0.0019646 k( 233) = ( 0.2285958 0.0988859 0.3299135), wk = 0.0019646 k( 234) = ( 0.2385347 0.1031853 0.3299135), wk = 0.0019646 k( 235) = ( 0.2484737 0.1074847 0.3299135), wk = 0.0019646 k( 236) = ( 0.2584126 0.1117840 0.3299135), wk = 0.0019646 k( 237) = ( 0.2683516 0.1160834 0.3299135), wk = 0.0019646 k( 238) = ( 0.2782905 0.1203828 0.3299135), wk = 0.0019646 k( 239) = ( 0.2882295 0.1246822 0.3299135), wk = 0.0019646 k( 240) = ( 0.2981684 0.1289816 0.3299135), wk = 0.0019646 k( 241) = ( 0.3081074 0.1332810 0.3299135), wk = 0.0019646 k( 242) = ( 0.3180463 0.1375804 0.3299135), wk = 0.0019646 k( 243) = ( 0.3279853 0.1418798 0.3299135), wk = 0.0019646 k( 244) = ( 0.3379242 0.1461791 0.3299135), wk = 0.0019646 k( 245) = ( 0.3478632 0.1504785 0.3299135), wk = 0.0019646 k( 246) = ( 0.3578021 0.1547779 0.3299135), wk = 0.0019646 k( 247) = ( 0.3677410 0.1590773 0.3299135), wk = 0.0019646 k( 248) = ( 0.3776800 0.1633767 0.3299135), wk = 0.0019646 k( 249) = ( 0.3876189 0.1676761 0.3299135), wk = 0.0019646 k( 250) = ( 0.3975579 0.1719755 0.3299135), wk = 0.0019646 k( 251) = ( 0.4074968 0.1762748 0.3299135), wk = 0.0019646 k( 252) = ( 0.4174358 0.1805742 0.3299135), wk = 0.0019646 k( 253) = ( 0.4273747 0.1848736 0.3299135), wk = 0.0019646 k( 254) = ( 0.4373137 0.1891730 0.3299135), wk = 0.0019646 k( 255) = ( 0.4472526 0.1934724 0.3299135), wk = 0.0019646 k( 256) = ( 0.4571916 0.1977718 0.3299135), wk = 0.0019646 k( 257) = ( 0.4671305 0.2020712 0.3299135), wk = 0.0019646 k( 258) = ( 0.4770695 0.2063705 0.3299135), wk = 0.0019646 k( 259) = ( 0.4870084 0.2106699 0.3299135), wk = 0.0019646 k( 260) = ( 0.4969474 0.2149693 0.3299135), wk = 0.0019646 k( 261) = ( 0.5000000 0.2162898 -0.3243268), wk = 0.0019646 k( 262) = ( 0.5043404 0.2062560 -0.3243268), wk = 0.0019646 k( 263) = ( 0.5086808 0.1962222 -0.3243268), wk = 0.0019646 k( 264) = ( 0.5130213 0.1861884 -0.3243268), wk = 0.0019646 k( 265) = ( 0.5173617 0.1761546 -0.3243268), wk = 0.0019646 k( 266) = ( 0.5217021 0.1661208 -0.3243268), wk = 0.0019646 k( 267) = ( 0.5260425 0.1560870 -0.3243268), wk = 0.0019646 k( 268) = ( 0.5303829 0.1460532 -0.3243268), wk = 0.0019646 k( 269) = ( 0.5347234 0.1360194 -0.3243268), wk = 0.0019646 k( 270) = ( 0.5390638 0.1259856 -0.3243268), wk = 0.0019646 k( 271) = ( 0.5434042 0.1159518 -0.3243268), wk = 0.0019646 k( 272) = ( 0.5477446 0.1059180 -0.3243268), wk = 0.0019646 k( 273) = ( 0.5520850 0.0958842 -0.3243268), wk = 0.0019646 k( 274) = ( 0.5564255 0.0858504 -0.3243268), wk = 0.0019646 k( 275) = ( 0.5607659 0.0758166 -0.3243268), wk = 0.0019646 k( 276) = ( 0.5651063 0.0657828 -0.3243268), wk = 0.0019646 k( 277) = ( 0.5694467 0.0557490 -0.3243268), wk = 0.0019646 k( 278) = ( 0.5737871 0.0457152 -0.3243268), wk = 0.0019646 k( 279) = ( 0.5781276 0.0356813 -0.3243268), wk = 0.0019646 k( 280) = ( 0.5824680 0.0256475 -0.3243268), wk = 0.0019646 k( 281) = ( 0.5868084 0.0156137 -0.3243268), wk = 0.0019646 k( 282) = ( 0.5911488 0.0055799 -0.3243268), wk = 0.0019646 k( 283) = ( 0.5954892 -0.0044539 -0.3243268), wk = 0.0019646 k( 284) = ( 0.5998297 -0.0144877 -0.3243268), wk = 0.0019646 k( 285) = ( 0.6041701 -0.0245215 -0.3243268), wk = 0.0019646 k( 286) = ( 0.6085105 -0.0345553 -0.3243268), wk = 0.0019646 k( 287) = ( 0.6128509 -0.0445891 -0.3243268), wk = 0.0019646 k( 288) = ( 0.6171913 -0.0546229 -0.3243268), wk = 0.0019646 k( 289) = ( 0.6215318 -0.0646567 -0.3243268), wk = 0.0019646 k( 290) = ( 0.6258722 -0.0746905 -0.3243268), wk = 0.0019646 k( 291) = ( 0.6302126 -0.0847243 -0.3243268), wk = 0.0019646 k( 292) = ( 0.6345530 -0.0947581 -0.3243268), wk = 0.0019646 k( 293) = ( 0.6388934 -0.1047919 -0.3243268), wk = 0.0019646 k( 294) = ( 0.6432339 -0.1148257 -0.3243268), wk = 0.0019646 k( 295) = ( 0.6475743 -0.1248596 -0.3243268), wk = 0.0019646 k( 296) = ( 0.6519147 -0.1348934 -0.3243268), wk = 0.0019646 k( 297) = ( 0.6562551 -0.1449272 -0.3243268), wk = 0.0019646 k( 298) = ( 0.6605956 -0.1549610 -0.3243268), wk = 0.0019646 k( 299) = ( 0.6649360 -0.1649948 -0.3243268), wk = 0.0019646 k( 300) = ( 0.6692764 -0.1750286 -0.3243268), wk = 0.0019646 k( 301) = ( 0.6736168 -0.1850624 -0.3243268), wk = 0.0019646 k( 302) = ( 0.6779572 -0.1950962 -0.3243268), wk = 0.0019646 k( 303) = ( 0.6822976 -0.2051300 -0.3243268), wk = 0.0019646 k( 304) = ( 0.6866381 -0.2151638 -0.3243268), wk = 0.0019646 k( 305) = ( 0.3133619 -0.7244028 -0.0000000), wk = 0.0019646 k( 306) = ( 0.3090097 -0.7143417 -0.0000000), wk = 0.0019646 k( 307) = ( 0.3046574 -0.7042805 0.0000000), wk = 0.0019646 k( 308) = ( 0.3003052 -0.6942194 0.0000000), wk = 0.0019646 k( 309) = ( 0.2959529 -0.6841582 0.0000000), wk = 0.0019646 k( 310) = ( 0.2916007 -0.6740971 -0.0000000), wk = 0.0019646 k( 311) = ( 0.2872484 -0.6640359 -0.0000000), wk = 0.0019646 k( 312) = ( 0.2828962 -0.6539748 0.0000000), wk = 0.0019646 k( 313) = ( 0.2785439 -0.6439136 0.0000000), wk = 0.0019646 k( 314) = ( 0.2741917 -0.6338525 -0.0000000), wk = 0.0019646 k( 315) = ( 0.2698394 -0.6237913 -0.0000000), wk = 0.0019646 k( 316) = ( 0.2654872 -0.6137302 0.0000000), wk = 0.0019646 k( 317) = ( 0.2611349 -0.6036690 -0.0000000), wk = 0.0019646 k( 318) = ( 0.2567827 -0.5936079 -0.0000000), wk = 0.0019646 k( 319) = ( 0.2524304 -0.5835467 -0.0000000), wk = 0.0019646 k( 320) = ( 0.2480782 -0.5734856 0.0000000), wk = 0.0019646 k( 321) = ( 0.2437259 -0.5634244 -0.0000000), wk = 0.0019646 k( 322) = ( 0.2393737 -0.5533633 -0.0000000), wk = 0.0019646 k( 323) = ( 0.2350214 -0.5433021 0.0000000), wk = 0.0019646 k( 324) = ( 0.2306692 -0.5332410 0.0000000), wk = 0.0019646 k( 325) = ( 0.2263169 -0.5231798 -0.0000000), wk = 0.0019646 k( 326) = ( 0.2219647 -0.5131187 -0.0000000), wk = 0.0019646 k( 327) = ( 0.2176125 -0.5030575 -0.0000000), wk = 0.0019646 k( 328) = ( 0.2132602 -0.4929964 -0.0000000), wk = 0.0019646 k( 329) = ( 0.2089080 -0.4829352 -0.0000000), wk = 0.0019646 k( 330) = ( 0.2045557 -0.4728741 0.0000000), wk = 0.0019646 k( 331) = ( 0.2002035 -0.4628129 0.0000000), wk = 0.0019646 k( 332) = ( 0.1958512 -0.4527518 -0.0000000), wk = 0.0019646 k( 333) = ( 0.1914990 -0.4426906 -0.0000000), wk = 0.0019646 k( 334) = ( 0.1871467 -0.4326295 0.0000000), wk = 0.0019646 k( 335) = ( 0.1827945 -0.4225683 -0.0000000), wk = 0.0019646 k( 336) = ( 0.1784422 -0.4125072 0.0000000), wk = 0.0019646 k( 337) = ( 0.1740900 -0.4024460 0.0000000), wk = 0.0019646 k( 338) = ( 0.1697377 -0.3923849 0.0000000), wk = 0.0019646 k( 339) = ( 0.1653855 -0.3823237 -0.0000000), wk = 0.0019646 k( 340) = ( 0.1610332 -0.3722626 -0.0000000), wk = 0.0019646 k( 341) = ( 0.1566810 -0.3622014 0.0000000), wk = 0.0019646 k( 342) = ( 0.1523287 -0.3521403 -0.0000000), wk = 0.0019646 k( 343) = ( 0.1479765 -0.3420791 0.0000000), wk = 0.0019646 k( 344) = ( 0.1436242 -0.3320180 -0.0000000), wk = 0.0019646 k( 345) = ( 0.1392720 -0.3219568 0.0000000), wk = 0.0019646 k( 346) = ( 0.1349197 -0.3118957 -0.0000000), wk = 0.0019646 k( 347) = ( 0.1305675 -0.3018345 -0.0000000), wk = 0.0019646 k( 348) = ( 0.1262152 -0.2917734 0.0000000), wk = 0.0019646 k( 349) = ( 0.1218630 -0.2817122 -0.0000000), wk = 0.0019646 k( 350) = ( 0.1175107 -0.2716510 -0.0000000), wk = 0.0019646 k( 351) = ( 0.1131585 -0.2615899 -0.0000000), wk = 0.0019646 k( 352) = ( 0.1088062 -0.2515288 0.0000000), wk = 0.0019646 k( 353) = ( 0.1044540 -0.2414676 -0.0000000), wk = 0.0019646 k( 354) = ( 0.1001017 -0.2314065 0.0000000), wk = 0.0019646 k( 355) = ( 0.0957495 -0.2213453 -0.0000000), wk = 0.0019646 k( 356) = ( 0.0913972 -0.2112842 -0.0000000), wk = 0.0019646 k( 357) = ( 0.0870450 -0.2012230 0.0000000), wk = 0.0019646 k( 358) = ( 0.0826927 -0.1911619 -0.0000000), wk = 0.0019646 k( 359) = ( 0.0783405 -0.1811007 -0.0000000), wk = 0.0019646 k( 360) = ( 0.0739882 -0.1710395 0.0000000), wk = 0.0019646 k( 361) = ( 0.0696360 -0.1609784 -0.0000000), wk = 0.0019646 k( 362) = ( 0.0652837 -0.1509173 0.0000000), wk = 0.0019646 k( 363) = ( 0.0609315 -0.1408561 0.0000000), wk = 0.0019646 k( 364) = ( 0.0565792 -0.1307950 -0.0000000), wk = 0.0019646 k( 365) = ( 0.0522270 -0.1207338 -0.0000000), wk = 0.0019646 k( 366) = ( 0.0478747 -0.1106727 -0.0000000), wk = 0.0019646 k( 367) = ( 0.0435225 -0.1006115 0.0000000), wk = 0.0019646 k( 368) = ( 0.0391702 -0.0905503 -0.0000000), wk = 0.0019646 k( 369) = ( 0.0348180 -0.0804892 0.0000000), wk = 0.0019646 k( 370) = ( 0.0304657 -0.0704280 -0.0000000), wk = 0.0019646 k( 371) = ( 0.0261135 -0.0603669 -0.0000000), wk = 0.0019646 k( 372) = ( 0.0217612 -0.0503058 -0.0000000), wk = 0.0019646 k( 373) = ( 0.0174090 -0.0402446 -0.0000000), wk = 0.0019646 k( 374) = ( 0.0130568 -0.0301835 -0.0000000), wk = 0.0019646 k( 375) = ( 0.0087045 -0.0201223 -0.0000000), wk = 0.0019646 k( 376) = ( 0.0043523 -0.0100612 -0.0000000), wk = 0.0019646 k( 377) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 k( 378) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 k( 379) = ( 0.0076923 -0.0072274 -0.0024948), wk = 0.0019646 k( 380) = ( 0.0153846 -0.0144549 -0.0049896), wk = 0.0019646 k( 381) = ( 0.0230769 -0.0216823 -0.0074845), wk = 0.0019646 k( 382) = ( 0.0307692 -0.0289097 -0.0099793), wk = 0.0019646 k( 383) = ( 0.0384615 -0.0361372 -0.0124741), wk = 0.0019646 k( 384) = ( 0.0461539 -0.0433646 -0.0149689), wk = 0.0019646 k( 385) = ( 0.0538462 -0.0505920 -0.0174637), wk = 0.0019646 k( 386) = ( 0.0615385 -0.0578195 -0.0199586), wk = 0.0019646 k( 387) = ( 0.0692308 -0.0650469 -0.0224534), wk = 0.0019646 k( 388) = ( 0.0769231 -0.0722744 -0.0249482), wk = 0.0019646 k( 389) = ( 0.0846154 -0.0795018 -0.0274430), wk = 0.0019646 k( 390) = ( 0.0923077 -0.0867292 -0.0299379), wk = 0.0019646 k( 391) = ( 0.1000000 -0.0939567 -0.0324327), wk = 0.0019646 k( 392) = ( 0.1076923 -0.1011841 -0.0349275), wk = 0.0019646 k( 393) = ( 0.1153846 -0.1084115 -0.0374223), wk = 0.0019646 k( 394) = ( 0.1230769 -0.1156390 -0.0399171), wk = 0.0019646 k( 395) = ( 0.1307692 -0.1228664 -0.0424120), wk = 0.0019646 k( 396) = ( 0.1384615 -0.1300938 -0.0449068), wk = 0.0019646 k( 397) = ( 0.1461539 -0.1373213 -0.0474016), wk = 0.0019646 k( 398) = ( 0.1538461 -0.1445487 -0.0498964), wk = 0.0019646 k( 399) = ( 0.1615385 -0.1517761 -0.0523912), wk = 0.0019646 k( 400) = ( 0.1692308 -0.1590036 -0.0548861), wk = 0.0019646 k( 401) = ( 0.1769231 -0.1662310 -0.0573809), wk = 0.0019646 k( 402) = ( 0.1846154 -0.1734584 -0.0598757), wk = 0.0019646 k( 403) = ( 0.1923077 -0.1806859 -0.0623705), wk = 0.0019646 k( 404) = ( 0.2000000 -0.1879133 -0.0648654), wk = 0.0019646 k( 405) = ( 0.2076923 -0.1951408 -0.0673602), wk = 0.0019646 k( 406) = ( 0.2153846 -0.2023682 -0.0698550), wk = 0.0019646 k( 407) = ( 0.2230769 -0.2095956 -0.0723498), wk = 0.0019646 k( 408) = ( 0.2307692 -0.2168231 -0.0748446), wk = 0.0019646 k( 409) = ( 0.2384615 -0.2240505 -0.0773395), wk = 0.0019646 k( 410) = ( 0.2461539 -0.2312779 -0.0798343), wk = 0.0019646 k( 411) = ( 0.2538461 -0.2385054 -0.0823291), wk = 0.0019646 k( 412) = ( 0.2615385 -0.2457328 -0.0848239), wk = 0.0019646 k( 413) = ( 0.2692308 -0.2529602 -0.0873187), wk = 0.0019646 k( 414) = ( 0.2769231 -0.2601877 -0.0898136), wk = 0.0019646 k( 415) = ( 0.2846154 -0.2674151 -0.0923084), wk = 0.0019646 k( 416) = ( 0.2923077 -0.2746425 -0.0948032), wk = 0.0019646 k( 417) = ( 0.3000000 -0.2818700 -0.0972980), wk = 0.0019646 k( 418) = ( 0.3076923 -0.2890974 -0.0997929), wk = 0.0019646 k( 419) = ( 0.3153846 -0.2963249 -0.1022877), wk = 0.0019646 k( 420) = ( 0.3230769 -0.3035523 -0.1047825), wk = 0.0019646 k( 421) = ( 0.3307692 -0.3107797 -0.1072773), wk = 0.0019646 k( 422) = ( 0.3384615 -0.3180072 -0.1097721), wk = 0.0019646 k( 423) = ( 0.3461538 -0.3252346 -0.1122670), wk = 0.0019646 k( 424) = ( 0.3538462 -0.3324620 -0.1147618), wk = 0.0019646 k( 425) = ( 0.3615385 -0.3396895 -0.1172566), wk = 0.0019646 k( 426) = ( 0.3692308 -0.3469169 -0.1197514), wk = 0.0019646 k( 427) = ( 0.3769231 -0.3541443 -0.1222462), wk = 0.0019646 k( 428) = ( 0.3846154 -0.3613718 -0.1247411), wk = 0.0019646 k( 429) = ( 0.3923077 -0.3685992 -0.1272359), wk = 0.0019646 k( 430) = ( 0.4000000 -0.3758266 -0.1297307), wk = 0.0019646 k( 431) = ( 0.4076923 -0.3830541 -0.1322255), wk = 0.0019646 k( 432) = ( 0.4153846 -0.3902815 -0.1347204), wk = 0.0019646 k( 433) = ( 0.4230769 -0.3975089 -0.1372152), wk = 0.0019646 k( 434) = ( 0.4307692 -0.4047364 -0.1397100), wk = 0.0019646 k( 435) = ( 0.4384615 -0.4119638 -0.1422048), wk = 0.0019646 k( 436) = ( 0.4461539 -0.4191913 -0.1446996), wk = 0.0019646 k( 437) = ( 0.4538462 -0.4264187 -0.1471945), wk = 0.0019646 k( 438) = ( 0.4615385 -0.4336461 -0.1496893), wk = 0.0019646 k( 439) = ( 0.4692308 -0.4408736 -0.1521841), wk = 0.0019646 k( 440) = ( 0.4769231 -0.4481010 -0.1546789), wk = 0.0019646 k( 441) = ( 0.4846154 -0.4553284 -0.1571737), wk = 0.0019646 k( 442) = ( 0.4923077 -0.4625559 -0.1596686), wk = 0.0019646 k( 443) = ( 0.5000000 -0.4697833 -0.1621634), wk = 0.0019646 k( 444) = ( 0.5000000 -0.4697833 0.1677501), wk = 0.0019646 k( 445) = ( 0.4923077 -0.4625559 0.1651694), wk = 0.0019646 k( 446) = ( 0.4846154 -0.4553284 0.1625886), wk = 0.0019646 k( 447) = ( 0.4769231 -0.4481010 0.1600078), wk = 0.0019646 k( 448) = ( 0.4692308 -0.4408736 0.1574271), wk = 0.0019646 k( 449) = ( 0.4615385 -0.4336461 0.1548463), wk = 0.0019646 k( 450) = ( 0.4538462 -0.4264187 0.1522655), wk = 0.0019646 k( 451) = ( 0.4461539 -0.4191913 0.1496847), wk = 0.0019646 k( 452) = ( 0.4384615 -0.4119638 0.1471040), wk = 0.0019646 k( 453) = ( 0.4307692 -0.4047364 0.1445232), wk = 0.0019646 k( 454) = ( 0.4230769 -0.3975089 0.1419424), wk = 0.0019646 k( 455) = ( 0.4153846 -0.3902815 0.1393617), wk = 0.0019646 k( 456) = ( 0.4076923 -0.3830541 0.1367809), wk = 0.0019646 k( 457) = ( 0.4000000 -0.3758266 0.1342001), wk = 0.0019646 k( 458) = ( 0.3923077 -0.3685992 0.1316193), wk = 0.0019646 k( 459) = ( 0.3846154 -0.3613718 0.1290386), wk = 0.0019646 k( 460) = ( 0.3769231 -0.3541443 0.1264578), wk = 0.0019646 k( 461) = ( 0.3692308 -0.3469169 0.1238770), wk = 0.0019646 k( 462) = ( 0.3615385 -0.3396895 0.1212963), wk = 0.0019646 k( 463) = ( 0.3538462 -0.3324620 0.1187155), wk = 0.0019646 k( 464) = ( 0.3461538 -0.3252346 0.1161347), wk = 0.0019646 k( 465) = ( 0.3384615 -0.3180072 0.1135539), wk = 0.0019646 k( 466) = ( 0.3307692 -0.3107797 0.1109732), wk = 0.0019646 k( 467) = ( 0.3230769 -0.3035523 0.1083924), wk = 0.0019646 k( 468) = ( 0.3153846 -0.2963249 0.1058116), wk = 0.0019646 k( 469) = ( 0.3076923 -0.2890974 0.1032309), wk = 0.0019646 k( 470) = ( 0.3000000 -0.2818700 0.1006501), wk = 0.0019646 k( 471) = ( 0.2923077 -0.2746425 0.0980693), wk = 0.0019646 k( 472) = ( 0.2846154 -0.2674151 0.0954885), wk = 0.0019646 k( 473) = ( 0.2769231 -0.2601877 0.0929078), wk = 0.0019646 k( 474) = ( 0.2692308 -0.2529602 0.0903270), wk = 0.0019646 k( 475) = ( 0.2615385 -0.2457328 0.0877462), wk = 0.0019646 k( 476) = ( 0.2538461 -0.2385054 0.0851655), wk = 0.0019646 k( 477) = ( 0.2461539 -0.2312779 0.0825847), wk = 0.0019646 k( 478) = ( 0.2384615 -0.2240505 0.0800039), wk = 0.0019646 k( 479) = ( 0.2307692 -0.2168231 0.0774231), wk = 0.0019646 k( 480) = ( 0.2230769 -0.2095956 0.0748424), wk = 0.0019646 k( 481) = ( 0.2153846 -0.2023682 0.0722616), wk = 0.0019646 k( 482) = ( 0.2076923 -0.1951408 0.0696808), wk = 0.0019646 k( 483) = ( 0.2000000 -0.1879133 0.0671001), wk = 0.0019646 k( 484) = ( 0.1923077 -0.1806859 0.0645193), wk = 0.0019646 k( 485) = ( 0.1846154 -0.1734584 0.0619385), wk = 0.0019646 k( 486) = ( 0.1769231 -0.1662310 0.0593577), wk = 0.0019646 k( 487) = ( 0.1692308 -0.1590036 0.0567770), wk = 0.0019646 k( 488) = ( 0.1615385 -0.1517761 0.0541962), wk = 0.0019646 k( 489) = ( 0.1538461 -0.1445487 0.0516154), wk = 0.0019646 k( 490) = ( 0.1461539 -0.1373213 0.0490347), wk = 0.0019646 k( 491) = ( 0.1384615 -0.1300938 0.0464539), wk = 0.0019646 k( 492) = ( 0.1307692 -0.1228664 0.0438731), wk = 0.0019646 k( 493) = ( 0.1230769 -0.1156390 0.0412923), wk = 0.0019646 k( 494) = ( 0.1153846 -0.1084115 0.0387116), wk = 0.0019646 k( 495) = ( 0.1076923 -0.1011841 0.0361308), wk = 0.0019646 k( 496) = ( 0.1000000 -0.0939567 0.0335500), wk = 0.0019646 k( 497) = ( 0.0923077 -0.0867292 0.0309693), wk = 0.0019646 k( 498) = ( 0.0846154 -0.0795018 0.0283885), wk = 0.0019646 k( 499) = ( 0.0769231 -0.0722744 0.0258077), wk = 0.0019646 k( 500) = ( 0.0692308 -0.0650469 0.0232269), wk = 0.0019646 k( 501) = ( 0.0615385 -0.0578195 0.0206462), wk = 0.0019646 k( 502) = ( 0.0538462 -0.0505920 0.0180654), wk = 0.0019646 k( 503) = ( 0.0461539 -0.0433646 0.0154846), wk = 0.0019646 k( 504) = ( 0.0384615 -0.0361372 0.0129039), wk = 0.0019646 k( 505) = ( 0.0307692 -0.0289097 0.0103231), wk = 0.0019646 k( 506) = ( 0.0230769 -0.0216823 0.0077423), wk = 0.0019646 k( 507) = ( 0.0153846 -0.0144549 0.0051615), wk = 0.0019646 k( 508) = ( 0.0076923 -0.0072274 0.0025808), wk = 0.0019646 k( 509) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 k( 2) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0019646 k( 3) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0019646 k( 4) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0019646 k( 5) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0019646 k( 6) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0019646 k( 7) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0019646 k( 8) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0019646 k( 9) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0019646 k( 10) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0019646 k( 11) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0019646 k( 12) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0019646 k( 13) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0019646 k( 14) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0019646 k( 15) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0019646 k( 16) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0019646 k( 17) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0019646 k( 18) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0019646 k( 19) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0019646 k( 20) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0019646 k( 21) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0019646 k( 22) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0019646 k( 23) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0019646 k( 24) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0019646 k( 25) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0019646 k( 26) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0019646 k( 27) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0019646 k( 28) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0019646 k( 29) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0019646 k( 30) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0019646 k( 31) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0019646 k( 32) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0019646 k( 33) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0019646 k( 34) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0019646 k( 35) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0019646 k( 36) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0019646 k( 37) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0019646 k( 38) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0019646 k( 39) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0019646 k( 40) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0019646 k( 41) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0019646 k( 42) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0019646 k( 43) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0019646 k( 44) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0019646 k( 45) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0019646 k( 46) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0019646 k( 47) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0019646 k( 48) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0019646 k( 49) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0019646 k( 50) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0019646 k( 51) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0019646 k( 52) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0019646 k( 53) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0019646 k( 54) = ( 0.4568966 0.4568966 -0.0000000), wk = 0.0019646 k( 55) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0019646 k( 56) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0019646 k( 57) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0019646 k( 58) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0019646 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019646 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019646 k( 61) = ( 0.5030526 0.5030526 0.0114680), wk = 0.0019646 k( 62) = ( 0.5030526 0.5030526 0.0114680), wk = 0.0019646 k( 63) = ( 0.5029509 0.5029509 0.0277524), wk = 0.0019646 k( 64) = ( 0.5028491 0.5028491 0.0440368), wk = 0.0019646 k( 65) = ( 0.5027474 0.5027474 0.0603212), wk = 0.0019646 k( 66) = ( 0.5026456 0.5026456 0.0766056), wk = 0.0019646 k( 67) = ( 0.5025439 0.5025439 0.0928900), wk = 0.0019646 k( 68) = ( 0.5024421 0.5024421 0.1091744), wk = 0.0019646 k( 69) = ( 0.5023404 0.5023404 0.1254588), wk = 0.0019646 k( 70) = ( 0.5022386 0.5022386 0.1417432), wk = 0.0019646 k( 71) = ( 0.5021368 0.5021368 0.1580276), wk = 0.0019646 k( 72) = ( 0.5020351 0.5020351 0.1743120), wk = 0.0019646 k( 73) = ( 0.5019333 0.5019333 0.1905964), wk = 0.0019646 k( 74) = ( 0.5018316 0.5018316 0.2068808), wk = 0.0019646 k( 75) = ( 0.5017298 0.5017298 0.2231652), wk = 0.0019646 k( 76) = ( 0.5016281 0.5016281 0.2394496), wk = 0.0019646 k( 77) = ( 0.5015263 0.5015263 0.2557340), wk = 0.0019646 k( 78) = ( 0.5014246 0.5014246 0.2720184), wk = 0.0019646 k( 79) = ( 0.5013228 0.5013228 0.2883028), wk = 0.0019646 k( 80) = ( 0.5012211 0.5012211 0.3045872), wk = 0.0019646 k( 81) = ( 0.5011193 0.5011193 0.3208716), wk = 0.0019646 k( 82) = ( 0.5010176 0.5010176 0.3371560), wk = 0.0019646 k( 83) = ( 0.5009158 0.5009158 0.3534404), wk = 0.0019646 k( 84) = ( 0.5008140 0.5008140 0.3697248), wk = 0.0019646 k( 85) = ( 0.5007123 0.5007123 0.3860092), wk = 0.0019646 k( 86) = ( 0.5006105 0.5006105 0.4022936), wk = 0.0019646 k( 87) = ( 0.5005088 0.5005088 0.4185780), wk = 0.0019646 k( 88) = ( 0.5004070 0.5004070 0.4348624), wk = 0.0019646 k( 89) = ( 0.5003053 0.5003053 0.4511468), wk = 0.0019646 k( 90) = ( 0.5002035 0.5002035 0.4674312), wk = 0.0019646 k( 91) = ( 0.5001018 0.5001018 0.4837156), wk = 0.0019646 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019646 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019646 k( 94) = ( 0.5043210 0.4956790 0.5000000), wk = 0.0019646 k( 95) = ( 0.5086420 0.4913580 0.5000000), wk = 0.0019646 k( 96) = ( 0.5129630 0.4870370 0.5000000), wk = 0.0019646 k( 97) = ( 0.5172840 0.4827160 0.5000000), wk = 0.0019646 k( 98) = ( 0.5216050 0.4783950 0.5000000), wk = 0.0019646 k( 99) = ( 0.5259259 0.4740740 0.5000000), wk = 0.0019646 k( 100) = ( 0.5302469 0.4697531 0.5000000), wk = 0.0019646 k( 101) = ( 0.5345679 0.4654321 0.5000000), wk = 0.0019646 k( 102) = ( 0.5388889 0.4611111 0.5000000), wk = 0.0019646 k( 103) = ( 0.5432099 0.4567901 0.5000000), wk = 0.0019646 k( 104) = ( 0.5475309 0.4524691 0.5000000), wk = 0.0019646 k( 105) = ( 0.5518519 0.4481481 0.5000000), wk = 0.0019646 k( 106) = ( 0.5561729 0.4438271 0.5000000), wk = 0.0019646 k( 107) = ( 0.5604939 0.4395061 0.5000000), wk = 0.0019646 k( 108) = ( 0.5648149 0.4351851 0.5000000), wk = 0.0019646 k( 109) = ( 0.5691359 0.4308641 0.5000000), wk = 0.0019646 k( 110) = ( 0.5734569 0.4265431 0.5000000), wk = 0.0019646 k( 111) = ( 0.5777779 0.4222222 0.5000000), wk = 0.0019646 k( 112) = ( 0.5820988 0.4179012 0.5000000), wk = 0.0019646 k( 113) = ( 0.5864198 0.4135802 0.5000000), wk = 0.0019646 k( 114) = ( 0.5907408 0.4092592 0.5000000), wk = 0.0019646 k( 115) = ( 0.5950618 0.4049382 0.5000000), wk = 0.0019646 k( 116) = ( 0.5993828 0.4006172 0.5000000), wk = 0.0019646 k( 117) = ( 0.6037038 0.3962962 0.5000000), wk = 0.0019646 k( 118) = ( 0.6080248 0.3919752 0.5000000), wk = 0.0019646 k( 119) = ( 0.6123458 0.3876542 0.5000000), wk = 0.0019646 k( 120) = ( 0.6166668 0.3833332 0.5000000), wk = 0.0019646 k( 121) = ( 0.6209878 0.3790122 0.5000000), wk = 0.0019646 k( 122) = ( 0.6253088 0.3746912 0.5000000), wk = 0.0019646 k( 123) = ( 0.6296297 0.3703703 0.5000000), wk = 0.0019646 k( 124) = ( 0.6339507 0.3660493 0.5000000), wk = 0.0019646 k( 125) = ( 0.6382717 0.3617283 0.5000000), wk = 0.0019646 k( 126) = ( 0.6425927 0.3574073 0.5000000), wk = 0.0019646 k( 127) = ( 0.6469137 0.3530863 0.5000000), wk = 0.0019646 k( 128) = ( 0.6512347 0.3487653 0.5000000), wk = 0.0019646 k( 129) = ( 0.6555557 0.3444443 0.5000000), wk = 0.0019646 k( 130) = ( 0.6598767 0.3401233 0.5000000), wk = 0.0019646 k( 131) = ( 0.6641977 0.3358023 0.5000000), wk = 0.0019646 k( 132) = ( 0.6685187 0.3314813 0.5000000), wk = 0.0019646 k( 133) = ( 0.6728397 0.3271603 0.5000000), wk = 0.0019646 k( 134) = ( 0.6771607 0.3228393 0.5000000), wk = 0.0019646 k( 135) = ( 0.6814817 0.3185184 0.5000000), wk = 0.0019646 k( 136) = ( 0.6858026 0.3141974 0.5000000), wk = 0.0019646 k( 137) = ( 0.6901236 0.3098764 0.5000000), wk = 0.0019646 k( 138) = ( 0.6944446 0.3055554 0.5000000), wk = 0.0019646 k( 139) = ( 0.6987656 0.3012344 0.5000000), wk = 0.0019646 k( 140) = ( 0.7030866 0.2969134 0.5000000), wk = 0.0019646 k( 141) = ( 0.7074076 0.2925924 0.5000000), wk = 0.0019646 k( 142) = ( 0.7117286 0.2882714 0.5000000), wk = 0.0019646 k( 143) = ( 0.7160496 0.2839504 0.5000000), wk = 0.0019646 k( 144) = ( 0.7203706 0.2796294 0.5000000), wk = 0.0019646 k( 145) = ( 0.2796294 -0.2796294 0.5000000), wk = 0.0019646 k( 146) = ( 0.2752602 -0.2752602 0.5000000), wk = 0.0019646 k( 147) = ( 0.2708910 -0.2708910 0.5000000), wk = 0.0019646 k( 148) = ( 0.2665218 -0.2665218 0.5000000), wk = 0.0019646 k( 149) = ( 0.2621526 -0.2621526 0.5000000), wk = 0.0019646 k( 150) = ( 0.2577834 -0.2577834 0.5000000), wk = 0.0019646 k( 151) = ( 0.2534142 -0.2534142 0.5000000), wk = 0.0019646 k( 152) = ( 0.2490450 -0.2490450 0.5000000), wk = 0.0019646 k( 153) = ( 0.2446757 -0.2446758 0.5000000), wk = 0.0019646 k( 154) = ( 0.2403065 -0.2403065 0.5000000), wk = 0.0019646 k( 155) = ( 0.2359373 -0.2359373 0.5000000), wk = 0.0019646 k( 156) = ( 0.2315681 -0.2315681 0.5000000), wk = 0.0019646 k( 157) = ( 0.2271989 -0.2271989 0.5000000), wk = 0.0019646 k( 158) = ( 0.2228297 -0.2228297 0.5000000), wk = 0.0019646 k( 159) = ( 0.2184605 -0.2184605 0.5000000), wk = 0.0019646 k( 160) = ( 0.2140913 -0.2140913 0.5000000), wk = 0.0019646 k( 161) = ( 0.2097221 -0.2097221 0.5000000), wk = 0.0019646 k( 162) = ( 0.2053529 -0.2053529 0.5000000), wk = 0.0019646 k( 163) = ( 0.2009837 -0.2009837 0.5000000), wk = 0.0019646 k( 164) = ( 0.1966144 -0.1966144 0.5000000), wk = 0.0019646 k( 165) = ( 0.1922452 -0.1922452 0.5000000), wk = 0.0019646 k( 166) = ( 0.1878760 -0.1878760 0.5000000), wk = 0.0019646 k( 167) = ( 0.1835068 -0.1835068 0.5000000), wk = 0.0019646 k( 168) = ( 0.1791376 -0.1791376 0.5000000), wk = 0.0019646 k( 169) = ( 0.1747684 -0.1747684 0.5000000), wk = 0.0019646 k( 170) = ( 0.1703992 -0.1703992 0.5000000), wk = 0.0019646 k( 171) = ( 0.1660300 -0.1660300 0.5000000), wk = 0.0019646 k( 172) = ( 0.1616608 -0.1616608 0.5000000), wk = 0.0019646 k( 173) = ( 0.1572916 -0.1572916 0.5000000), wk = 0.0019646 k( 174) = ( 0.1529223 -0.1529223 0.5000000), wk = 0.0019646 k( 175) = ( 0.1485531 -0.1485531 0.5000000), wk = 0.0019646 k( 176) = ( 0.1441839 -0.1441839 0.5000000), wk = 0.0019646 k( 177) = ( 0.1398147 -0.1398147 0.5000000), wk = 0.0019646 k( 178) = ( 0.1354455 -0.1354455 0.5000000), wk = 0.0019646 k( 179) = ( 0.1310763 -0.1310763 0.5000000), wk = 0.0019646 k( 180) = ( 0.1267071 -0.1267071 0.5000000), wk = 0.0019646 k( 181) = ( 0.1223379 -0.1223379 0.5000000), wk = 0.0019646 k( 182) = ( 0.1179687 -0.1179687 0.5000000), wk = 0.0019646 k( 183) = ( 0.1135995 -0.1135994 0.5000000), wk = 0.0019646 k( 184) = ( 0.1092302 -0.1092302 0.5000000), wk = 0.0019646 k( 185) = ( 0.1048610 -0.1048610 0.5000000), wk = 0.0019646 k( 186) = ( 0.1004918 -0.1004918 0.5000000), wk = 0.0019646 k( 187) = ( 0.0961226 -0.0961226 0.5000000), wk = 0.0019646 k( 188) = ( 0.0917534 -0.0917534 0.5000000), wk = 0.0019646 k( 189) = ( 0.0873842 -0.0873842 0.5000000), wk = 0.0019646 k( 190) = ( 0.0830150 -0.0830150 0.5000000), wk = 0.0019646 k( 191) = ( 0.0786458 -0.0786458 0.5000000), wk = 0.0019646 k( 192) = ( 0.0742766 -0.0742766 0.5000000), wk = 0.0019646 k( 193) = ( 0.0699074 -0.0699074 0.5000000), wk = 0.0019646 k( 194) = ( 0.0655382 -0.0655382 0.5000000), wk = 0.0019646 k( 195) = ( 0.0611689 -0.0611689 0.5000000), wk = 0.0019646 k( 196) = ( 0.0567997 -0.0567997 0.5000000), wk = 0.0019646 k( 197) = ( 0.0524305 -0.0524305 0.5000000), wk = 0.0019646 k( 198) = ( 0.0480613 -0.0480613 0.5000000), wk = 0.0019646 k( 199) = ( 0.0436921 -0.0436921 0.5000000), wk = 0.0019646 k( 200) = ( 0.0393229 -0.0393229 0.5000000), wk = 0.0019646 k( 201) = ( 0.0349537 -0.0349537 0.5000000), wk = 0.0019646 k( 202) = ( 0.0305845 -0.0305845 0.5000000), wk = 0.0019646 k( 203) = ( 0.0262153 -0.0262153 0.5000000), wk = 0.0019646 k( 204) = ( 0.0218460 -0.0218460 0.5000000), wk = 0.0019646 k( 205) = ( 0.0174768 -0.0174768 0.5000000), wk = 0.0019646 k( 206) = ( 0.0131076 -0.0131076 0.5000000), wk = 0.0019646 k( 207) = ( 0.0087384 -0.0087384 0.5000000), wk = 0.0019646 k( 208) = ( 0.0043692 -0.0043692 0.5000000), wk = 0.0019646 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019646 k( 210) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019646 k( 211) = ( 0.0099390 0.0099390 0.5097706), wk = 0.0019646 k( 212) = ( 0.0198779 0.0198779 0.5195413), wk = 0.0019646 k( 213) = ( 0.0298168 0.0298168 0.5293119), wk = 0.0019646 k( 214) = ( 0.0397558 0.0397558 0.5390826), wk = 0.0019646 k( 215) = ( 0.0496947 0.0496947 0.5488532), wk = 0.0019646 k( 216) = ( 0.0596337 0.0596337 0.5586238), wk = 0.0019646 k( 217) = ( 0.0695726 0.0695726 0.5683945), wk = 0.0019646 k( 218) = ( 0.0795116 0.0795116 0.5781651), wk = 0.0019646 k( 219) = ( 0.0894505 0.0894505 0.5879358), wk = 0.0019646 k( 220) = ( 0.0993895 0.0993895 0.5977064), wk = 0.0019646 k( 221) = ( 0.1093284 0.1093284 0.6074770), wk = 0.0019646 k( 222) = ( 0.1192674 0.1192674 0.6172477), wk = 0.0019646 k( 223) = ( 0.1292063 0.1292063 0.6270183), wk = 0.0019646 k( 224) = ( 0.1391453 0.1391453 0.6367890), wk = 0.0019646 k( 225) = ( 0.1490842 0.1490842 0.6465596), wk = 0.0019646 k( 226) = ( 0.1590232 0.1590232 0.6563303), wk = 0.0019646 k( 227) = ( 0.1689621 0.1689621 0.6661009), wk = 0.0019646 k( 228) = ( 0.1789011 0.1789011 0.6758715), wk = 0.0019646 k( 229) = ( 0.1888400 0.1888400 0.6856422), wk = 0.0019646 k( 230) = ( 0.1987789 0.1987789 0.6954128), wk = 0.0019646 k( 231) = ( 0.2087179 0.2087179 0.7051834), wk = 0.0019646 k( 232) = ( 0.2186568 0.2186568 0.7149541), wk = 0.0019646 k( 233) = ( 0.2285958 0.2285958 0.7247247), wk = 0.0019646 k( 234) = ( 0.2385347 0.2385347 0.7344954), wk = 0.0019646 k( 235) = ( 0.2484737 0.2484737 0.7442660), wk = 0.0019646 k( 236) = ( 0.2584126 0.2584126 0.7540367), wk = 0.0019646 k( 237) = ( 0.2683516 0.2683516 0.7638073), wk = 0.0019646 k( 238) = ( 0.2782905 0.2782905 0.7735779), wk = 0.0019646 k( 239) = ( 0.2882295 0.2882295 0.7833486), wk = 0.0019646 k( 240) = ( 0.2981684 0.2981684 0.7931192), wk = 0.0019646 k( 241) = ( 0.3081074 0.3081074 0.8028899), wk = 0.0019646 k( 242) = ( 0.3180463 0.3180463 0.8126605), wk = 0.0019646 k( 243) = ( 0.3279853 0.3279853 0.8224311), wk = 0.0019646 k( 244) = ( 0.3379242 0.3379242 0.8322018), wk = 0.0019646 k( 245) = ( 0.3478632 0.3478632 0.8419724), wk = 0.0019646 k( 246) = ( 0.3578021 0.3578021 0.8517431), wk = 0.0019646 k( 247) = ( 0.3677410 0.3677410 0.8615137), wk = 0.0019646 k( 248) = ( 0.3776800 0.3776800 0.8712843), wk = 0.0019646 k( 249) = ( 0.3876189 0.3876189 0.8810550), wk = 0.0019646 k( 250) = ( 0.3975579 0.3975579 0.8908256), wk = 0.0019646 k( 251) = ( 0.4074968 0.4074968 0.9005963), wk = 0.0019646 k( 252) = ( 0.4174358 0.4174358 0.9103669), wk = 0.0019646 k( 253) = ( 0.4273747 0.4273747 0.9201375), wk = 0.0019646 k( 254) = ( 0.4373137 0.4373137 0.9299082), wk = 0.0019646 k( 255) = ( 0.4472526 0.4472526 0.9396788), wk = 0.0019646 k( 256) = ( 0.4571916 0.4571916 0.9494495), wk = 0.0019646 k( 257) = ( 0.4671305 0.4671305 0.9592201), wk = 0.0019646 k( 258) = ( 0.4770695 0.4770695 0.9689907), wk = 0.0019646 k( 259) = ( 0.4870084 0.4870084 0.9787614), wk = 0.0019646 k( 260) = ( 0.4969474 0.4969474 0.9885320), wk = 0.0019646 k( 261) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019646 k( 262) = ( 0.5043404 0.4956596 -0.0000000), wk = 0.0019646 k( 263) = ( 0.5086808 0.4913192 -0.0000000), wk = 0.0019646 k( 264) = ( 0.5130213 0.4869787 -0.0000000), wk = 0.0019646 k( 265) = ( 0.5173617 0.4826383 -0.0000000), wk = 0.0019646 k( 266) = ( 0.5217021 0.4782979 -0.0000000), wk = 0.0019646 k( 267) = ( 0.5260425 0.4739575 0.0000000), wk = 0.0019646 k( 268) = ( 0.5303829 0.4696171 0.0000000), wk = 0.0019646 k( 269) = ( 0.5347234 0.4652766 -0.0000000), wk = 0.0019646 k( 270) = ( 0.5390638 0.4609362 -0.0000000), wk = 0.0019646 k( 271) = ( 0.5434042 0.4565958 -0.0000000), wk = 0.0019646 k( 272) = ( 0.5477446 0.4522554 -0.0000000), wk = 0.0019646 k( 273) = ( 0.5520850 0.4479150 -0.0000000), wk = 0.0019646 k( 274) = ( 0.5564255 0.4435745 -0.0000000), wk = 0.0019646 k( 275) = ( 0.5607659 0.4392341 -0.0000000), wk = 0.0019646 k( 276) = ( 0.5651063 0.4348937 -0.0000000), wk = 0.0019646 k( 277) = ( 0.5694467 0.4305533 -0.0000000), wk = 0.0019646 k( 278) = ( 0.5737871 0.4262129 -0.0000000), wk = 0.0019646 k( 279) = ( 0.5781276 0.4218724 -0.0000000), wk = 0.0019646 k( 280) = ( 0.5824680 0.4175320 -0.0000000), wk = 0.0019646 k( 281) = ( 0.5868084 0.4131916 -0.0000000), wk = 0.0019646 k( 282) = ( 0.5911488 0.4088512 -0.0000000), wk = 0.0019646 k( 283) = ( 0.5954892 0.4045108 0.0000000), wk = 0.0019646 k( 284) = ( 0.5998297 0.4001703 0.0000000), wk = 0.0019646 k( 285) = ( 0.6041701 0.3958299 -0.0000000), wk = 0.0019646 k( 286) = ( 0.6085105 0.3914895 -0.0000000), wk = 0.0019646 k( 287) = ( 0.6128509 0.3871491 -0.0000000), wk = 0.0019646 k( 288) = ( 0.6171913 0.3828087 -0.0000000), wk = 0.0019646 k( 289) = ( 0.6215318 0.3784682 -0.0000000), wk = 0.0019646 k( 290) = ( 0.6258722 0.3741278 -0.0000000), wk = 0.0019646 k( 291) = ( 0.6302126 0.3697874 -0.0000000), wk = 0.0019646 k( 292) = ( 0.6345530 0.3654470 -0.0000000), wk = 0.0019646 k( 293) = ( 0.6388934 0.3611066 -0.0000000), wk = 0.0019646 k( 294) = ( 0.6432339 0.3567661 -0.0000000), wk = 0.0019646 k( 295) = ( 0.6475743 0.3524257 -0.0000000), wk = 0.0019646 k( 296) = ( 0.6519147 0.3480853 -0.0000000), wk = 0.0019646 k( 297) = ( 0.6562551 0.3437449 -0.0000000), wk = 0.0019646 k( 298) = ( 0.6605956 0.3394045 -0.0000000), wk = 0.0019646 k( 299) = ( 0.6649360 0.3350640 -0.0000000), wk = 0.0019646 k( 300) = ( 0.6692764 0.3307236 -0.0000000), wk = 0.0019646 k( 301) = ( 0.6736168 0.3263832 -0.0000000), wk = 0.0019646 k( 302) = ( 0.6779572 0.3220428 -0.0000000), wk = 0.0019646 k( 303) = ( 0.6822976 0.3177024 -0.0000000), wk = 0.0019646 k( 304) = ( 0.6866381 0.3133619 -0.0000000), wk = 0.0019646 k( 305) = ( 0.3133619 -0.3133619 -0.0000000), wk = 0.0019646 k( 306) = ( 0.3090097 -0.3090097 -0.0000000), wk = 0.0019646 k( 307) = ( 0.3046574 -0.3046574 0.0000000), wk = 0.0019646 k( 308) = ( 0.3003052 -0.3003052 -0.0000000), wk = 0.0019646 k( 309) = ( 0.2959529 -0.2959529 -0.0000000), wk = 0.0019646 k( 310) = ( 0.2916007 -0.2916007 0.0000000), wk = 0.0019646 k( 311) = ( 0.2872484 -0.2872484 -0.0000000), wk = 0.0019646 k( 312) = ( 0.2828962 -0.2828962 0.0000000), wk = 0.0019646 k( 313) = ( 0.2785439 -0.2785439 0.0000000), wk = 0.0019646 k( 314) = ( 0.2741917 -0.2741917 -0.0000000), wk = 0.0019646 k( 315) = ( 0.2698394 -0.2698394 -0.0000000), wk = 0.0019646 k( 316) = ( 0.2654872 -0.2654872 -0.0000000), wk = 0.0019646 k( 317) = ( 0.2611349 -0.2611349 -0.0000000), wk = 0.0019646 k( 318) = ( 0.2567827 -0.2567827 0.0000000), wk = 0.0019646 k( 319) = ( 0.2524304 -0.2524304 -0.0000000), wk = 0.0019646 k( 320) = ( 0.2480782 -0.2480782 -0.0000000), wk = 0.0019646 k( 321) = ( 0.2437259 -0.2437259 -0.0000000), wk = 0.0019646 k( 322) = ( 0.2393737 -0.2393737 -0.0000000), wk = 0.0019646 k( 323) = ( 0.2350214 -0.2350214 -0.0000000), wk = 0.0019646 k( 324) = ( 0.2306692 -0.2306692 0.0000000), wk = 0.0019646 k( 325) = ( 0.2263169 -0.2263169 0.0000000), wk = 0.0019646 k( 326) = ( 0.2219647 -0.2219647 -0.0000000), wk = 0.0019646 k( 327) = ( 0.2176125 -0.2176125 -0.0000000), wk = 0.0019646 k( 328) = ( 0.2132602 -0.2132602 -0.0000000), wk = 0.0019646 k( 329) = ( 0.2089080 -0.2089080 -0.0000000), wk = 0.0019646 k( 330) = ( 0.2045557 -0.2045557 -0.0000000), wk = 0.0019646 k( 331) = ( 0.2002035 -0.2002035 0.0000000), wk = 0.0019646 k( 332) = ( 0.1958512 -0.1958512 -0.0000000), wk = 0.0019646 k( 333) = ( 0.1914990 -0.1914990 -0.0000000), wk = 0.0019646 k( 334) = ( 0.1871467 -0.1871467 -0.0000000), wk = 0.0019646 k( 335) = ( 0.1827945 -0.1827945 -0.0000000), wk = 0.0019646 k( 336) = ( 0.1784422 -0.1784422 0.0000000), wk = 0.0019646 k( 337) = ( 0.1740900 -0.1740900 -0.0000000), wk = 0.0019646 k( 338) = ( 0.1697377 -0.1697377 -0.0000000), wk = 0.0019646 k( 339) = ( 0.1653855 -0.1653855 0.0000000), wk = 0.0019646 k( 340) = ( 0.1610332 -0.1610332 -0.0000000), wk = 0.0019646 k( 341) = ( 0.1566810 -0.1566810 0.0000000), wk = 0.0019646 k( 342) = ( 0.1523287 -0.1523287 -0.0000000), wk = 0.0019646 k( 343) = ( 0.1479765 -0.1479765 -0.0000000), wk = 0.0019646 k( 344) = ( 0.1436242 -0.1436242 -0.0000000), wk = 0.0019646 k( 345) = ( 0.1392720 -0.1392720 0.0000000), wk = 0.0019646 k( 346) = ( 0.1349197 -0.1349197 -0.0000000), wk = 0.0019646 k( 347) = ( 0.1305675 -0.1305675 -0.0000000), wk = 0.0019646 k( 348) = ( 0.1262152 -0.1262152 0.0000000), wk = 0.0019646 k( 349) = ( 0.1218630 -0.1218630 -0.0000000), wk = 0.0019646 k( 350) = ( 0.1175107 -0.1175107 0.0000000), wk = 0.0019646 k( 351) = ( 0.1131585 -0.1131585 0.0000000), wk = 0.0019646 k( 352) = ( 0.1088062 -0.1088062 -0.0000000), wk = 0.0019646 k( 353) = ( 0.1044540 -0.1044540 -0.0000000), wk = 0.0019646 k( 354) = ( 0.1001017 -0.1001017 0.0000000), wk = 0.0019646 k( 355) = ( 0.0957495 -0.0957495 -0.0000000), wk = 0.0019646 k( 356) = ( 0.0913972 -0.0913972 -0.0000000), wk = 0.0019646 k( 357) = ( 0.0870450 -0.0870450 -0.0000000), wk = 0.0019646 k( 358) = ( 0.0826927 -0.0826927 0.0000000), wk = 0.0019646 k( 359) = ( 0.0783405 -0.0783405 0.0000000), wk = 0.0019646 k( 360) = ( 0.0739882 -0.0739882 -0.0000000), wk = 0.0019646 k( 361) = ( 0.0696360 -0.0696360 -0.0000000), wk = 0.0019646 k( 362) = ( 0.0652837 -0.0652837 0.0000000), wk = 0.0019646 k( 363) = ( 0.0609315 -0.0609315 0.0000000), wk = 0.0019646 k( 364) = ( 0.0565792 -0.0565792 0.0000000), wk = 0.0019646 k( 365) = ( 0.0522270 -0.0522270 -0.0000000), wk = 0.0019646 k( 366) = ( 0.0478747 -0.0478747 -0.0000000), wk = 0.0019646 k( 367) = ( 0.0435225 -0.0435225 -0.0000000), wk = 0.0019646 k( 368) = ( 0.0391702 -0.0391702 0.0000000), wk = 0.0019646 k( 369) = ( 0.0348180 -0.0348180 -0.0000000), wk = 0.0019646 k( 370) = ( 0.0304657 -0.0304657 -0.0000000), wk = 0.0019646 k( 371) = ( 0.0261135 -0.0261135 -0.0000000), wk = 0.0019646 k( 372) = ( 0.0217612 -0.0217612 -0.0000000), wk = 0.0019646 k( 373) = ( 0.0174090 -0.0174090 0.0000000), wk = 0.0019646 k( 374) = ( 0.0130568 -0.0130568 -0.0000000), wk = 0.0019646 k( 375) = ( 0.0087045 -0.0087045 0.0000000), wk = 0.0019646 k( 376) = ( 0.0043523 -0.0043522 0.0000000), wk = 0.0019646 k( 377) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 k( 378) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 k( 379) = ( 0.0076923 -0.0000000 -0.0000000), wk = 0.0019646 k( 380) = ( 0.0153846 -0.0000000 -0.0000000), wk = 0.0019646 k( 381) = ( 0.0230769 0.0000000 0.0000000), wk = 0.0019646 k( 382) = ( 0.0307692 -0.0000000 -0.0000000), wk = 0.0019646 k( 383) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0019646 k( 384) = ( 0.0461539 0.0000000 -0.0000000), wk = 0.0019646 k( 385) = ( 0.0538462 -0.0000000 -0.0000000), wk = 0.0019646 k( 386) = ( 0.0615385 -0.0000000 -0.0000000), wk = 0.0019646 k( 387) = ( 0.0692308 -0.0000000 -0.0000000), wk = 0.0019646 k( 388) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0019646 k( 389) = ( 0.0846154 0.0000000 -0.0000000), wk = 0.0019646 k( 390) = ( 0.0923077 0.0000000 -0.0000000), wk = 0.0019646 k( 391) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0019646 k( 392) = ( 0.1076923 -0.0000000 -0.0000000), wk = 0.0019646 k( 393) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0019646 k( 394) = ( 0.1230769 -0.0000000 -0.0000000), wk = 0.0019646 k( 395) = ( 0.1307692 0.0000000 -0.0000000), wk = 0.0019646 k( 396) = ( 0.1384615 -0.0000000 -0.0000000), wk = 0.0019646 k( 397) = ( 0.1461539 0.0000000 -0.0000000), wk = 0.0019646 k( 398) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0019646 k( 399) = ( 0.1615385 0.0000000 -0.0000000), wk = 0.0019646 k( 400) = ( 0.1692308 0.0000000 -0.0000000), wk = 0.0019646 k( 401) = ( 0.1769231 0.0000000 -0.0000000), wk = 0.0019646 k( 402) = ( 0.1846154 0.0000000 -0.0000000), wk = 0.0019646 k( 403) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0019646 k( 404) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0019646 k( 405) = ( 0.2076923 0.0000000 -0.0000000), wk = 0.0019646 k( 406) = ( 0.2153846 -0.0000000 -0.0000000), wk = 0.0019646 k( 407) = ( 0.2230769 0.0000000 -0.0000000), wk = 0.0019646 k( 408) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0019646 k( 409) = ( 0.2384615 0.0000000 -0.0000000), wk = 0.0019646 k( 410) = ( 0.2461539 -0.0000000 -0.0000000), wk = 0.0019646 k( 411) = ( 0.2538461 0.0000000 -0.0000000), wk = 0.0019646 k( 412) = ( 0.2615385 0.0000000 -0.0000000), wk = 0.0019646 k( 413) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0019646 k( 414) = ( 0.2769231 -0.0000000 -0.0000000), wk = 0.0019646 k( 415) = ( 0.2846154 -0.0000000 -0.0000000), wk = 0.0019646 k( 416) = ( 0.2923077 0.0000000 -0.0000000), wk = 0.0019646 k( 417) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0019646 k( 418) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0019646 k( 419) = ( 0.3153846 0.0000000 -0.0000000), wk = 0.0019646 k( 420) = ( 0.3230769 0.0000000 -0.0000000), wk = 0.0019646 k( 421) = ( 0.3307692 0.0000000 -0.0000000), wk = 0.0019646 k( 422) = ( 0.3384615 0.0000000 -0.0000000), wk = 0.0019646 k( 423) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0019646 k( 424) = ( 0.3538462 -0.0000000 -0.0000000), wk = 0.0019646 k( 425) = ( 0.3615385 0.0000000 0.0000000), wk = 0.0019646 k( 426) = ( 0.3692308 0.0000000 -0.0000000), wk = 0.0019646 k( 427) = ( 0.3769231 0.0000000 -0.0000000), wk = 0.0019646 k( 428) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0019646 k( 429) = ( 0.3923077 0.0000000 -0.0000000), wk = 0.0019646 k( 430) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0019646 k( 431) = ( 0.4076923 -0.0000000 -0.0000000), wk = 0.0019646 k( 432) = ( 0.4153846 0.0000000 -0.0000000), wk = 0.0019646 k( 433) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0019646 k( 434) = ( 0.4307692 0.0000000 0.0000000), wk = 0.0019646 k( 435) = ( 0.4384615 -0.0000000 0.0000000), wk = 0.0019646 k( 436) = ( 0.4461539 0.0000000 -0.0000000), wk = 0.0019646 k( 437) = ( 0.4538462 0.0000000 0.0000000), wk = 0.0019646 k( 438) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0019646 k( 439) = ( 0.4692308 0.0000000 -0.0000000), wk = 0.0019646 k( 440) = ( 0.4769231 0.0000000 -0.0000000), wk = 0.0019646 k( 441) = ( 0.4846154 0.0000000 0.0000000), wk = 0.0019646 k( 442) = ( 0.4923077 0.0000000 -0.0000000), wk = 0.0019646 k( 443) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019646 k( 444) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019646 k( 445) = ( 0.4923077 0.0000000 0.4923077), wk = 0.0019646 k( 446) = ( 0.4846154 0.0000000 0.4846154), wk = 0.0019646 k( 447) = ( 0.4769231 0.0000000 0.4769231), wk = 0.0019646 k( 448) = ( 0.4692308 0.0000000 0.4692308), wk = 0.0019646 k( 449) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0019646 k( 450) = ( 0.4538462 0.0000000 0.4538461), wk = 0.0019646 k( 451) = ( 0.4461539 0.0000000 0.4461538), wk = 0.0019646 k( 452) = ( 0.4384615 -0.0000000 0.4384615), wk = 0.0019646 k( 453) = ( 0.4307692 0.0000000 0.4307692), wk = 0.0019646 k( 454) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0019646 k( 455) = ( 0.4153846 0.0000000 0.4153846), wk = 0.0019646 k( 456) = ( 0.4076923 -0.0000000 0.4076923), wk = 0.0019646 k( 457) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0019646 k( 458) = ( 0.3923077 0.0000000 0.3923077), wk = 0.0019646 k( 459) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0019646 k( 460) = ( 0.3769231 0.0000000 0.3769231), wk = 0.0019646 k( 461) = ( 0.3692308 0.0000000 0.3692308), wk = 0.0019646 k( 462) = ( 0.3615385 0.0000000 0.3615385), wk = 0.0019646 k( 463) = ( 0.3538462 -0.0000000 0.3538461), wk = 0.0019646 k( 464) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0019646 k( 465) = ( 0.3384615 0.0000000 0.3384615), wk = 0.0019646 k( 466) = ( 0.3307692 0.0000000 0.3307692), wk = 0.0019646 k( 467) = ( 0.3230769 0.0000000 0.3230769), wk = 0.0019646 k( 468) = ( 0.3153846 0.0000000 0.3153846), wk = 0.0019646 k( 469) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0019646 k( 470) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0019646 k( 471) = ( 0.2923077 0.0000000 0.2923077), wk = 0.0019646 k( 472) = ( 0.2846154 -0.0000000 0.2846154), wk = 0.0019646 k( 473) = ( 0.2769231 -0.0000000 0.2769231), wk = 0.0019646 k( 474) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0019646 k( 475) = ( 0.2615385 0.0000000 0.2615385), wk = 0.0019646 k( 476) = ( 0.2538461 0.0000000 0.2538461), wk = 0.0019646 k( 477) = ( 0.2461539 -0.0000000 0.2461538), wk = 0.0019646 k( 478) = ( 0.2384615 0.0000000 0.2384615), wk = 0.0019646 k( 479) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0019646 k( 480) = ( 0.2230769 0.0000000 0.2230769), wk = 0.0019646 k( 481) = ( 0.2153846 -0.0000000 0.2153846), wk = 0.0019646 k( 482) = ( 0.2076923 0.0000000 0.2076923), wk = 0.0019646 k( 483) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0019646 k( 484) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0019646 k( 485) = ( 0.1846154 0.0000000 0.1846154), wk = 0.0019646 k( 486) = ( 0.1769231 0.0000000 0.1769231), wk = 0.0019646 k( 487) = ( 0.1692308 0.0000000 0.1692308), wk = 0.0019646 k( 488) = ( 0.1615385 0.0000000 0.1615385), wk = 0.0019646 k( 489) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0019646 k( 490) = ( 0.1461539 0.0000000 0.1461538), wk = 0.0019646 k( 491) = ( 0.1384615 -0.0000000 0.1384615), wk = 0.0019646 k( 492) = ( 0.1307692 0.0000000 0.1307692), wk = 0.0019646 k( 493) = ( 0.1230769 -0.0000000 0.1230769), wk = 0.0019646 k( 494) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0019646 k( 495) = ( 0.1076923 -0.0000000 0.1076923), wk = 0.0019646 k( 496) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0019646 k( 497) = ( 0.0923077 0.0000000 0.0923077), wk = 0.0019646 k( 498) = ( 0.0846154 0.0000000 0.0846154), wk = 0.0019646 k( 499) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0019646 k( 500) = ( 0.0692308 -0.0000000 0.0692308), wk = 0.0019646 k( 501) = ( 0.0615385 -0.0000000 0.0615385), wk = 0.0019646 k( 502) = ( 0.0538462 -0.0000000 0.0538461), wk = 0.0019646 k( 503) = ( 0.0461539 0.0000000 0.0461538), wk = 0.0019646 k( 504) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0019646 k( 505) = ( 0.0307692 -0.0000000 0.0307692), wk = 0.0019646 k( 506) = ( 0.0230769 0.0000000 0.0230769), wk = 0.0019646 k( 507) = ( 0.0153846 -0.0000000 0.0153846), wk = 0.0019646 k( 508) = ( 0.0076923 -0.0000000 0.0076923), wk = 0.0019646 k( 509) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019646 Dense grid: 30407 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 22865 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 170, 40) NL pseudopotentials 0.10 Mb ( 85, 76) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 845) G-vector shells 0.01 Mb ( 746) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 170, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 76, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NaCuO2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 5.9 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.5 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.1 secs Computing kpt #: 23 total cpu time spent up to now is 7.4 secs Computing kpt #: 24 total cpu time spent up to now is 7.6 secs Computing kpt #: 25 total cpu time spent up to now is 7.9 secs Computing kpt #: 26 total cpu time spent up to now is 8.2 secs Computing kpt #: 27 total cpu time spent up to now is 8.5 secs Computing kpt #: 28 total cpu time spent up to now is 8.8 secs Computing kpt #: 29 total cpu time spent up to now is 9.1 secs Computing kpt #: 30 total cpu time spent up to now is 9.4 secs Computing kpt #: 31 total cpu time spent up to now is 9.7 secs Computing kpt #: 32 total cpu time spent up to now is 10.0 secs Computing kpt #: 33 total cpu time spent up to now is 10.3 secs Computing kpt #: 34 total cpu time spent up to now is 10.6 secs Computing kpt #: 35 total cpu time spent up to now is 10.9 secs Computing kpt #: 36 total cpu time spent up to now is 11.3 secs Computing kpt #: 37 total cpu time spent up to now is 11.7 secs Computing kpt #: 38 total cpu time spent up to now is 11.9 secs Computing kpt #: 39 total cpu time spent up to now is 12.1 secs Computing kpt #: 40 total cpu time spent up to now is 12.4 secs Computing kpt #: 41 total cpu time spent up to now is 12.6 secs Computing kpt #: 42 total cpu time spent up to now is 12.8 secs Computing kpt #: 43 total cpu time spent up to now is 13.0 secs Computing kpt #: 44 total cpu time spent up to now is 13.2 secs Computing kpt #: 45 total cpu time spent up to now is 13.5 secs Computing kpt #: 46 total cpu time spent up to now is 13.7 secs Computing kpt #: 47 total cpu time spent up to now is 13.9 secs Computing kpt #: 48 total cpu time spent up to now is 14.1 secs Computing kpt #: 49 total cpu time spent up to now is 14.3 secs Computing kpt #: 50 total cpu time spent up to now is 14.5 secs Computing kpt #: 51 total cpu time spent up to now is 14.7 secs Computing kpt #: 52 total cpu time spent up to now is 15.0 secs Computing kpt #: 53 total cpu time spent up to now is 15.2 secs Computing kpt #: 54 total cpu time spent up to now is 15.4 secs Computing kpt #: 55 total cpu time spent up to now is 15.6 secs Computing kpt #: 56 total cpu time spent up to now is 15.8 secs Computing kpt #: 57 total cpu time spent up to now is 16.1 secs Computing kpt #: 58 total cpu time spent up to now is 16.3 secs Computing kpt #: 59 total cpu time spent up to now is 16.5 secs Computing kpt #: 60 total cpu time spent up to now is 16.7 secs Computing kpt #: 61 total cpu time spent up to now is 17.0 secs Computing kpt #: 62 total cpu time spent up to now is 17.2 secs Computing kpt #: 63 total cpu time spent up to now is 17.4 secs Computing kpt #: 64 total cpu time spent up to now is 17.6 secs Computing kpt #: 65 total cpu time spent up to now is 17.9 secs Computing kpt #: 66 total cpu time spent up to now is 18.1 secs Computing kpt #: 67 total cpu time spent up to now is 18.3 secs Computing kpt #: 68 total cpu time spent up to now is 18.5 secs Computing kpt #: 69 total cpu time spent up to now is 18.8 secs Computing kpt #: 70 total cpu time spent up to now is 19.0 secs Computing kpt #: 71 total cpu time spent up to now is 19.2 secs Computing kpt #: 72 total cpu time spent up to now is 19.4 secs Computing kpt #: 73 total cpu time spent up to now is 19.6 secs Computing kpt #: 74 total cpu time spent up to now is 19.8 secs Computing kpt #: 75 total cpu time spent up to now is 20.0 secs Computing kpt #: 76 total cpu time spent up to now is 20.3 secs Computing kpt #: 77 total cpu time spent up to now is 20.5 secs Computing kpt #: 78 total cpu time spent up to now is 20.7 secs Computing kpt #: 79 total cpu time spent up to now is 20.9 secs Computing kpt #: 80 total cpu time spent up to now is 21.1 secs Computing kpt #: 81 total cpu time spent up to now is 21.3 secs Computing kpt #: 82 total cpu time spent up to now is 21.5 secs Computing kpt #: 83 total cpu time spent up to now is 21.7 secs Computing kpt #: 84 total cpu time spent up to now is 21.9 secs Computing kpt #: 85 total cpu time spent up to now is 22.1 secs Computing kpt #: 86 total cpu time spent up to now is 22.3 secs Computing kpt #: 87 total cpu time spent up to now is 22.5 secs Computing kpt #: 88 total cpu time spent up to now is 22.7 secs Computing kpt #: 89 total cpu time spent up to now is 22.9 secs Computing kpt #: 90 total cpu time spent up to now is 23.1 secs Computing kpt #: 91 total cpu time spent up to now is 23.2 secs Computing kpt #: 92 total cpu time spent up to now is 23.4 secs Computing kpt #: 93 total cpu time spent up to now is 23.6 secs Computing kpt #: 94 total cpu time spent up to now is 23.8 secs Computing kpt #: 95 total cpu time spent up to now is 23.9 secs Computing kpt #: 96 total cpu time spent up to now is 24.1 secs Computing kpt #: 97 total cpu time spent up to now is 24.3 secs Computing kpt #: 98 total cpu time spent up to now is 24.5 secs Computing kpt #: 99 total cpu time spent up to now is 24.7 secs Computing kpt #: 100 total cpu time spent up to now is 24.9 secs Computing kpt #: 101 total cpu time spent up to now is 25.0 secs Computing kpt #: 102 total cpu time spent up to now is 25.2 secs Computing kpt #: 103 total cpu time spent up to now is 25.4 secs Computing kpt #: 104 total cpu time spent up to now is 25.6 secs Computing kpt #: 105 total cpu time spent up to now is 25.8 secs Computing kpt #: 106 total cpu time spent up to now is 26.0 secs Computing kpt #: 107 total cpu time spent up to now is 26.2 secs Computing kpt #: 108 total cpu time spent up to now is 26.4 secs Computing kpt #: 109 total cpu time spent up to now is 26.6 secs Computing kpt #: 110 total cpu time spent up to now is 26.8 secs Computing kpt #: 111 total cpu time spent up to now is 27.0 secs Computing kpt #: 112 total cpu time spent up to now is 27.2 secs Computing kpt #: 113 total cpu time spent up to now is 27.4 secs Computing kpt #: 114 total cpu time spent up to now is 27.6 secs Computing kpt #: 115 total cpu time spent up to now is 27.8 secs Computing kpt #: 116 total cpu time spent up to now is 28.0 secs Computing kpt #: 117 total cpu time spent up to now is 28.2 secs Computing kpt #: 118 total cpu time spent up to now is 28.4 secs Computing kpt #: 119 total cpu time spent up to now is 28.6 secs Computing kpt #: 120 total cpu time spent up to now is 28.9 secs Computing kpt #: 121 total cpu time spent up to now is 29.1 secs Computing kpt #: 122 total cpu time spent up to now is 29.3 secs Computing kpt #: 123 total cpu time spent up to now is 29.5 secs Computing kpt #: 124 total cpu time spent up to now is 29.7 secs Computing kpt #: 125 total cpu time spent up to now is 29.9 secs Computing kpt #: 126 total cpu time spent up to now is 30.2 secs Computing kpt #: 127 total cpu time spent up to now is 30.4 secs Computing kpt #: 128 total cpu time spent up to now is 30.7 secs Computing kpt #: 129 total cpu time spent up to now is 30.9 secs Computing kpt #: 130 total cpu time spent up to now is 31.2 secs Computing kpt #: 131 total cpu time spent up to now is 31.4 secs Computing kpt #: 132 total cpu time spent up to now is 31.7 secs Computing kpt #: 133 total cpu time spent up to now is 31.9 secs Computing kpt #: 134 total cpu time spent up to now is 32.1 secs Computing kpt #: 135 total cpu time spent up to now is 32.4 secs Computing kpt #: 136 total cpu time spent up to now is 32.6 secs Computing kpt #: 137 total cpu time spent up to now is 32.8 secs Computing kpt #: 138 total cpu time spent up to now is 33.0 secs Computing kpt #: 139 total cpu time spent up to now is 33.3 secs Computing kpt #: 140 total cpu time spent up to now is 33.5 secs Computing kpt #: 141 total cpu time spent up to now is 33.7 secs Computing kpt #: 142 total cpu time spent up to now is 34.0 secs Computing kpt #: 143 total cpu time spent up to now is 34.2 secs Computing kpt #: 144 total cpu time spent up to now is 34.5 secs Computing kpt #: 145 total cpu time spent up to now is 34.7 secs Computing kpt #: 146 total cpu time spent up to now is 34.9 secs Computing kpt #: 147 total cpu time spent up to now is 35.2 secs Computing kpt #: 148 total cpu time spent up to now is 35.4 secs Computing kpt #: 149 total cpu time spent up to now is 35.7 secs Computing kpt #: 150 total cpu time spent up to now is 35.9 secs Computing kpt #: 151 total cpu time spent up to now is 36.1 secs Computing kpt #: 152 total cpu time spent up to now is 36.4 secs Computing kpt #: 153 total cpu time spent up to now is 36.6 secs Computing kpt #: 154 total cpu time spent up to now is 36.8 secs Computing kpt #: 155 total cpu time spent up to now is 37.1 secs Computing kpt #: 156 total cpu time spent up to now is 37.3 secs Computing kpt #: 157 total cpu time spent up to now is 37.5 secs Computing kpt #: 158 total cpu time spent up to now is 37.7 secs Computing kpt #: 159 total cpu time spent up to now is 37.9 secs Computing kpt #: 160 total cpu time spent up to now is 38.1 secs Computing kpt #: 161 total cpu time spent up to now is 38.3 secs Computing kpt #: 162 total cpu time spent up to now is 38.5 secs Computing kpt #: 163 total cpu time spent up to now is 38.7 secs Computing kpt #: 164 total cpu time spent up to now is 38.9 secs Computing kpt #: 165 total cpu time spent up to now is 39.1 secs Computing kpt #: 166 total cpu time spent up to now is 39.3 secs Computing kpt #: 167 total cpu time spent up to now is 39.5 secs Computing kpt #: 168 total cpu time spent up to now is 39.7 secs Computing kpt #: 169 total cpu time spent up to now is 39.9 secs Computing kpt #: 170 total cpu time spent up to now is 40.1 secs Computing kpt #: 171 total cpu time spent up to now is 40.4 secs Computing kpt #: 172 total cpu time spent up to now is 40.6 secs Computing kpt #: 173 total cpu time spent up to now is 40.8 secs Computing kpt #: 174 total cpu time spent up to now is 41.0 secs Computing kpt #: 175 total cpu time spent up to now is 41.2 secs Computing kpt #: 176 total cpu time spent up to now is 41.4 secs Computing kpt #: 177 total cpu time spent up to now is 41.6 secs Computing kpt #: 178 total cpu time spent up to now is 41.8 secs Computing kpt #: 179 total cpu time spent up to now is 42.0 secs Computing kpt #: 180 total cpu time spent up to now is 42.3 secs Computing kpt #: 181 total cpu time spent up to now is 42.5 secs Computing kpt #: 182 total cpu time spent up to now is 42.7 secs Computing kpt #: 183 total cpu time spent up to now is 42.9 secs Computing kpt #: 184 total cpu time spent up to now is 43.2 secs Computing kpt #: 185 total cpu time spent up to now is 43.4 secs Computing kpt #: 186 total cpu time spent up to now is 43.7 secs Computing kpt #: 187 total cpu time spent up to now is 43.9 secs Computing kpt #: 188 total cpu time spent up to now is 44.2 secs Computing kpt #: 189 total cpu time spent up to now is 44.4 secs Computing kpt #: 190 total cpu time spent up to now is 44.7 secs Computing kpt #: 191 total cpu time spent up to now is 44.9 secs Computing kpt #: 192 total cpu time spent up to now is 45.1 secs Computing kpt #: 193 total cpu time spent up to now is 45.3 secs Computing kpt #: 194 total cpu time spent up to now is 45.5 secs Computing kpt #: 195 total cpu time spent up to now is 45.7 secs Computing kpt #: 196 total cpu time spent up to now is 45.9 secs Computing kpt #: 197 total cpu time spent up to now is 46.1 secs Computing kpt #: 198 total cpu time spent up to now is 46.3 secs Computing kpt #: 199 total cpu time spent up to now is 46.5 secs Computing kpt #: 200 total cpu time spent up to now is 46.7 secs Computing kpt #: 201 total cpu time spent up to now is 46.9 secs Computing kpt #: 202 total cpu time spent up to now is 47.1 secs Computing kpt #: 203 total cpu time spent up to now is 47.3 secs Computing kpt #: 204 total cpu time spent up to now is 47.5 secs Computing kpt #: 205 total cpu time spent up to now is 47.7 secs Computing kpt #: 206 total cpu time spent up to now is 47.8 secs Computing kpt #: 207 total cpu time spent up to now is 48.0 secs Computing kpt #: 208 total cpu time spent up to now is 48.2 secs Computing kpt #: 209 total cpu time spent up to now is 48.4 secs Computing kpt #: 210 total cpu time spent up to now is 48.6 secs Computing kpt #: 211 total cpu time spent up to now is 48.8 secs Computing kpt #: 212 total cpu time spent up to now is 49.0 secs Computing kpt #: 213 total cpu time spent up to now is 49.2 secs Computing kpt #: 214 total cpu time spent up to now is 49.4 secs Computing kpt #: 215 total cpu time spent up to now is 49.6 secs Computing kpt #: 216 total cpu time spent up to now is 49.8 secs Computing kpt #: 217 total cpu time spent up to now is 50.0 secs Computing kpt #: 218 total cpu time spent up to now is 50.2 secs Computing kpt #: 219 total cpu time spent up to now is 50.4 secs Computing kpt #: 220 total cpu time spent up to now is 50.6 secs Computing kpt #: 221 total cpu time spent up to now is 50.8 secs Computing kpt #: 222 total cpu time spent up to now is 51.0 secs Computing kpt #: 223 total cpu time spent up to now is 51.2 secs Computing kpt #: 224 total cpu time spent up to now is 51.4 secs Computing kpt #: 225 total cpu time spent up to now is 51.6 secs Computing kpt #: 226 total cpu time spent up to now is 51.8 secs Computing kpt #: 227 total cpu time spent up to now is 52.0 secs Computing kpt #: 228 total cpu time spent up to now is 52.2 secs Computing kpt #: 229 total cpu time spent up to now is 52.4 secs Computing kpt #: 230 total cpu time spent up to now is 52.6 secs Computing kpt #: 231 total cpu time spent up to now is 52.8 secs Computing kpt #: 232 total cpu time spent up to now is 53.0 secs Computing kpt #: 233 total cpu time spent up to now is 53.3 secs Computing kpt #: 234 total cpu time spent up to now is 53.5 secs Computing kpt #: 235 total cpu time spent up to now is 53.7 secs Computing kpt #: 236 total cpu time spent up to now is 53.9 secs Computing kpt #: 237 total cpu time spent up to now is 54.1 secs Computing kpt #: 238 total cpu time spent up to now is 54.3 secs Computing kpt #: 239 total cpu time spent up to now is 54.6 secs Computing kpt #: 240 total cpu time spent up to now is 54.8 secs Computing kpt #: 241 total cpu time spent up to now is 55.1 secs Computing kpt #: 242 total cpu time spent up to now is 55.3 secs Computing kpt #: 243 total cpu time spent up to now is 55.5 secs Computing kpt #: 244 total cpu time spent up to now is 55.7 secs Computing kpt #: 245 total cpu time spent up to now is 56.0 secs Computing kpt #: 246 total cpu time spent up to now is 56.2 secs Computing kpt #: 247 total cpu time spent up to now is 56.4 secs Computing kpt #: 248 total cpu time spent up to now is 56.6 secs Computing kpt #: 249 total cpu time spent up to now is 56.8 secs Computing kpt #: 250 total cpu time spent up to now is 57.0 secs Computing kpt #: 251 total cpu time spent up to now is 57.3 secs Computing kpt #: 252 total cpu time spent up to now is 57.5 secs Computing kpt #: 253 total cpu time spent up to now is 57.7 secs Computing kpt #: 254 total cpu time spent up to now is 57.9 secs Computing kpt #: 255 total cpu time spent up to now is 58.2 secs Computing kpt #: 256 total cpu time spent up to now is 58.4 secs Computing kpt #: 257 total cpu time spent up to now is 58.6 secs Computing kpt #: 258 total cpu time spent up to now is 58.8 secs Computing kpt #: 259 total cpu time spent up to now is 59.1 secs Computing kpt #: 260 total cpu time spent up to now is 59.3 secs Computing kpt #: 261 total cpu time spent up to now is 59.5 secs Computing kpt #: 262 total cpu time spent up to now is 59.7 secs Computing kpt #: 263 total cpu time spent up to now is 59.9 secs Computing kpt #: 264 total cpu time spent up to now is 60.2 secs Computing kpt #: 265 total cpu time spent up to now is 60.4 secs Computing kpt #: 266 total cpu time spent up to now is 60.6 secs Computing kpt #: 267 total cpu time spent up to now is 60.8 secs Computing kpt #: 268 total cpu time spent up to now is 61.1 secs Computing kpt #: 269 total cpu time spent up to now is 61.3 secs Computing kpt #: 270 total cpu time spent up to now is 61.5 secs Computing kpt #: 271 total cpu time spent up to now is 61.7 secs Computing kpt #: 272 total cpu time spent up to now is 62.0 secs Computing kpt #: 273 total cpu time spent up to now is 62.3 secs Computing kpt #: 274 total cpu time spent up to now is 62.5 secs Computing kpt #: 275 total cpu time spent up to now is 62.7 secs Computing kpt #: 276 total cpu time spent up to now is 62.9 secs Computing kpt #: 277 total cpu time spent up to now is 63.2 secs Computing kpt #: 278 total cpu time spent up to now is 63.4 secs Computing kpt #: 279 total cpu time spent up to now is 63.7 secs Computing kpt #: 280 total cpu time spent up to now is 63.9 secs Computing kpt #: 281 total cpu time spent up to now is 64.1 secs Computing kpt #: 282 total cpu time spent up to now is 64.4 secs Computing kpt #: 283 total cpu time spent up to now is 64.6 secs Computing kpt #: 284 total cpu time spent up to now is 64.9 secs Computing kpt #: 285 total cpu time spent up to now is 65.1 secs Computing kpt #: 286 total cpu time spent up to now is 65.4 secs Computing kpt #: 287 total cpu time spent up to now is 65.7 secs Computing kpt #: 288 total cpu time spent up to now is 65.9 secs Computing kpt #: 289 total cpu time spent up to now is 66.1 secs Computing kpt #: 290 total cpu time spent up to now is 66.4 secs Computing kpt #: 291 total cpu time spent up to now is 66.6 secs Computing kpt #: 292 total cpu time spent up to now is 66.8 secs Computing kpt #: 293 total cpu time spent up to now is 67.1 secs Computing kpt #: 294 total cpu time spent up to now is 67.4 secs Computing kpt #: 295 total cpu time spent up to now is 67.6 secs Computing kpt #: 296 total cpu time spent up to now is 67.9 secs Computing kpt #: 297 total cpu time spent up to now is 68.1 secs Computing kpt #: 298 total cpu time spent up to now is 68.3 secs Computing kpt #: 299 total cpu time spent up to now is 68.5 secs Computing kpt #: 300 total cpu time spent up to now is 68.8 secs Computing kpt #: 301 total cpu time spent up to now is 69.0 secs Computing kpt #: 302 total cpu time spent up to now is 69.2 secs Computing kpt #: 303 total cpu time spent up to now is 69.4 secs Computing kpt #: 304 total cpu time spent up to now is 69.7 secs Computing kpt #: 305 total cpu time spent up to now is 69.9 secs Computing kpt #: 306 total cpu time spent up to now is 70.1 secs Computing kpt #: 307 total cpu time spent up to now is 70.3 secs Computing kpt #: 308 total cpu time spent up to now is 70.6 secs Computing kpt #: 309 total cpu time spent up to now is 70.8 secs Computing kpt #: 310 total cpu time spent up to now is 71.0 secs Computing kpt #: 311 total cpu time spent up to now is 71.3 secs Computing kpt #: 312 total cpu time spent up to now is 71.5 secs Computing kpt #: 313 total cpu time spent up to now is 71.8 secs Computing kpt #: 314 total cpu time spent up to now is 72.0 secs Computing kpt #: 315 total cpu time spent up to now is 72.2 secs Computing kpt #: 316 total cpu time spent up to now is 72.5 secs Computing kpt #: 317 total cpu time spent up to now is 72.7 secs Computing kpt #: 318 total cpu time spent up to now is 72.9 secs Computing kpt #: 319 total cpu time spent up to now is 73.2 secs Computing kpt #: 320 total cpu time spent up to now is 73.4 secs Computing kpt #: 321 total cpu time spent up to now is 73.6 secs Computing kpt #: 322 total cpu time spent up to now is 73.8 secs Computing kpt #: 323 total cpu time spent up to now is 74.1 secs Computing kpt #: 324 total cpu time spent up to now is 74.3 secs Computing kpt #: 325 total cpu time spent up to now is 74.5 secs Computing kpt #: 326 total cpu time spent up to now is 74.7 secs Computing kpt #: 327 total cpu time spent up to now is 74.9 secs Computing kpt #: 328 total cpu time spent up to now is 75.1 secs Computing kpt #: 329 total cpu time spent up to now is 75.3 secs Computing kpt #: 330 total cpu time spent up to now is 75.5 secs Computing kpt #: 331 total cpu time spent up to now is 75.8 secs Computing kpt #: 332 total cpu time spent up to now is 76.0 secs Computing kpt #: 333 total cpu time spent up to now is 76.2 secs Computing kpt #: 334 total cpu time spent up to now is 76.4 secs Computing kpt #: 335 total cpu time spent up to now is 76.6 secs Computing kpt #: 336 total cpu time spent up to now is 76.8 secs Computing kpt #: 337 total cpu time spent up to now is 77.0 secs Computing kpt #: 338 total cpu time spent up to now is 77.2 secs Computing kpt #: 339 total cpu time spent up to now is 77.4 secs Computing kpt #: 340 total cpu time spent up to now is 77.6 secs Computing kpt #: 341 total cpu time spent up to now is 77.8 secs Computing kpt #: 342 total cpu time spent up to now is 78.0 secs Computing kpt #: 343 total cpu time spent up to now is 78.1 secs Computing kpt #: 344 total cpu time spent up to now is 78.3 secs Computing kpt #: 345 total cpu time spent up to now is 78.5 secs Computing kpt #: 346 total cpu time spent up to now is 78.7 secs Computing kpt #: 347 total cpu time spent up to now is 78.9 secs Computing kpt #: 348 total cpu time spent up to now is 79.1 secs Computing kpt #: 349 total cpu time spent up to now is 79.3 secs Computing kpt #: 350 total cpu time spent up to now is 79.5 secs Computing kpt #: 351 total cpu time spent up to now is 79.7 secs Computing kpt #: 352 total cpu time spent up to now is 79.8 secs Computing kpt #: 353 total cpu time spent up to now is 80.0 secs Computing kpt #: 354 total cpu time spent up to now is 80.2 secs Computing kpt #: 355 total cpu time spent up to now is 80.4 secs Computing kpt #: 356 total cpu time spent up to now is 80.6 secs Computing kpt #: 357 total cpu time spent up to now is 80.7 secs Computing kpt #: 358 total cpu time spent up to now is 80.9 secs Computing kpt #: 359 total cpu time spent up to now is 81.1 secs Computing kpt #: 360 total cpu time spent up to now is 81.3 secs Computing kpt #: 361 total cpu time spent up to now is 81.4 secs Computing kpt #: 362 total cpu time spent up to now is 81.6 secs Computing kpt #: 363 total cpu time spent up to now is 81.8 secs Computing kpt #: 364 total cpu time spent up to now is 82.0 secs Computing kpt #: 365 total cpu time spent up to now is 82.1 secs Computing kpt #: 366 total cpu time spent up to now is 82.3 secs Computing kpt #: 367 total cpu time spent up to now is 82.5 secs Computing kpt #: 368 total cpu time spent up to now is 82.7 secs Computing kpt #: 369 total cpu time spent up to now is 82.8 secs Computing kpt #: 370 total cpu time spent up to now is 83.0 secs Computing kpt #: 371 total cpu time spent up to now is 83.2 secs Computing kpt #: 372 total cpu time spent up to now is 83.3 secs Computing kpt #: 373 total cpu time spent up to now is 83.5 secs Computing kpt #: 374 total cpu time spent up to now is 83.7 secs Computing kpt #: 375 total cpu time spent up to now is 83.9 secs Computing kpt #: 376 total cpu time spent up to now is 84.0 secs Computing kpt #: 377 total cpu time spent up to now is 84.2 secs Computing kpt #: 378 total cpu time spent up to now is 84.4 secs Computing kpt #: 379 total cpu time spent up to now is 84.5 secs Computing kpt #: 380 total cpu time spent up to now is 84.7 secs Computing kpt #: 381 total cpu time spent up to now is 84.9 secs Computing kpt #: 382 total cpu time spent up to now is 85.1 secs Computing kpt #: 383 total cpu time spent up to now is 85.2 secs Computing kpt #: 384 total cpu time spent up to now is 85.4 secs Computing kpt #: 385 total cpu time spent up to now is 85.6 secs Computing kpt #: 386 total cpu time spent up to now is 85.8 secs Computing kpt #: 387 total cpu time spent up to now is 85.9 secs Computing kpt #: 388 total cpu time spent up to now is 86.1 secs Computing kpt #: 389 total cpu time spent up to now is 86.3 secs Computing kpt #: 390 total cpu time spent up to now is 86.5 secs Computing kpt #: 391 total cpu time spent up to now is 86.7 secs Computing kpt #: 392 total cpu time spent up to now is 86.8 secs Computing kpt #: 393 total cpu time spent up to now is 87.0 secs Computing kpt #: 394 total cpu time spent up to now is 87.2 secs Computing kpt #: 395 total cpu time spent up to now is 87.4 secs Computing kpt #: 396 total cpu time spent up to now is 87.6 secs Computing kpt #: 397 total cpu time spent up to now is 87.8 secs Computing kpt #: 398 total cpu time spent up to now is 88.0 secs Computing kpt #: 399 total cpu time spent up to now is 88.2 secs Computing kpt #: 400 total cpu time spent up to now is 88.4 secs Computing kpt #: 401 total cpu time spent up to now is 88.6 secs Computing kpt #: 402 total cpu time spent up to now is 88.8 secs Computing kpt #: 403 total cpu time spent up to now is 89.0 secs Computing kpt #: 404 total cpu time spent up to now is 89.2 secs Computing kpt #: 405 total cpu time spent up to now is 89.4 secs Computing kpt #: 406 total cpu time spent up to now is 89.6 secs Computing kpt #: 407 total cpu time spent up to now is 89.8 secs Computing kpt #: 408 total cpu time spent up to now is 90.0 secs Computing kpt #: 409 total cpu time spent up to now is 90.3 secs Computing kpt #: 410 total cpu time spent up to now is 90.5 secs Computing kpt #: 411 total cpu time spent up to now is 90.7 secs Computing kpt #: 412 total cpu time spent up to now is 90.9 secs Computing kpt #: 413 total cpu time spent up to now is 91.1 secs Computing kpt #: 414 total cpu time spent up to now is 91.3 secs Computing kpt #: 415 total cpu time spent up to now is 91.6 secs Computing kpt #: 416 total cpu time spent up to now is 91.8 secs Computing kpt #: 417 total cpu time spent up to now is 92.0 secs Computing kpt #: 418 total cpu time spent up to now is 92.3 secs Computing kpt #: 419 total cpu time spent up to now is 92.5 secs Computing kpt #: 420 total cpu time spent up to now is 92.7 secs Computing kpt #: 421 total cpu time spent up to now is 92.9 secs Computing kpt #: 422 total cpu time spent up to now is 93.1 secs Computing kpt #: 423 total cpu time spent up to now is 93.3 secs Computing kpt #: 424 total cpu time spent up to now is 93.6 secs Computing kpt #: 425 total cpu time spent up to now is 93.8 secs Computing kpt #: 426 total cpu time spent up to now is 94.0 secs Computing kpt #: 427 total cpu time spent up to now is 94.2 secs Computing kpt #: 428 total cpu time spent up to now is 94.4 secs Computing kpt #: 429 total cpu time spent up to now is 94.7 secs Computing kpt #: 430 total cpu time spent up to now is 94.9 secs Computing kpt #: 431 total cpu time spent up to now is 95.1 secs Computing kpt #: 432 total cpu time spent up to now is 95.3 secs Computing kpt #: 433 total cpu time spent up to now is 95.6 secs Computing kpt #: 434 total cpu time spent up to now is 95.8 secs Computing kpt #: 435 total cpu time spent up to now is 96.0 secs Computing kpt #: 436 total cpu time spent up to now is 96.3 secs Computing kpt #: 437 total cpu time spent up to now is 96.5 secs Computing kpt #: 438 total cpu time spent up to now is 96.7 secs Computing kpt #: 439 total cpu time spent up to now is 97.0 secs Computing kpt #: 440 total cpu time spent up to now is 97.2 secs Computing kpt #: 441 total cpu time spent up to now is 97.4 secs Computing kpt #: 442 total cpu time spent up to now is 97.7 secs Computing kpt #: 443 total cpu time spent up to now is 97.9 secs Computing kpt #: 444 total cpu time spent up to now is 98.3 secs Computing kpt #: 445 total cpu time spent up to now is 98.6 secs Computing kpt #: 446 total cpu time spent up to now is 98.8 secs Computing kpt #: 447 total cpu time spent up to now is 99.0 secs Computing kpt #: 448 total cpu time spent up to now is 99.3 secs Computing kpt #: 449 total cpu time spent up to now is 99.5 secs Computing kpt #: 450 total cpu time spent up to now is 99.7 secs Computing kpt #: 451 total cpu time spent up to now is 100.0 secs Computing kpt #: 452 total cpu time spent up to now is 100.2 secs Computing kpt #: 453 total cpu time spent up to now is 100.5 secs Computing kpt #: 454 total cpu time spent up to now is 100.7 secs Computing kpt #: 455 total cpu time spent up to now is 100.9 secs Computing kpt #: 456 total cpu time spent up to now is 101.2 secs Computing kpt #: 457 total cpu time spent up to now is 101.4 secs Computing kpt #: 458 total cpu time spent up to now is 101.6 secs Computing kpt #: 459 total cpu time spent up to now is 101.9 secs Computing kpt #: 460 total cpu time spent up to now is 102.1 secs Computing kpt #: 461 total cpu time spent up to now is 102.3 secs Computing kpt #: 462 total cpu time spent up to now is 102.6 secs Computing kpt #: 463 total cpu time spent up to now is 102.8 secs Computing kpt #: 464 total cpu time spent up to now is 103.0 secs Computing kpt #: 465 total cpu time spent up to now is 103.2 secs Computing kpt #: 466 total cpu time spent up to now is 103.5 secs Computing kpt #: 467 total cpu time spent up to now is 103.7 secs Computing kpt #: 468 total cpu time spent up to now is 103.9 secs Computing kpt #: 469 total cpu time spent up to now is 104.1 secs Computing kpt #: 470 total cpu time spent up to now is 104.4 secs Computing kpt #: 471 total cpu time spent up to now is 104.6 secs Computing kpt #: 472 total cpu time spent up to now is 104.8 secs Computing kpt #: 473 total cpu time spent up to now is 105.0 secs Computing kpt #: 474 total cpu time spent up to now is 105.2 secs Computing kpt #: 475 total cpu time spent up to now is 105.4 secs Computing kpt #: 476 total cpu time spent up to now is 105.6 secs Computing kpt #: 477 total cpu time spent up to now is 105.8 secs Computing kpt #: 478 total cpu time spent up to now is 106.0 secs Computing kpt #: 479 total cpu time spent up to now is 106.2 secs Computing kpt #: 480 total cpu time spent up to now is 106.5 secs Computing kpt #: 481 total cpu time spent up to now is 106.7 secs Computing kpt #: 482 total cpu time spent up to now is 106.9 secs Computing kpt #: 483 total cpu time spent up to now is 107.1 secs Computing kpt #: 484 total cpu time spent up to now is 107.3 secs Computing kpt #: 485 total cpu time spent up to now is 107.5 secs Computing kpt #: 486 total cpu time spent up to now is 107.7 secs Computing kpt #: 487 total cpu time spent up to now is 107.9 secs Computing kpt #: 488 total cpu time spent up to now is 108.1 secs Computing kpt #: 489 total cpu time spent up to now is 108.3 secs Computing kpt #: 490 total cpu time spent up to now is 108.5 secs Computing kpt #: 491 total cpu time spent up to now is 108.7 secs Computing kpt #: 492 total cpu time spent up to now is 108.9 secs Computing kpt #: 493 total cpu time spent up to now is 109.1 secs Computing kpt #: 494 total cpu time spent up to now is 109.2 secs Computing kpt #: 495 total cpu time spent up to now is 109.4 secs Computing kpt #: 496 total cpu time spent up to now is 109.6 secs Computing kpt #: 497 total cpu time spent up to now is 109.8 secs Computing kpt #: 498 total cpu time spent up to now is 110.0 secs Computing kpt #: 499 total cpu time spent up to now is 110.2 secs Computing kpt #: 500 total cpu time spent up to now is 110.4 secs Computing kpt #: 501 total cpu time spent up to now is 110.6 secs Computing kpt #: 502 total cpu time spent up to now is 110.7 secs Computing kpt #: 503 total cpu time spent up to now is 110.9 secs Computing kpt #: 504 total cpu time spent up to now is 111.1 secs Computing kpt #: 505 total cpu time spent up to now is 111.3 secs Computing kpt #: 506 total cpu time spent up to now is 111.4 secs Computing kpt #: 507 total cpu time spent up to now is 111.6 secs Computing kpt #: 508 total cpu time spent up to now is 111.8 secs Computing kpt #: 509 total cpu time spent up to now is 112.0 secs ethr = 3.13E-08, avg # of iterations = 16.3 total cpu time spent up to now is 112.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9205 -15.9205 -15.8505 -15.8505 -12.5480 -12.5480 -11.1205 -11.1205 -0.3657 -0.3657 0.4017 0.4017 2.0340 2.0340 2.9771 2.9771 3.2818 3.2818 3.8423 3.8423 4.0419 4.0419 4.2495 4.2495 4.5972 4.5972 5.5978 5.5978 7.5720 7.5720 9.7482 9.7482 13.6454 13.6454 15.6144 15.6144 k = 0.0086 0.0037-0.0056 ( 2878 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9206 -15.9206 -15.8505 -15.8505 -12.5476 -12.5476 -11.1208 -11.1208 -0.3650 -0.3650 0.4017 0.4017 2.0337 2.0337 2.9766 2.9766 3.2819 3.2819 3.8384 3.8384 4.0447 4.0447 4.2493 4.2493 4.5963 4.5963 5.5974 5.5974 7.5721 7.5721 9.7513 9.7513 13.6458 13.6458 15.6163 15.6163 k = 0.0172 0.0075-0.0112 ( 2881 PWs) bands (ev): -44.0521 -44.0521 -16.0949 -16.0949 -15.9207 -15.9207 -15.8506 -15.8506 -12.5462 -12.5462 -11.1214 -11.1214 -0.3631 -0.3631 0.4017 0.4017 2.0328 2.0328 2.9751 2.9751 3.2820 3.2820 3.8275 3.8275 4.0523 4.0523 4.2488 4.2488 4.5935 4.5935 5.5962 5.5962 7.5723 7.5723 9.7603 9.7603 13.6468 13.6468 15.6219 15.6219 k = 0.0259 0.0112-0.0168 ( 2877 PWs) bands (ev): -44.0520 -44.0520 -16.0949 -16.0949 -15.9210 -15.9210 -15.8507 -15.8507 -12.5439 -12.5439 -11.1226 -11.1226 -0.3598 -0.3598 0.4018 0.4018 2.0313 2.0313 2.9726 2.9726 3.2824 3.2824 3.8110 3.8110 4.0632 4.0632 4.2480 4.2480 4.5889 4.5889 5.5941 5.5941 7.5726 7.5726 9.7754 9.7754 13.6485 13.6485 15.6312 15.6312 k = 0.0345 0.0149-0.0224 ( 2880 PWs) bands (ev): -44.0520 -44.0520 -16.0950 -16.0950 -15.9213 -15.9213 -15.8510 -15.8510 -12.5408 -12.5408 -11.1242 -11.1242 -0.3552 -0.3552 0.4019 0.4019 2.0292 2.0292 2.9690 2.9690 3.2828 3.2828 3.7905 3.7905 4.0759 4.0759 4.2467 4.2467 4.5829 4.5829 5.5914 5.5914 7.5731 7.5731 9.7964 9.7964 13.6509 13.6509 15.6442 15.6442 k = 0.0431 0.0186-0.0280 ( 2882 PWs) bands (ev): -44.0520 -44.0520 -16.0951 -16.0951 -15.9218 -15.9218 -15.8513 -15.8513 -12.5368 -12.5368 -11.1262 -11.1262 -0.3494 -0.3494 0.4019 0.4019 2.0265 2.0265 2.9643 2.9643 3.2833 3.2833 3.7672 3.7672 4.0889 4.0889 4.2452 4.2452 4.5756 4.5756 5.5878 5.5878 7.5736 7.5736 9.8231 9.8231 13.6539 13.6539 15.6610 15.6610 k = 0.0517 0.0224-0.0336 ( 2874 PWs) bands (ev): -44.0520 -44.0520 -16.0952 -16.0952 -15.9223 -15.9223 -15.8516 -15.8516 -12.5319 -12.5319 -11.1286 -11.1286 -0.3423 -0.3423 0.4020 0.4020 2.0232 2.0232 2.9584 2.9584 3.2840 3.2840 3.7420 3.7420 4.1013 4.1013 4.2434 4.2434 4.5675 4.5675 5.5836 5.5836 7.5743 7.5743 9.8553 9.8553 13.6574 13.6574 15.6814 15.6814 k = 0.0603 0.0261-0.0391 ( 2876 PWs) bands (ev): -44.0519 -44.0519 -16.0954 -16.0954 -15.9229 -15.9229 -15.8520 -15.8520 -12.5262 -12.5262 -11.1314 -11.1314 -0.3340 -0.3340 0.4021 0.4021 2.0193 2.0193 2.9512 2.9512 3.2848 3.2848 3.7155 3.7155 4.1123 4.1123 4.2412 4.2412 4.5588 4.5588 5.5786 5.5786 7.5751 7.5751 9.8930 9.8930 13.6614 13.6614 15.7055 15.7055 k = 0.0690 0.0298-0.0447 ( 2880 PWs) bands (ev): -44.0519 -44.0519 -16.0956 -16.0956 -15.9236 -15.9236 -15.8524 -15.8524 -12.5198 -12.5198 -11.1346 -11.1346 -0.3246 -0.3246 0.4022 0.4022 2.0147 2.0147 2.9428 2.9428 3.2857 3.2857 3.6883 3.6883 4.1213 4.1213 4.2388 4.2388 4.5502 4.5502 5.5730 5.5730 7.5760 7.5760 9.9358 9.9358 13.6657 13.6657 15.7331 15.7331 k = 0.0776 0.0336-0.0503 ( 2876 PWs) bands (ev): -44.0518 -44.0518 -16.0958 -16.0958 -15.9244 -15.9244 -15.8529 -15.8529 -12.5125 -12.5125 -11.1381 -11.1381 -0.3141 -0.3141 0.4024 0.4024 2.0097 2.0097 2.9329 2.9329 3.2867 3.2867 3.6607 3.6607 4.1277 4.1277 4.2362 4.2362 4.5421 4.5421 5.5668 5.5668 7.5770 7.5770 9.9834 9.9834 13.6705 13.6705 15.7644 15.7644 k = 0.0862 0.0373-0.0559 ( 2877 PWs) bands (ev): -44.0518 -44.0518 -16.0960 -16.0960 -15.9253 -15.9253 -15.8534 -15.8534 -12.5046 -12.5046 -11.1419 -11.1419 -0.3026 -0.3026 0.4025 0.4025 2.0039 2.0039 2.9214 2.9214 3.2878 3.2878 3.6331 3.6331 4.1311 4.1311 4.2333 4.2333 4.5350 4.5350 5.5601 5.5601 7.5780 7.5780 10.0358 10.0358 13.6755 13.6755 15.7990 15.7990 k = 0.0948 0.0410-0.0615 ( 2876 PWs) bands (ev): -44.0517 -44.0517 -16.0963 -16.0963 -15.9262 -15.9262 -15.8539 -15.8539 -12.4960 -12.4960 -11.1460 -11.1460 -0.2902 -0.2902 0.4026 0.4026 1.9977 1.9977 2.9082 2.9082 3.2890 3.2890 3.6057 3.6057 4.1313 4.1313 4.2302 4.2302 4.5293 4.5293 5.5529 5.5529 7.5792 7.5792 10.0925 10.0925 13.6806 13.6806 15.8370 15.8370 k = 0.1034 0.0447-0.0671 ( 2874 PWs) bands (ev): -44.0516 -44.0516 -16.0966 -16.0966 -15.9272 -15.9272 -15.8544 -15.8544 -12.4867 -12.4867 -11.1504 -11.1504 -0.2768 -0.2768 0.4028 0.4028 1.9908 1.9908 2.8933 2.8933 3.2904 3.2904 3.5789 3.5789 4.1281 4.1281 4.2268 4.2268 4.5253 4.5253 5.5453 5.5453 7.5804 7.5804 10.1532 10.1532 13.6860 13.6860 15.8783 15.8783 k = 0.1121 0.0485-0.0727 ( 2874 PWs) bands (ev): -44.0516 -44.0516 -16.0969 -16.0969 -15.9283 -15.9283 -15.8550 -15.8550 -12.4769 -12.4769 -11.1549 -11.1549 -0.2627 -0.2627 0.4030 0.4030 1.9833 1.9833 2.8765 2.8765 3.2918 3.2918 3.5529 3.5529 4.1215 4.1215 4.2232 4.2232 4.5231 4.5231 5.5374 5.5374 7.5817 7.5817 10.2177 10.2177 13.6914 13.6914 15.9225 15.9225 k = 0.1207 0.0522-0.0783 ( 2876 PWs) bands (ev): -44.0515 -44.0515 -16.0972 -16.0972 -15.9295 -15.9295 -15.8556 -15.8556 -12.4666 -12.4666 -11.1596 -11.1596 -0.2479 -0.2479 0.4031 0.4031 1.9753 1.9753 2.8578 2.8578 3.2933 3.2933 3.5279 3.5279 4.1117 4.1117 4.2193 4.2193 4.5227 4.5227 5.5292 5.5292 7.5830 7.5830 10.2857 10.2857 13.6969 13.6969 15.9696 15.9696 k = 0.1293 0.0559-0.0839 ( 2877 PWs) bands (ev): -44.0514 -44.0514 -16.0976 -16.0976 -15.9307 -15.9307 -15.8562 -15.8562 -12.4558 -12.4558 -11.1643 -11.1643 -0.2324 -0.2324 0.4033 0.4033 1.9667 1.9667 2.8370 2.8370 3.2949 3.2949 3.5042 3.5042 4.0993 4.0993 4.2152 4.2152 4.5239 4.5239 5.5209 5.5209 7.5843 7.5843 10.3568 10.3568 13.7025 13.7025 16.0192 16.0192 k = 0.1379 0.0597-0.0895 ( 2877 PWs) bands (ev): -44.0513 -44.0513 -16.0980 -16.0980 -15.9319 -15.9319 -15.8568 -15.8568 -12.4446 -12.4446 -11.1692 -11.1692 -0.2164 -0.2164 0.4034 0.4034 1.9576 1.9576 2.8141 2.8141 3.2965 3.2965 3.4819 3.4819 4.0844 4.0844 4.2108 4.2108 4.5265 4.5265 5.5125 5.5125 7.5857 7.5857 10.4307 10.4307 13.7081 13.7081 16.0711 16.0711 k = 0.1466 0.0634-0.0951 ( 2871 PWs) bands (ev): -44.0512 -44.0512 -16.0984 -16.0984 -15.9332 -15.9332 -15.8573 -15.8573 -12.4330 -12.4330 -11.1740 -11.1740 -0.2001 -0.2001 0.4036 0.4036 1.9479 1.9479 2.7893 2.7893 3.2982 3.2982 3.4612 3.4612 4.0677 4.0677 4.2062 4.2062 4.5301 4.5301 5.5041 5.5041 7.5871 7.5871 10.5072 10.5072 13.7137 13.7137 16.1248 16.1248 k = 0.1552 0.0671-0.1007 ( 2872 PWs) bands (ev): -44.0511 -44.0511 -16.0989 -16.0989 -15.9345 -15.9345 -15.8579 -15.8579 -12.4212 -12.4212 -11.1788 -11.1788 -0.1834 -0.1834 0.4038 0.4038 1.9377 1.9377 2.7625 2.7625 3.2999 3.2999 3.4422 3.4422 4.0496 4.0496 4.2014 4.2014 4.5345 4.5345 5.4958 5.4958 7.5885 7.5885 10.5860 10.5860 13.7194 13.7194 16.1799 16.1799 k = 0.1638 0.0709-0.1062 ( 2872 PWs) bands (ev): -44.0510 -44.0510 -16.0994 -16.0994 -15.9358 -15.9358 -15.8585 -15.8585 -12.4093 -12.4093 -11.1835 -11.1835 -0.1665 -0.1665 0.4039 0.4039 1.9270 1.9270 2.7338 2.7338 3.3016 3.3016 3.4249 3.4249 4.0305 4.0305 4.1964 4.1964 4.5392 4.5392 5.4876 5.4876 7.5898 7.5898 10.6666 10.6666 13.7252 13.7252 16.2358 16.2358 k = 0.1724 0.0746-0.1118 ( 2870 PWs) bands (ev): -44.0509 -44.0509 -16.1000 -16.1000 -15.9372 -15.9372 -15.8590 -15.8590 -12.3972 -12.3972 -11.1881 -11.1881 -0.1496 -0.1496 0.4041 0.4041 1.9158 1.9158 2.7035 2.7035 3.3033 3.3033 3.4094 3.4094 4.0107 4.0107 4.1913 4.1913 4.5441 4.5441 5.4797 5.4797 7.5912 7.5912 10.7489 10.7489 13.7313 13.7313 16.2919 16.2919 k = 0.1810 0.0783-0.1174 ( 2864 PWs) bands (ev): -44.0508 -44.0508 -16.1006 -16.1006 -15.9384 -15.9384 -15.8595 -15.8595 -12.3850 -12.3850 -11.1924 -11.1924 -0.1327 -0.1327 0.4042 0.4042 1.9043 1.9043 2.6716 2.6716 3.3049 3.3049 3.3956 3.3956 3.9907 3.9907 4.1861 4.1861 4.5489 4.5489 5.4722 5.4722 7.5925 7.5925 10.8324 10.8324 13.7376 13.7376 16.3473 16.3473 k = 0.1897 0.0820-0.1230 ( 2863 PWs) bands (ev): -44.0507 -44.0507 -16.1012 -16.1012 -15.9398 -15.9398 -15.8600 -15.8600 -12.3729 -12.3729 -11.1964 -11.1964 -0.1160 -0.1160 0.4043 0.4043 1.8922 1.8922 2.6385 2.6385 3.3063 3.3063 3.3836 3.3836 3.9707 3.9707 4.1809 4.1809 4.5534 4.5534 5.4649 5.4649 7.5938 7.5938 10.9170 10.9170 13.7442 13.7442 16.4012 16.4012 k = 0.1983 0.0858-0.1286 ( 2859 PWs) bands (ev): -44.0506 -44.0506 -16.1018 -16.1018 -15.9410 -15.9410 -15.8605 -15.8605 -12.3609 -12.3609 -11.2002 -11.2002 -0.0995 -0.0995 0.4044 0.4044 1.8798 1.8798 2.6043 2.6043 3.3075 3.3075 3.3734 3.3734 3.9510 3.9510 4.1755 4.1755 4.5575 4.5575 5.4581 5.4581 7.5951 7.5951 11.0022 11.0022 13.7514 13.7514 16.4525 16.4525 k = 0.2069 0.0895-0.1342 ( 2859 PWs) bands (ev): -44.0505 -44.0505 -16.1025 -16.1025 -15.9423 -15.9423 -15.8610 -15.8610 -12.3490 -12.3490 -11.2036 -11.2036 -0.0835 -0.0835 0.4045 0.4045 1.8671 1.8671 2.5693 2.5693 3.3082 3.3082 3.3650 3.3650 3.9318 3.9318 4.1702 4.1702 4.5611 4.5611 5.4517 5.4517 7.5963 7.5963 11.0878 11.0878 13.7591 13.7591 16.4998 16.4998 k = 0.2155 0.0932-0.1398 ( 2855 PWs) bands (ev): -44.0504 -44.0504 -16.1033 -16.1033 -15.9435 -15.9435 -15.8614 -15.8614 -12.3374 -12.3374 -11.2065 -11.2065 -0.0680 -0.0680 0.4046 0.4046 1.8541 1.8541 2.5337 2.5337 3.3084 3.3084 3.3585 3.3585 3.9133 3.9133 4.1648 4.1648 4.5640 4.5640 5.4459 5.4459 7.5974 7.5974 11.1736 11.1736 13.7677 13.7677 16.5420 16.5420 k = 0.2241 0.0970-0.1454 ( 2854 PWs) bands (ev): -44.0502 -44.0502 -16.1041 -16.1041 -15.9447 -15.9447 -15.8619 -15.8619 -12.3261 -12.3261 -11.2090 -11.2090 -0.0532 -0.0532 0.4047 0.4047 1.8408 1.8408 2.4978 2.4978 3.3079 3.3079 3.3539 3.3539 3.8957 3.8957 4.1595 4.1595 4.5662 4.5662 5.4405 5.4405 7.5985 7.5985 11.2591 11.2591 13.7772 13.7772 16.5775 16.5775 k = 0.2328 0.1007-0.1510 ( 2849 PWs) bands (ev): -44.0501 -44.0501 -16.1049 -16.1049 -15.9458 -15.9458 -15.8623 -15.8623 -12.3152 -12.3152 -11.2110 -11.2110 -0.0391 -0.0391 0.4047 0.4047 1.8274 1.8274 2.4617 2.4617 3.3067 3.3067 3.3510 3.3510 3.8791 3.8791 4.1541 4.1541 4.5677 4.5677 5.4358 5.4358 7.5995 7.5995 11.3440 11.3440 13.7878 13.7878 16.6050 16.6050 k = 0.2414 0.1044-0.1566 ( 2850 PWs) bands (ev): -44.0500 -44.0500 -16.1057 -16.1057 -15.9469 -15.9469 -15.8627 -15.8627 -12.3048 -12.3048 -11.2124 -11.2124 -0.0258 -0.0258 0.4048 0.4048 1.8139 1.8139 2.4257 2.4257 3.3049 3.3049 3.3497 3.3497 3.8635 3.8635 4.1488 4.1488 4.5683 4.5683 5.4316 5.4316 7.6004 7.6004 11.4281 11.4281 13.7997 13.7997 16.6236 16.6236 k = 0.2500 0.1081-0.1622 ( 2853 PWs) bands (ev): -44.0499 -44.0499 -16.1067 -16.1067 -15.9479 -15.9479 -15.8630 -15.8630 -12.2948 -12.2948 -11.2132 -11.2132 -0.0135 -0.0135 0.4048 0.4048 1.8003 1.8003 2.3899 2.3899 3.3027 3.3027 3.3496 3.3496 3.8492 3.8492 4.1435 4.1435 4.5681 4.5681 5.4279 5.4279 7.6013 7.6013 11.5111 11.5111 13.8132 13.8132 16.6325 16.6325 k = 0.2586 0.1119-0.1678 ( 2849 PWs) bands (ev): -44.0498 -44.0498 -16.1076 -16.1076 -15.9488 -15.9488 -15.8633 -15.8633 -12.2853 -12.2853 -11.2135 -11.2135 -0.0022 -0.0022 0.4047 0.4047 1.7868 1.7868 2.3546 2.3546 3.3004 3.3004 3.3504 3.3504 3.8363 3.8363 4.1383 4.1383 4.5671 4.5671 5.4248 5.4248 7.6020 7.6020 11.5926 11.5926 13.8284 13.8284 16.6317 16.6317 k = 0.2672 0.1156-0.1733 ( 2851 PWs) bands (ev): -44.0497 -44.0497 -16.1086 -16.1086 -15.9497 -15.9497 -15.8636 -15.8636 -12.2765 -12.2765 -11.2131 -11.2131 0.0079 0.0079 0.4047 0.4047 1.7734 1.7734 2.3199 2.3199 3.2981 3.2981 3.3518 3.3518 3.8247 3.8247 4.1332 4.1332 4.5652 4.5652 5.4223 5.4223 7.6027 7.6027 11.6723 11.6723 13.8456 13.8456 16.6215 16.6215 k = 0.2759 0.1193-0.1789 ( 2849 PWs) bands (ev): -44.0495 -44.0495 -16.1096 -16.1096 -15.9505 -15.9505 -15.8639 -15.8639 -12.2683 -12.2683 -11.2121 -11.2121 0.0170 0.0170 0.4046 0.4046 1.7603 1.7603 2.2858 2.2858 3.2960 3.2960 3.3536 3.3536 3.8146 3.8146 4.1282 4.1282 4.5625 4.5625 5.4202 5.4202 7.6033 7.6033 11.7500 11.7500 13.8649 13.8649 16.6029 16.6029 k = 0.2845 0.1231-0.1845 ( 2852 PWs) bands (ev): -44.0494 -44.0494 -16.1107 -16.1107 -15.9513 -15.9513 -15.8642 -15.8642 -12.2607 -12.2607 -11.2106 -11.2106 0.0248 0.0248 0.4044 0.4044 1.7474 1.7474 2.2526 2.2526 3.2940 3.2940 3.3557 3.3557 3.8061 3.8061 4.1233 4.1233 4.5590 4.5590 5.4187 5.4187 7.6038 7.6038 11.8254 11.8254 13.8865 13.8865 16.5770 16.5770 k = 0.2931 0.1268-0.1901 ( 2853 PWs) bands (ev): -44.0493 -44.0493 -16.1117 -16.1117 -15.9520 -15.9520 -15.8644 -15.8644 -12.2537 -12.2537 -11.2084 -11.2084 0.0314 0.0314 0.4042 0.4042 1.7348 1.7348 2.2202 2.2202 3.2923 3.2923 3.3580 3.3580 3.7990 3.7990 4.1185 4.1185 4.5547 4.5547 5.4176 5.4176 7.6043 7.6043 11.8982 11.8982 13.9106 13.9106 16.5451 16.5451 k = 0.3017 0.1305-0.1957 ( 2853 PWs) bands (ev): -44.0492 -44.0492 -16.1128 -16.1128 -15.9525 -15.9525 -15.8646 -15.8646 -12.2474 -12.2474 -11.2056 -11.2056 0.0367 0.0367 0.4040 0.4040 1.7228 1.7228 2.1887 2.1887 3.2908 3.2908 3.3604 3.3604 3.7936 3.7936 4.1138 4.1138 4.5496 4.5496 5.4170 5.4170 7.6047 7.6047 11.9682 11.9682 13.9374 13.9374 16.5084 16.5084 k = 0.3103 0.1342-0.2013 ( 2851 PWs) bands (ev): -44.0491 -44.0491 -16.1139 -16.1139 -15.9530 -15.9530 -15.8647 -15.8647 -12.2418 -12.2418 -11.2023 -11.2023 0.0409 0.0409 0.4038 0.4038 1.7112 1.7112 2.1583 2.1583 3.2895 3.2895 3.3628 3.3628 3.7897 3.7897 4.1092 4.1092 4.5438 4.5438 5.4167 5.4167 7.6050 7.6050 12.0352 12.0352 13.9669 13.9669 16.4680 16.4680 k = 0.3190 0.1380-0.2069 ( 2853 PWs) bands (ev): -44.0490 -44.0490 -16.1150 -16.1150 -15.9535 -15.9535 -15.8649 -15.8649 -12.2368 -12.2368 -11.1984 -11.1984 0.0438 0.0438 0.4035 0.4035 1.7003 1.7003 2.1289 2.1289 3.2884 3.2884 3.3653 3.3653 3.7874 3.7874 4.1048 4.1048 4.5373 4.5373 5.4168 5.4168 7.6052 7.6052 12.0991 12.0991 13.9993 13.9993 16.4248 16.4248 k = 0.3276 0.1417-0.2125 ( 2852 PWs) bands (ev): -44.0489 -44.0489 -16.1161 -16.1161 -15.9539 -15.9539 -15.8650 -15.8650 -12.2325 -12.2325 -11.1941 -11.1941 0.0456 0.0456 0.4031 0.4031 1.6900 1.6900 2.1006 2.1006 3.2874 3.2874 3.3677 3.3677 3.7867 3.7867 4.1006 4.1006 4.5301 4.5301 5.4172 5.4172 7.6053 7.6053 12.1597 12.1597 14.0344 14.0344 16.3797 16.3797 k = 0.3362 0.1454-0.2181 ( 2855 PWs) bands (ev): -44.0488 -44.0488 -16.1173 -16.1173 -15.9542 -15.9542 -15.8651 -15.8651 -12.2287 -12.2287 -11.1895 -11.1895 0.0463 0.0463 0.4028 0.4028 1.6804 1.6804 2.0734 2.0734 3.2866 3.2866 3.3700 3.3700 3.7874 3.7874 4.0965 4.0965 4.5223 4.5223 5.4179 5.4179 7.6054 7.6054 12.2170 12.2170 14.0723 14.0723 16.3329 16.3329 k = 0.3448 0.1492-0.2237 ( 2853 PWs) bands (ev): -44.0487 -44.0487 -16.1183 -16.1183 -15.9544 -15.9544 -15.8652 -15.8652 -12.2255 -12.2255 -11.1844 -11.1844 0.0460 0.0460 0.4024 0.4024 1.6716 1.6716 2.0473 2.0473 3.2859 3.2859 3.3723 3.3723 3.7896 3.7896 4.0926 4.0926 4.5140 4.5140 5.4188 5.4188 7.6055 7.6055 12.2709 12.2709 14.1128 14.1128 16.2846 16.2846 k = 0.3534 0.1529-0.2293 ( 2851 PWs) bands (ev): -44.0486 -44.0486 -16.1194 -16.1194 -15.9546 -15.9546 -15.8652 -15.8652 -12.2229 -12.2229 -11.1791 -11.1791 0.0447 0.0447 0.4020 0.4020 1.6636 1.6636 2.0223 2.0223 3.2853 3.2853 3.3744 3.3744 3.7932 3.7932 4.0889 4.0889 4.5052 4.5052 5.4198 5.4198 7.6054 7.6054 12.3215 12.3215 14.1558 14.1558 16.2328 16.2328 k = 0.3621 0.1566-0.2349 ( 2851 PWs) bands (ev): -44.0485 -44.0485 -16.1204 -16.1204 -15.9548 -15.9548 -15.8653 -15.8653 -12.2207 -12.2207 -11.1736 -11.1736 0.0426 0.0426 0.4015 0.4015 1.6563 1.6563 1.9985 1.9985 3.2847 3.2847 3.3765 3.3765 3.7980 3.7980 4.0854 4.0854 4.4959 4.4959 5.4211 5.4211 7.6054 7.6054 12.3688 12.3688 14.2011 14.2011 16.1685 16.1685 k = 0.3707 0.1604-0.2404 ( 2852 PWs) bands (ev): -44.0484 -44.0484 -16.1215 -16.1215 -15.9549 -15.9549 -15.8653 -15.8653 -12.2190 -12.2190 -11.1679 -11.1679 0.0398 0.0398 0.4011 0.4011 1.6499 1.6499 1.9758 1.9758 3.2842 3.2842 3.3784 3.3784 3.8040 3.8040 4.0820 4.0820 4.4862 4.4862 5.4224 5.4224 7.6052 7.6052 12.4128 12.4128 14.2483 14.2483 16.0949 16.0949 k = 0.3793 0.1641-0.2460 ( 2850 PWs) bands (ev): -44.0483 -44.0483 -16.1224 -16.1224 -15.9550 -15.9550 -15.8653 -15.8653 -12.2176 -12.2176 -11.1622 -11.1622 0.0364 0.0364 0.4006 0.4006 1.6443 1.6443 1.9542 1.9542 3.2838 3.2838 3.3803 3.3803 3.8110 3.8110 4.0789 4.0789 4.4763 4.4763 5.4239 5.4239 7.6051 7.6051 12.4537 12.4537 14.2971 14.2971 16.0218 16.0218 k = 0.3879 0.1678-0.2516 ( 2854 PWs) bands (ev): -44.0483 -44.0483 -16.1234 -16.1234 -15.9550 -15.9550 -15.8654 -15.8654 -12.2166 -12.2166 -11.1565 -11.1565 0.0326 0.0326 0.4002 0.4002 1.6395 1.6395 1.9338 1.9338 3.2834 3.2834 3.3820 3.3820 3.8188 3.8188 4.0760 4.0760 4.4661 4.4661 5.4253 5.4253 7.6049 7.6049 12.4916 12.4916 14.3472 14.3472 15.9514 15.9514 k = 0.3966 0.1715-0.2572 ( 2848 PWs) bands (ev): -44.0482 -44.0482 -16.1243 -16.1243 -15.9550 -15.9550 -15.8653 -15.8653 -12.2160 -12.2160 -11.1509 -11.1509 0.0284 0.0284 0.3997 0.3997 1.6355 1.6355 1.9146 1.9146 3.2830 3.2830 3.3836 3.3836 3.8274 3.8274 4.0732 4.0732 4.4557 4.4557 5.4268 5.4268 7.6048 7.6048 12.5266 12.5266 14.3981 14.3981 15.8844 15.8844 k = 0.4052 0.1753-0.2628 ( 2850 PWs) bands (ev): -44.0481 -44.0481 -16.1251 -16.1251 -15.9550 -15.9550 -15.8653 -15.8653 -12.2155 -12.2155 -11.1454 -11.1454 0.0239 0.0239 0.3993 0.3993 1.6322 1.6322 1.8966 1.8966 3.2826 3.2826 3.3850 3.3850 3.8365 3.8365 4.0707 4.0707 4.4454 4.4454 5.4283 5.4283 7.6046 7.6046 12.5587 12.5587 14.4494 14.4494 15.8213 15.8213 k = 0.4138 0.1790-0.2684 ( 2853 PWs) bands (ev): -44.0481 -44.0481 -16.1259 -16.1259 -15.9550 -15.9550 -15.8654 -15.8654 -12.2153 -12.2153 -11.1401 -11.1401 0.0194 0.0194 0.3989 0.3989 1.6296 1.6296 1.8797 1.8797 3.2823 3.2823 3.3864 3.3864 3.8459 3.8459 4.0684 4.0684 4.4351 4.4351 5.4297 5.4297 7.6043 7.6043 12.5880 12.5880 14.5006 14.5006 15.7623 15.7623 k = 0.4224 0.1827-0.2740 ( 2849 PWs) bands (ev): -44.0480 -44.0480 -16.1266 -16.1266 -15.9549 -15.9549 -15.8653 -15.8653 -12.2152 -12.2152 -11.1352 -11.1352 0.0149 0.0149 0.3985 0.3985 1.6277 1.6277 1.8642 1.8642 3.2820 3.2820 3.3876 3.3876 3.8554 3.8554 4.0664 4.0664 4.4250 4.4250 5.4311 5.4311 7.6041 7.6041 12.6146 12.6146 14.5510 14.5510 15.7079 15.7079 k = 0.4310 0.1865-0.2796 ( 2845 PWs) bands (ev): -44.0479 -44.0479 -16.1273 -16.1273 -15.9548 -15.9548 -15.8653 -15.8653 -12.2153 -12.2153 -11.1306 -11.1306 0.0105 0.0105 0.3981 0.3981 1.6264 1.6264 1.8500 1.8500 3.2817 3.2817 3.3887 3.3887 3.8649 3.8649 4.0645 4.0645 4.4153 4.4153 5.4324 5.4324 7.6039 7.6039 12.6386 12.6386 14.6001 14.6001 15.6585 15.6585 k = 0.4397 0.1902-0.2852 ( 2843 PWs) bands (ev): -44.0479 -44.0479 -16.1278 -16.1278 -15.9548 -15.9548 -15.8653 -15.8653 -12.2154 -12.2154 -11.1264 -11.1264 0.0064 0.0064 0.3978 0.3978 1.6256 1.6256 1.8371 1.8371 3.2815 3.2815 3.3897 3.3897 3.8740 3.8740 4.0629 4.0629 4.4060 4.4060 5.4335 5.4335 7.6038 7.6038 12.6598 12.6598 14.6472 14.6472 15.6143 15.6143 k = 0.4483 0.1939-0.2908 ( 2846 PWs) bands (ev): -44.0478 -44.0478 -16.1284 -16.1284 -15.9548 -15.9548 -15.8652 -15.8652 -12.2156 -12.2156 -11.1227 -11.1227 0.0026 0.0026 0.3975 0.3975 1.6252 1.6252 1.8256 1.8256 3.2813 3.2813 3.3905 3.3905 3.8825 3.8825 4.0615 4.0615 4.3975 4.3975 5.4346 5.4346 7.6036 7.6036 12.6783 12.6783 14.6914 14.6914 15.5757 15.5757 k = 0.4569 0.1976-0.2964 ( 2848 PWs) bands (ev): -44.0478 -44.0478 -16.1288 -16.1288 -15.9547 -15.9547 -15.8652 -15.8652 -12.2159 -12.2159 -11.1194 -11.1194 -0.0008 -0.0008 0.3972 0.3972 1.6251 1.6251 1.8157 1.8157 3.2811 3.2811 3.3912 3.3912 3.8903 3.8903 4.0604 4.0604 4.3899 4.3899 5.4355 5.4355 7.6034 7.6034 12.6941 12.6941 14.7318 14.7318 15.5429 15.5429 k = 0.4655 0.2014-0.3020 ( 2845 PWs) bands (ev): -44.0478 -44.0478 -16.1292 -16.1292 -15.9547 -15.9547 -15.8652 -15.8652 -12.2161 -12.2161 -11.1167 -11.1167 -0.0036 -0.0036 0.3970 0.3970 1.6253 1.6253 1.8074 1.8074 3.2809 3.2809 3.3918 3.3918 3.8970 3.8970 4.0595 4.0595 4.3833 4.3833 5.4363 5.4363 7.6033 7.6033 12.7072 12.7072 14.7674 14.7674 15.5163 15.5163 k = 0.4741 0.2051-0.3076 ( 2841 PWs) bands (ev): -44.0478 -44.0478 -16.1295 -16.1295 -15.9546 -15.9546 -15.8652 -15.8652 -12.2163 -12.2163 -11.1146 -11.1146 -0.0059 -0.0059 0.3969 0.3969 1.6256 1.6256 1.8008 1.8008 3.2808 3.2808 3.3923 3.3923 3.9025 3.9025 4.0588 4.0588 4.3779 4.3779 5.4368 5.4368 7.6032 7.6032 12.7174 12.7174 14.7969 14.7969 15.4958 15.4958 k = 0.4828 0.2088-0.3131 ( 2841 PWs) bands (ev): -44.0477 -44.0477 -16.1297 -16.1297 -15.9546 -15.9546 -15.8651 -15.8651 -12.2164 -12.2164 -11.1130 -11.1130 -0.0076 -0.0076 0.3967 0.3967 1.6258 1.6258 1.7960 1.7960 3.2807 3.2807 3.3926 3.3926 3.9066 3.9066 4.0583 4.0583 4.3739 4.3739 5.4373 5.4373 7.6031 7.6031 12.7247 12.7247 14.8191 14.8191 15.4815 15.4815 k = 0.4914 0.2126-0.3187 ( 2839 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9546 -15.9546 -15.8651 -15.8651 -12.2165 -12.2165 -11.1121 -11.1121 -0.0086 -0.0086 0.3967 0.3967 1.6260 1.6260 1.7931 1.7931 3.2807 3.2807 3.3928 3.3928 3.9091 3.9091 4.0580 4.0580 4.3715 4.3715 5.4375 5.4375 7.6031 7.6031 12.7291 12.7291 14.8329 14.8329 15.4731 15.4731 k = 0.5000 0.2163-0.3243 ( 2842 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9546 -15.9546 -15.8652 -15.8652 -12.2165 -12.2165 -11.1118 -11.1118 -0.0089 -0.0089 0.3966 0.3966 1.6261 1.6261 1.7921 1.7921 3.2807 3.2807 3.3929 3.3929 3.9100 3.9100 4.0579 4.0579 4.3707 4.3707 5.4376 5.4376 7.6030 7.6030 12.7306 12.7306 14.8376 14.8376 15.4703 15.4703 k = 0.5000 0.2163-0.3243 ( 2842 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9546 -15.9546 -15.8652 -15.8652 -12.2165 -12.2165 -11.1118 -11.1118 -0.0089 -0.0089 0.3966 0.3966 1.6261 1.6261 1.7921 1.7921 3.2807 3.2807 3.3929 3.3929 3.9100 3.9100 4.0579 4.0579 4.3707 4.3707 5.4376 5.4376 7.6030 7.6030 12.7306 12.7306 14.8376 14.8376 15.4703 15.4703 k = 0.5031 0.2176-0.3187 ( 2837 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9545 -15.9545 -15.8651 -15.8651 -12.2166 -12.2166 -11.1118 -11.1118 -0.0091 -0.0091 0.3966 0.3966 1.6261 1.6261 1.7922 1.7922 3.2807 3.2807 3.3929 3.3929 3.9103 3.9103 4.0579 4.0579 4.3707 4.3707 5.4376 5.4376 7.6030 7.6030 12.7308 12.7308 14.8367 14.8367 15.4488 15.4488 k = 0.5031 0.2176-0.3187 ( 2837 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9545 -15.9545 -15.8651 -15.8651 -12.2166 -12.2166 -11.1118 -11.1118 -0.0091 -0.0091 0.3966 0.3966 1.6261 1.6261 1.7922 1.7922 3.2807 3.2807 3.3929 3.3929 3.9103 3.9103 4.0579 4.0579 4.3707 4.3707 5.4376 5.4376 7.6030 7.6030 12.7308 12.7308 14.8367 14.8367 15.4488 15.4488 k = 0.5030 0.2176-0.3079 ( 2839 PWs) bands (ev): -44.0477 -44.0477 -16.1299 -16.1299 -15.9546 -15.9546 -15.8651 -15.8651 -12.2164 -12.2164 -11.1118 -11.1118 -0.0099 -0.0099 0.3966 0.3966 1.6257 1.6257 1.7922 1.7922 3.2806 3.2806 3.3928 3.3928 3.9119 3.9119 4.0582 4.0582 4.3712 4.3712 5.4372 5.4372 7.6027 7.6027 12.7317 12.7317 14.8361 14.8361 15.3796 15.3796 k = 0.5028 0.2175-0.2971 ( 2837 PWs) bands (ev): -44.0477 -44.0477 -16.1299 -16.1299 -15.9546 -15.9546 -15.8651 -15.8651 -12.2161 -12.2161 -11.1118 -11.1118 -0.0112 -0.0112 0.3965 0.3965 1.6249 1.6249 1.7921 1.7921 3.2805 3.2805 3.3927 3.3927 3.9147 3.9147 4.0587 4.0587 4.3725 4.3725 5.4365 5.4365 7.6022 7.6022 12.7330 12.7330 14.8354 14.8354 15.3013 15.3013 k = 0.5027 0.2175-0.2863 ( 2839 PWs) bands (ev): -44.0477 -44.0477 -16.1300 -16.1300 -15.9546 -15.9546 -15.8651 -15.8651 -12.2156 -12.2156 -11.1120 -11.1120 -0.0132 -0.0132 0.3963 0.3963 1.6237 1.6237 1.7920 1.7920 3.2803 3.2803 3.3926 3.3926 3.9187 3.9187 4.0594 4.0594 4.3746 4.3746 5.4355 5.4355 7.6013 7.6013 12.7346 12.7346 14.8344 14.8344 15.2224 15.2224 k = 0.5026 0.2174-0.2755 ( 2841 PWs) bands (ev): -44.0477 -44.0477 -16.1302 -16.1302 -15.9547 -15.9547 -15.8651 -15.8651 -12.2149 -12.2149 -11.1122 -11.1122 -0.0158 -0.0158 0.3961 0.3961 1.6221 1.6221 1.7917 1.7917 3.2800 3.2800 3.3923 3.3923 3.9240 3.9240 4.0604 4.0604 4.3774 4.3774 5.4341 5.4341 7.6003 7.6003 12.7366 12.7366 14.8328 14.8328 15.1451 15.1451 k = 0.5025 0.2174-0.2647 ( 2833 PWs) bands (ev): -44.0477 -44.0477 -16.1303 -16.1303 -15.9547 -15.9547 -15.8651 -15.8651 -12.2141 -12.2141 -11.1125 -11.1125 -0.0188 -0.0188 0.3958 0.3958 1.6203 1.6203 1.7912 1.7912 3.2796 3.2796 3.3921 3.3921 3.9306 3.9306 4.0616 4.0616 4.3807 4.3807 5.4322 5.4322 7.5990 7.5990 12.7390 12.7390 14.8303 14.8303 15.0703 15.0703 k = 0.5024 0.2173-0.2539 ( 2832 PWs) bands (ev): -44.0477 -44.0477 -16.1305 -16.1305 -15.9548 -15.9548 -15.8651 -15.8651 -12.2131 -12.2131 -11.1129 -11.1129 -0.0224 -0.0224 0.3955 0.3955 1.6183 1.6183 1.7904 1.7904 3.2791 3.2791 3.3918 3.3918 3.9387 3.9387 4.0629 4.0629 4.3847 4.3847 5.4299 5.4299 7.5974 7.5974 12.7419 12.7419 14.8257 14.8257 14.9998 14.9998 k = 0.5023 0.2173-0.2431 ( 2836 PWs) bands (ev): -44.0477 -44.0477 -16.1307 -16.1307 -15.9549 -15.9549 -15.8651 -15.8651 -12.2119 -12.2119 -11.1133 -11.1133 -0.0264 -0.0264 0.3951 0.3951 1.6161 1.6161 1.7892 1.7892 3.2785 3.2785 3.3915 3.3915 3.9480 3.9480 4.0645 4.0645 4.3890 4.3890 5.4271 5.4271 7.5956 7.5956 12.7452 12.7452 14.8155 14.8155 14.9369 14.9369 k = 0.5022 0.2173-0.2323 ( 2839 PWs) bands (ev): -44.0477 -44.0477 -16.1310 -16.1310 -15.9550 -15.9550 -15.8651 -15.8651 -12.2106 -12.2106 -11.1138 -11.1138 -0.0308 -0.0308 0.3947 0.3947 1.6139 1.6139 1.7876 1.7876 3.2778 3.2778 3.3911 3.3911 3.9588 3.9588 4.0664 4.0664 4.3938 4.3938 5.4236 5.4236 7.5937 7.5937 12.7490 12.7490 14.7910 14.7910 14.8908 14.8908 k = 0.5021 0.2172-0.2214 ( 2838 PWs) bands (ev): -44.0477 -44.0477 -16.1313 -16.1313 -15.9551 -15.9551 -15.8651 -15.8651 -12.2091 -12.2091 -11.1143 -11.1143 -0.0355 -0.0355 0.3943 0.3943 1.6117 1.6117 1.7855 1.7855 3.2771 3.2771 3.3907 3.3907 3.9711 3.9711 4.0685 4.0685 4.3988 4.3988 5.4196 5.4196 7.5915 7.5915 12.7534 12.7534 14.7455 14.7455 14.8680 14.8680 k = 0.5020 0.2172-0.2106 ( 2836 PWs) bands (ev): -44.0477 -44.0477 -16.1315 -16.1315 -15.9552 -15.9552 -15.8652 -15.8652 -12.2076 -12.2076 -11.1149 -11.1149 -0.0406 -0.0406 0.3939 0.3939 1.6097 1.6097 1.7828 1.7828 3.2763 3.2763 3.3903 3.3903 3.9847 3.9847 4.0709 4.0709 4.4040 4.4040 5.4148 5.4148 7.5892 7.5892 12.7584 12.7584 14.6890 14.6890 14.8588 14.8588 k = 0.5019 0.2171-0.1998 ( 2842 PWs) bands (ev): -44.0477 -44.0477 -16.1319 -16.1319 -15.9553 -15.9553 -15.8652 -15.8652 -12.2059 -12.2059 -11.1155 -11.1155 -0.0459 -0.0459 0.3934 0.3934 1.6078 1.6078 1.7796 1.7796 3.2754 3.2754 3.3899 3.3899 3.9995 3.9995 4.0736 4.0736 4.4093 4.4093 5.4093 5.4093 7.5868 7.5868 12.7639 12.7639 14.6300 14.6300 14.8546 14.8546 k = 0.5018 0.2171-0.1890 ( 2841 PWs) bands (ev): -44.0477 -44.0477 -16.1322 -16.1322 -15.9555 -15.9555 -15.8652 -15.8652 -12.2042 -12.2042 -11.1162 -11.1162 -0.0513 -0.0513 0.3929 0.3929 1.6061 1.6061 1.7757 1.7757 3.2744 3.2744 3.3895 3.3895 4.0154 4.0154 4.0769 4.0769 4.4146 4.4146 5.4029 5.4029 7.5842 7.5842 12.7701 12.7701 14.5715 14.5715 14.8524 14.8524 k = 0.5017 0.2170-0.1782 ( 2839 PWs) bands (ev): -44.0477 -44.0477 -16.1325 -16.1325 -15.9556 -15.9556 -15.8652 -15.8652 -12.2024 -12.2024 -11.1168 -11.1168 -0.0569 -0.0569 0.3924 0.3924 1.6047 1.6047 1.7713 1.7713 3.2735 3.2735 3.3891 3.3891 4.0317 4.0317 4.0811 4.0811 4.4199 4.4199 5.3958 5.3958 7.5817 7.5817 12.7770 12.7770 14.5146 14.5146 14.8512 14.8512 k = 0.5016 0.2170-0.1674 ( 2844 PWs) bands (ev): -44.0477 -44.0477 -16.1329 -16.1329 -15.9557 -15.9557 -15.8652 -15.8652 -12.2006 -12.2006 -11.1175 -11.1175 -0.0625 -0.0625 0.3919 0.3919 1.6036 1.6036 1.7663 1.7663 3.2725 3.2725 3.3886 3.3886 4.0474 4.0474 4.0873 4.0873 4.4250 4.4250 5.3878 5.3878 7.5790 7.5790 12.7845 12.7845 14.4599 14.4599 14.8505 14.8505 k = 0.5015 0.2170-0.1566 ( 2848 PWs) bands (ev): -44.0477 -44.0477 -16.1333 -16.1333 -15.9559 -15.9559 -15.8652 -15.8652 -12.1988 -12.1988 -11.1183 -11.1183 -0.0681 -0.0681 0.3914 0.3914 1.6029 1.6029 1.7607 1.7607 3.2715 3.2715 3.3883 3.3883 4.0604 4.0604 4.0973 4.0973 4.4298 4.4298 5.3791 5.3791 7.5763 7.5763 12.7926 12.7926 14.4075 14.4075 14.8501 14.8501 k = 0.5014 0.2169-0.1458 ( 2846 PWs) bands (ev): -44.0477 -44.0477 -16.1336 -16.1336 -15.9560 -15.9560 -15.8652 -15.8652 -12.1969 -12.1969 -11.1190 -11.1190 -0.0737 -0.0737 0.3909 0.3909 1.6025 1.6025 1.7546 1.7546 3.2705 3.2705 3.3879 3.3879 4.0692 4.0692 4.1126 4.1126 4.4345 4.4345 5.3695 5.3695 7.5736 7.5736 12.8012 12.8012 14.3575 14.3575 14.8499 14.8499 k = 0.5013 0.2169-0.1350 ( 2851 PWs) bands (ev): -44.0477 -44.0477 -16.1340 -16.1340 -15.9561 -15.9561 -15.8652 -15.8652 -12.1951 -12.1951 -11.1197 -11.1197 -0.0791 -0.0791 0.3904 0.3904 1.6026 1.6026 1.7480 1.7480 3.2695 3.2695 3.3875 3.3875 4.0748 4.0748 4.1318 4.1318 4.4388 4.4388 5.3592 5.3592 7.5710 7.5710 12.8104 12.8104 14.3102 14.3102 14.8498 14.8498 k = 0.5012 0.2168-0.1241 ( 2847 PWs) bands (ev): -44.0477 -44.0477 -16.1343 -16.1343 -15.9562 -15.9562 -15.8652 -15.8652 -12.1933 -12.1933 -11.1204 -11.1204 -0.0844 -0.0844 0.3899 0.3899 1.6031 1.6031 1.7410 1.7410 3.2685 3.2685 3.3872 3.3872 4.0787 4.0787 4.1531 4.1531 4.4427 4.4427 5.3484 5.3484 7.5684 7.5684 12.8200 12.8200 14.2656 14.2656 14.8499 14.8499 k = 0.5011 0.2168-0.1133 ( 2850 PWs) bands (ev): -44.0477 -44.0477 -16.1346 -16.1346 -15.9564 -15.9564 -15.8653 -15.8653 -12.1916 -12.1916 -11.1211 -11.1211 -0.0894 -0.0894 0.3895 0.3895 1.6041 1.6041 1.7337 1.7337 3.2676 3.2676 3.3869 3.3869 4.0818 4.0818 4.1755 4.1755 4.4462 4.4462 5.3370 5.3370 7.5659 7.5659 12.8299 12.8299 14.2237 14.2237 14.8499 14.8499 k = 0.5010 0.2167-0.1025 ( 2854 PWs) bands (ev): -44.0477 -44.0477 -16.1349 -16.1349 -15.9565 -15.9565 -15.8653 -15.8653 -12.1900 -12.1900 -11.1218 -11.1218 -0.0942 -0.0942 0.3890 0.3890 1.6056 1.6056 1.7261 1.7261 3.2668 3.2668 3.3866 3.3866 4.0845 4.0845 4.1984 4.1984 4.4492 4.4492 5.3252 5.3252 7.5635 7.5635 12.8400 12.8400 14.1847 14.1847 14.8501 14.8501 k = 0.5009 0.2167-0.0917 ( 2854 PWs) bands (ev): -44.0477 -44.0477 -16.1352 -16.1352 -15.9566 -15.9566 -15.8653 -15.8653 -12.1884 -12.1884 -11.1224 -11.1224 -0.0987 -0.0987 0.3886 0.3886 1.6075 1.6075 1.7183 1.7183 3.2660 3.2660 3.3863 3.3863 4.0868 4.0868 4.2211 4.2211 4.4518 4.4518 5.3133 5.3133 7.5613 7.5613 12.8501 12.8501 14.1487 14.1487 14.8502 14.8502 k = 0.5008 0.2166-0.0809 ( 2858 PWs) bands (ev): -44.0478 -44.0478 -16.1355 -16.1355 -15.9567 -15.9567 -15.8653 -15.8653 -12.1870 -12.1870 -11.1230 -11.1230 -0.1028 -0.1028 0.3883 0.3883 1.6099 1.6099 1.7105 1.7105 3.2652 3.2652 3.3861 3.3861 4.0888 4.0888 4.2435 4.2435 4.4538 4.4538 5.3015 5.3015 7.5592 7.5592 12.8600 12.8600 14.1159 14.1159 14.8504 14.8504 k = 0.5007 0.2166-0.0701 ( 2857 PWs) bands (ev): -44.0478 -44.0478 -16.1358 -16.1358 -15.9568 -15.9568 -15.8653 -15.8653 -12.1857 -12.1857 -11.1235 -11.1235 -0.1065 -0.1065 0.3879 0.3879 1.6127 1.6127 1.7026 1.7026 3.2646 3.2646 3.3859 3.3859 4.0905 4.0905 4.2649 4.2649 4.4552 4.4552 5.2900 5.2900 7.5574 7.5574 12.8695 12.8695 14.0863 14.0863 14.8505 14.8505 k = 0.5006 0.2166-0.0593 ( 2858 PWs) bands (ev): -44.0478 -44.0478 -16.1360 -16.1360 -15.9569 -15.9569 -15.8653 -15.8653 -12.1845 -12.1845 -11.1240 -11.1240 -0.1097 -0.1097 0.3876 0.3876 1.6160 1.6160 1.6947 1.6947 3.2640 3.2640 3.3857 3.3857 4.0921 4.0921 4.2851 4.2851 4.4560 4.4560 5.2792 5.2792 7.5557 7.5557 12.8784 12.8784 14.0602 14.0602 14.8507 14.8507 k = 0.5005 0.2165-0.0485 ( 2858 PWs) bands (ev): -44.0478 -44.0478 -16.1362 -16.1362 -15.9570 -15.9570 -15.8653 -15.8653 -12.1835 -12.1835 -11.1244 -11.1244 -0.1125 -0.1125 0.3874 0.3874 1.6197 1.6197 1.6871 1.6871 3.2635 3.2635 3.3856 3.3856 4.0934 4.0934 4.3035 4.3035 4.4562 4.4562 5.2692 5.2692 7.5543 7.5543 12.8865 12.8865 14.0376 14.0376 14.8508 14.8508 k = 0.5004 0.2165-0.0377 ( 2857 PWs) bands (ev): -44.0478 -44.0478 -16.1363 -16.1363 -15.9570 -15.9570 -15.8653 -15.8653 -12.1826 -12.1826 -11.1247 -11.1247 -0.1149 -0.1149 0.3871 0.3871 1.6238 1.6238 1.6797 1.6797 3.2631 3.2631 3.3855 3.3855 4.0945 4.0945 4.3197 4.3197 4.4560 4.4560 5.2606 5.2606 7.5531 7.5531 12.8935 12.8935 14.0189 14.0189 14.8510 14.8510 k = 0.5003 0.2164-0.0268 ( 2862 PWs) bands (ev): -44.0478 -44.0478 -16.1365 -16.1365 -15.9571 -15.9571 -15.8653 -15.8653 -12.1820 -12.1820 -11.1250 -11.1250 -0.1167 -0.1167 0.3870 0.3870 1.6281 1.6281 1.6727 1.6727 3.2628 3.2628 3.3854 3.3854 4.0953 4.0953 4.3332 4.3332 4.4553 4.4553 5.2535 5.2535 7.5521 7.5521 12.8992 12.8992 14.0041 14.0041 14.8511 14.8511 k = 0.5002 0.2164-0.0160 ( 2860 PWs) bands (ev): -44.0478 -44.0478 -16.1366 -16.1366 -15.9571 -15.9571 -15.8653 -15.8653 -12.1815 -12.1815 -11.1252 -11.1252 -0.1180 -0.1180 0.3869 0.3869 1.6324 1.6324 1.6665 1.6665 3.2626 3.2626 3.3853 3.3853 4.0959 4.0959 4.3435 4.3435 4.4545 4.4545 5.2482 5.2482 7.5514 7.5514 12.9034 12.9034 13.9935 13.9935 14.8511 14.8511 k = 0.5001 0.2163-0.0052 ( 2860 PWs) bands (ev): -44.0478 -44.0478 -16.1366 -16.1366 -15.9571 -15.9571 -15.8653 -15.8653 -12.1812 -12.1812 -11.1253 -11.1253 -0.1188 -0.1188 0.3868 0.3868 1.6360 1.6360 1.6618 1.6618 3.2624 3.2624 3.3853 3.3853 4.0963 4.0963 4.3499 4.3499 4.4538 4.4538 5.2449 5.2449 7.5510 7.5510 12.9060 12.9060 13.9870 13.9870 14.8512 14.8512 k = 0.5000 0.2163 0.0056 ( 2860 PWs) bands (ev): -44.0478 -44.0478 -16.1366 -16.1366 -15.9571 -15.9571 -15.8653 -15.8653 -12.1811 -12.1811 -11.1254 -11.1254 -0.1191 -0.1191 0.3867 0.3867 1.6376 1.6376 1.6598 1.6598 3.2624 3.2624 3.3853 3.3853 4.0964 4.0964 4.3521 4.3521 4.4536 4.4536 5.2438 5.2438 7.5509 7.5509 12.9069 12.9069 13.9848 13.9848 14.8512 14.8512 k = 0.5000 0.2163 0.0056 ( 2860 PWs) bands (ev): -44.0478 -44.0478 -16.1366 -16.1366 -15.9571 -15.9571 -15.8653 -15.8653 -12.1811 -12.1811 -11.1254 -11.1254 -0.1191 -0.1191 0.3867 0.3867 1.6376 1.6376 1.6598 1.6598 3.2624 3.2624 3.3853 3.3853 4.0964 4.0964 4.3521 4.3521 4.4536 4.4536 5.2438 5.2438 7.5509 7.5509 12.9069 12.9069 13.9848 13.9848 14.8512 14.8512 k = 0.5043 0.2063 0.0056 ( 2858 PWs) bands (ev): -44.0477 -44.0477 -16.1366 -16.1366 -15.9571 -15.9571 -15.8655 -15.8655 -12.1806 -12.1806 -11.1253 -11.1253 -0.1181 -0.1181 0.3867 0.3867 1.6382 1.6382 1.6597 1.6597 3.2594 3.2594 3.3858 3.3858 4.0966 4.0966 4.3525 4.3525 4.4535 4.4535 5.2436 5.2436 7.5485 7.5485 12.9074 12.9074 13.9872 13.9872 14.8523 14.8523 k = 0.5086 0.1963 0.0056 ( 2858 PWs) bands (ev): -44.0477 -44.0477 -16.1364 -16.1364 -15.9570 -15.9570 -15.8661 -15.8661 -12.1790 -12.1790 -11.1250 -11.1250 -0.1151 -0.1151 0.3865 0.3865 1.6400 1.6400 1.6592 1.6592 3.2502 3.2502 3.3876 3.3876 4.0973 4.0973 4.3534 4.3534 4.4534 4.4534 5.2432 5.2432 7.5415 7.5415 12.9089 12.9089 13.9944 13.9944 14.8556 14.8556 k = 0.5130 0.1863 0.0056 ( 2854 PWs) bands (ev): -44.0475 -44.0475 -16.1362 -16.1362 -15.9569 -15.9569 -15.8669 -15.8669 -12.1764 -12.1764 -11.1247 -11.1247 -0.1101 -0.1101 0.3863 0.3863 1.6429 1.6429 1.6586 1.6586 3.2347 3.2347 3.3911 3.3911 4.0984 4.0984 4.3550 4.3550 4.4530 4.4530 5.2424 5.2424 7.5298 7.5298 12.9114 12.9114 14.0064 14.0064 14.8611 14.8611 k = 0.5173 0.1763 0.0056 ( 2856 PWs) bands (ev): -44.0474 -44.0474 -16.1359 -16.1359 -15.9568 -15.9568 -15.8682 -15.8682 -12.1728 -12.1728 -11.1241 -11.1241 -0.1031 -0.1031 0.3859 0.3859 1.6463 1.6463 1.6583 1.6583 3.2126 3.2126 3.3965 3.3965 4.0997 4.0997 4.3571 4.3571 4.4525 4.4525 5.2413 5.2413 7.5136 7.5136 12.9149 12.9149 14.0230 14.0230 14.8689 14.8689 k = 0.5216 0.1663 0.0056 ( 2856 PWs) bands (ev): -44.0472 -44.0472 -16.1355 -16.1355 -15.9567 -15.9567 -15.8699 -15.8699 -12.1681 -12.1681 -11.1234 -11.1234 -0.0942 -0.0942 0.3855 0.3855 1.6489 1.6489 1.6599 1.6599 3.1841 3.1841 3.4040 3.4040 4.1013 4.1013 4.3596 4.3596 4.4517 4.4517 5.2398 5.2398 7.4932 7.4932 12.9193 12.9193 14.0442 14.0442 14.8789 14.8789 k = 0.5259 0.1564 0.0056 ( 2854 PWs) bands (ev): -44.0470 -44.0470 -16.1350 -16.1350 -15.9565 -15.9565 -15.8718 -15.8718 -12.1624 -12.1624 -11.1226 -11.1226 -0.0833 -0.0833 0.3851 0.3851 1.6488 1.6488 1.6649 1.6649 3.1493 3.1493 3.4137 3.4137 4.1031 4.1031 4.3624 4.3624 4.4506 4.4506 5.2380 5.2380 7.4688 7.4688 12.9246 12.9246 14.0698 14.0698 14.8911 14.8911 k = 0.5302 0.1464 0.0056 ( 2850 PWs) bands (ev): -44.0467 -44.0467 -16.1344 -16.1344 -15.9563 -15.9563 -15.8741 -15.8741 -12.1557 -12.1557 -11.1216 -11.1216 -0.0704 -0.0704 0.3847 0.3847 1.6469 1.6469 1.6727 1.6727 3.1087 3.1087 3.4256 3.4256 4.1049 4.1049 4.3654 4.3654 4.4491 4.4491 5.2358 5.2358 7.4407 7.4407 12.9307 12.9307 14.0997 14.0997 14.9056 14.9056 k = 0.5346 0.1364 0.0056 ( 2844 PWs) bands (ev): -44.0463 -44.0463 -16.1338 -16.1338 -15.9562 -15.9562 -15.8766 -15.8766 -12.1480 -12.1480 -11.1204 -11.1204 -0.0556 -0.0556 0.3845 0.3845 1.6441 1.6441 1.6822 1.6822 3.0626 3.0626 3.4397 3.4397 4.1066 4.1066 4.3682 4.3682 4.4472 4.4472 5.2332 5.2332 7.4092 7.4092 12.9376 12.9376 14.1337 14.1337 14.9224 14.9224 k = 0.5389 0.1264 0.0056 ( 2848 PWs) bands (ev): -44.0460 -44.0460 -16.1332 -16.1332 -15.9560 -15.9560 -15.8794 -15.8794 -12.1393 -12.1393 -11.1192 -11.1192 -0.0388 -0.0388 0.3844 0.3844 1.6408 1.6408 1.6932 1.6932 3.0114 3.0114 3.4557 3.4557 4.1083 4.1083 4.3706 4.3706 4.4447 4.4447 5.2301 5.2301 7.3747 7.3747 12.9451 12.9451 14.1715 14.1715 14.9415 14.9415 k = 0.5432 0.1164 0.0056 ( 2848 PWs) bands (ev): -44.0456 -44.0456 -16.1325 -16.1325 -15.9559 -15.9559 -15.8824 -15.8824 -12.1296 -12.1296 -11.1178 -11.1178 -0.0202 -0.0202 0.3845 0.3845 1.6370 1.6370 1.7055 1.7055 2.9555 2.9555 3.4738 3.4738 4.1098 4.1098 4.3726 4.3726 4.4416 4.4416 5.2266 5.2266 7.3377 7.3377 12.9533 12.9533 14.2130 14.2130 14.9630 14.9630 k = 0.5475 0.1064 0.0056 ( 2844 PWs) bands (ev): -44.0451 -44.0451 -16.1318 -16.1318 -15.9559 -15.9559 -15.8856 -15.8856 -12.1191 -12.1191 -11.1162 -11.1162 0.0003 0.0003 0.3850 0.3850 1.6328 1.6328 1.7191 1.7191 2.8953 2.8953 3.4937 3.4937 4.1111 4.1111 4.3736 4.3736 4.4378 4.4378 5.2227 5.2227 7.2987 7.2987 12.9620 12.9620 14.2579 14.2579 14.9868 14.9868 k = 0.5519 0.0964 0.0056 ( 2844 PWs) bands (ev): -44.0447 -44.0447 -16.1311 -16.1311 -15.9559 -15.9559 -15.8889 -15.8889 -12.1076 -12.1076 -11.1146 -11.1146 0.0227 0.0227 0.3858 0.3858 1.6282 1.6282 1.7340 1.7340 2.8311 2.8311 3.5153 3.5153 4.1123 4.1123 4.3735 4.3735 4.4334 4.4334 5.2182 5.2182 7.2580 7.2580 12.9712 12.9712 14.3060 14.3060 15.0130 15.0130 k = 0.5562 0.0864 0.0056 ( 2842 PWs) bands (ev): -44.0441 -44.0441 -16.1304 -16.1304 -15.9560 -15.9560 -15.8922 -15.8922 -12.0952 -12.0952 -11.1129 -11.1129 0.0468 0.0468 0.3871 0.3871 1.6232 1.6232 1.7502 1.7502 2.7634 2.7634 3.5387 3.5387 4.1131 4.1131 4.3718 4.3718 4.4283 4.4283 5.2132 5.2132 7.2164 7.2164 12.9807 12.9807 14.3570 14.3570 15.0416 15.0416 k = 0.5605 0.0764 0.0056 ( 2846 PWs) bands (ev): -44.0436 -44.0436 -16.1297 -16.1297 -15.9564 -15.9564 -15.8956 -15.8956 -12.0819 -12.0819 -11.1110 -11.1110 0.0727 0.0727 0.3889 0.3889 1.6179 1.6179 1.7675 1.7675 2.6925 2.6925 3.5637 3.5637 4.1137 4.1137 4.3684 4.3684 4.4225 4.4225 5.2077 5.2077 7.1742 7.1742 12.9905 12.9905 14.4106 14.4106 15.0726 15.0726 k = 0.5648 0.0665 0.0056 ( 2848 PWs) bands (ev): -44.0430 -44.0430 -16.1291 -16.1291 -15.9569 -15.9569 -15.8989 -15.8989 -12.0678 -12.0678 -11.1091 -11.1091 0.1003 0.1003 0.3914 0.3914 1.6124 1.6124 1.7860 1.7860 2.6187 2.6187 3.5901 3.5901 4.1141 4.1141 4.3628 4.3628 4.4158 4.4158 5.2017 5.2017 7.1320 7.1320 13.0005 13.0005 14.4666 14.4666 15.1061 15.1061 k = 0.5691 0.0565 0.0056 ( 2846 PWs) bands (ev): -44.0424 -44.0424 -16.1286 -16.1286 -15.9577 -15.9577 -15.9020 -15.9020 -12.0529 -12.0529 -11.1070 -11.1070 0.1295 0.1295 0.3947 0.3947 1.6065 1.6065 1.8057 1.8057 2.5424 2.5424 3.6179 3.6179 4.1141 4.1141 4.3550 4.3550 4.4083 4.4083 5.1951 5.1951 7.0905 7.0905 13.0107 13.0107 14.5248 14.5248 15.1420 15.1420 k = 0.5735 0.0465 0.0056 ( 2848 PWs) bands (ev): -44.0418 -44.0418 -16.1281 -16.1281 -15.9587 -15.9587 -15.9049 -15.9049 -12.0373 -12.0373 -11.1050 -11.1050 0.1602 0.1602 0.3989 0.3989 1.6005 1.6005 1.8264 1.8264 2.4639 2.4639 3.6467 3.6467 4.1138 4.1138 4.3448 4.3448 4.3997 4.3997 5.1879 5.1879 7.0501 7.0501 13.0210 13.0210 14.5849 14.5849 15.1804 15.1804 k = 0.5778 0.0365 0.0056 ( 2852 PWs) bands (ev): -44.0411 -44.0411 -16.1279 -16.1279 -15.9602 -15.9602 -15.9074 -15.9074 -12.0209 -12.0209 -11.1028 -11.1028 0.1924 0.1924 0.4041 0.4041 1.5942 1.5942 1.8480 1.8480 2.3837 2.3837 3.6763 3.6763 4.1132 4.1132 4.3321 4.3321 4.3900 4.3900 5.1802 5.1802 7.0113 7.0113 13.0313 13.0313 14.6466 14.6466 15.2213 15.2213 k = 0.5821 0.0265 0.0056 ( 2856 PWs) bands (ev): -44.0405 -44.0405 -16.1277 -16.1277 -15.9620 -15.9620 -15.9095 -15.9095 -12.0038 -12.0038 -11.1006 -11.1006 0.2258 0.2258 0.4105 0.4105 1.5879 1.5879 1.8704 1.8704 2.3022 2.3022 3.7063 3.7063 4.1123 4.1123 4.3169 4.3169 4.3792 4.3792 5.1720 5.1720 6.9747 6.9747 13.0416 13.0416 14.7096 14.7096 15.2646 15.2646 k = 0.5864 0.0165 0.0056 ( 2858 PWs) bands (ev): -44.0398 -44.0398 -16.1278 -16.1278 -15.9641 -15.9641 -15.9112 -15.9112 -11.9860 -11.9860 -11.0983 -11.0983 0.2601 0.2601 0.4185 0.4185 1.5813 1.5813 1.8933 1.8933 2.2201 2.2201 3.7363 3.7363 4.1109 4.1109 4.2994 4.2994 4.3674 4.3674 5.1631 5.1631 6.9407 6.9407 13.0518 13.0518 14.7739 14.7739 15.3103 15.3103 k = 0.5907 0.0065 0.0056 ( 2858 PWs) bands (ev): -44.0390 -44.0390 -16.1282 -16.1282 -15.9665 -15.9665 -15.9124 -15.9124 -11.9676 -11.9676 -11.0960 -11.0960 0.2949 0.2949 0.4286 0.4286 1.5747 1.5747 1.9155 1.9155 2.1387 2.1387 3.7655 3.7655 4.1090 4.1090 4.2797 4.2797 4.3545 4.3545 5.1538 5.1538 6.9096 6.9096 13.0619 13.0619 14.8390 14.8390 15.3584 15.3584 k = 0.5951-0.0035 0.0056 ( 2860 PWs) bands (ev): -44.0383 -44.0383 -16.1288 -16.1288 -15.9691 -15.9691 -15.9132 -15.9132 -11.9487 -11.9487 -11.0937 -11.0937 0.3294 0.3294 0.4413 0.4413 1.5681 1.5681 1.9328 1.9328 2.0627 2.0627 3.7929 3.7929 4.1064 4.1064 4.2586 4.2586 4.3411 4.3411 5.1439 5.1439 6.8819 6.8819 13.0719 13.0719 14.9049 14.9049 15.4089 15.4089 k = 0.5994-0.0135 0.0056 ( 2856 PWs) bands (ev): -44.0375 -44.0375 -16.1297 -16.1297 -15.9719 -15.9719 -15.9137 -15.9137 -11.9293 -11.9293 -11.0914 -11.0914 0.3625 0.3625 0.4579 0.4579 1.5614 1.5614 1.9208 1.9208 2.0166 2.0166 3.8168 3.8168 4.1030 4.1030 4.2373 4.2373 4.3274 4.3274 5.1335 5.1335 6.8577 6.8577 13.0817 13.0817 14.9713 14.9713 15.4618 15.4618 k = 0.6037-0.0234 0.0056 ( 2854 PWs) bands (ev): -44.0367 -44.0367 -16.1309 -16.1309 -15.9747 -15.9747 -15.9137 -15.9137 -11.9094 -11.9094 -11.0891 -11.0891 0.3924 0.3924 0.4800 0.4800 1.5548 1.5548 1.8573 1.8573 2.0231 2.0231 3.8349 3.8349 4.0985 4.0985 4.2172 4.2172 4.3143 4.3143 5.1225 5.1225 6.8372 6.8372 13.0913 13.0913 15.0380 15.0380 15.5169 15.5169 k = 0.6080-0.0334 0.0056 ( 2852 PWs) bands (ev): -44.0360 -44.0360 -16.1326 -16.1326 -15.9774 -15.9774 -15.9135 -15.9135 -11.8890 -11.8890 -11.0868 -11.0868 0.4180 0.4180 0.5085 0.5085 1.5481 1.5481 1.7781 1.7781 2.0468 2.0468 3.8440 3.8440 4.0931 4.0931 4.2002 4.2002 4.3030 4.3030 5.1111 5.1111 6.8204 6.8204 13.1007 13.1007 15.1049 15.1049 15.5742 15.5742 k = 0.6123-0.0434 0.0056 ( 2844 PWs) bands (ev): -44.0352 -44.0352 -16.1346 -16.1346 -15.9800 -15.9800 -15.9130 -15.9130 -11.8684 -11.8684 -11.0845 -11.0845 0.4400 0.4400 0.5427 0.5427 1.5412 1.5412 1.6966 1.6966 2.0748 2.0748 3.8408 3.8408 4.0874 4.0874 4.1866 4.1866 4.2957 4.2957 5.0992 5.0992 6.8074 6.8074 13.1100 13.1100 15.1719 15.1719 15.6337 15.6337 k = 0.6167-0.0534 0.0056 ( 2846 PWs) bands (ev): -44.0344 -44.0344 -16.1371 -16.1371 -15.9824 -15.9824 -15.9124 -15.9124 -11.8474 -11.8474 -11.0822 -11.0822 0.4600 0.4600 0.5806 0.5806 1.5335 1.5335 1.6164 1.6164 2.1049 2.1049 3.8232 3.8232 4.0824 4.0824 4.1748 4.1748 4.2954 4.2954 5.0869 5.0869 6.7981 6.7981 13.1191 13.1191 15.2387 15.2387 15.6951 15.6951 k = 0.6210-0.0634 0.0056 ( 2846 PWs) bands (ev): -44.0335 -44.0335 -16.1400 -16.1400 -15.9846 -15.9846 -15.9115 -15.9115 -11.8262 -11.8262 -11.0800 -11.0800 0.4793 0.4793 0.6203 0.6203 1.5150 1.5150 1.5488 1.5488 2.1363 2.1363 3.7914 3.7914 4.0781 4.0781 4.1615 4.1615 4.3049 4.3049 5.0742 5.0742 6.7922 6.7922 13.1281 13.1281 15.3053 15.3053 15.7584 15.7584 k = 0.6253-0.0734 0.0056 ( 2850 PWs) bands (ev): -44.0328 -44.0328 -16.1434 -16.1434 -15.9865 -15.9865 -15.9106 -15.9106 -11.8048 -11.8048 -11.0779 -11.0779 0.4988 0.4988 0.6602 0.6602 1.4512 1.4512 1.5295 1.5295 2.1687 2.1687 3.7477 3.7477 4.0741 4.0741 4.1451 4.1451 4.3244 4.3244 5.0610 5.0610 6.7896 6.7896 13.1369 13.1369 15.3717 15.3717 15.8235 15.8235 k = 0.6296-0.0834 0.0056 ( 2852 PWs) bands (ev): -44.0319 -44.0319 -16.1472 -16.1472 -15.9880 -15.9880 -15.9095 -15.9095 -11.7833 -11.7833 -11.0758 -11.0758 0.5191 0.5191 0.6984 0.6984 1.3800 1.3800 1.5225 1.5225 2.2021 2.2021 3.6947 3.6947 4.0695 4.0695 4.1256 4.1256 4.3523 4.3523 5.0476 5.0476 6.7901 6.7901 13.1457 13.1457 15.4375 15.4375 15.8901 15.8901 k = 0.6340-0.0934 0.0056 ( 2852 PWs) bands (ev): -44.0311 -44.0311 -16.1514 -16.1514 -15.9892 -15.9892 -15.9083 -15.9083 -11.7617 -11.7617 -11.0737 -11.0737 0.5404 0.5404 0.7326 0.7326 1.3144 1.3144 1.5170 1.5170 2.2362 2.2362 3.6344 3.6344 4.0634 4.0634 4.1040 4.1040 4.3865 4.3865 5.0338 5.0338 6.7933 6.7933 13.1545 13.1545 15.5030 15.5030 15.9582 15.9582 k = 0.6383-0.1034 0.0056 ( 2854 PWs) bands (ev): -44.0304 -44.0304 -16.1559 -16.1559 -15.9901 -15.9901 -15.9071 -15.9071 -11.7402 -11.7402 -11.0718 -11.0718 0.5627 0.5627 0.7592 0.7592 1.2590 1.2590 1.5122 1.5122 2.2711 2.2711 3.5684 3.5684 4.0538 4.0538 4.0831 4.0831 4.4251 4.4251 5.0198 5.0198 6.7989 6.7989 13.1633 13.1633 15.5678 15.5678 16.0273 16.0273 k = 0.6426-0.1133 0.0056 ( 2858 PWs) bands (ev): -44.0296 -44.0296 -16.1607 -16.1607 -15.9907 -15.9907 -15.9058 -15.9058 -11.7187 -11.7187 -11.0700 -11.0700 0.5860 0.5860 0.7732 0.7732 1.2193 1.2193 1.5081 1.5081 2.3066 2.3066 3.4979 3.4979 4.0361 4.0361 4.0677 4.0677 4.4668 4.4668 5.0055 5.0055 6.8067 6.8067 13.1722 13.1722 15.6320 15.6320 16.0974 16.0974 k = 0.6469-0.1233 0.0056 ( 2858 PWs) bands (ev): -44.0288 -44.0288 -16.1658 -16.1658 -15.9910 -15.9910 -15.9045 -15.9045 -11.6974 -11.6974 -11.0683 -11.0683 0.6099 0.6099 0.7698 0.7698 1.2005 1.2005 1.5045 1.5045 2.3426 2.3426 3.4238 3.4238 4.0104 4.0104 4.0578 4.0578 4.5108 4.5108 4.9911 4.9911 6.8162 6.8162 13.1812 13.1812 15.6955 15.6955 16.1680 16.1680 k = 0.6512-0.1333 0.0056 ( 2856 PWs) bands (ev): -44.0280 -44.0280 -16.1710 -16.1710 -15.9909 -15.9909 -15.9031 -15.9031 -11.6763 -11.6763 -11.0666 -11.0666 0.6327 0.6327 0.7495 0.7495 1.2042 1.2042 1.5016 1.5016 2.3791 2.3791 3.3467 3.3467 3.9808 3.9808 4.0496 4.0496 4.5563 4.5563 4.9766 4.9766 6.8271 6.8271 13.1906 13.1906 15.7581 15.7581 16.2389 16.2389 k = 0.6556-0.1433 0.0056 ( 2854 PWs) bands (ev): -44.0273 -44.0273 -16.1764 -16.1764 -15.9907 -15.9907 -15.9017 -15.9017 -11.6556 -11.6556 -11.0652 -11.0652 0.6462 0.6462 0.7240 0.7240 1.2266 1.2266 1.4994 1.4994 2.4159 2.4159 3.2672 3.2672 3.9490 3.9490 4.0417 4.0417 4.6029 4.6029 4.9621 4.9621 6.8392 6.8392 13.2003 13.2003 15.8197 15.8197 16.3094 16.3094 k = 0.6599-0.1533 0.0056 ( 2856 PWs) bands (ev): -44.0266 -44.0266 -16.1820 -16.1820 -15.9903 -15.9903 -15.9003 -15.9003 -11.6352 -11.6352 -11.0638 -11.0638 0.6263 0.6263 0.7236 0.7236 1.2618 1.2618 1.4980 1.4980 2.4531 2.4531 3.1858 3.1858 3.9154 3.9154 4.0336 4.0336 4.6500 4.6500 4.9477 4.9477 6.8520 6.8520 13.2103 13.2103 15.8800 15.8800 16.3792 16.3792 k = 0.6642-0.1633 0.0056 ( 2854 PWs) bands (ev): -44.0259 -44.0259 -16.1875 -16.1875 -15.9896 -15.9896 -15.8989 -15.8989 -11.6152 -11.6152 -11.0626 -11.0626 0.5789 0.5789 0.7470 0.7470 1.3051 1.3051 1.4977 1.4977 2.4904 2.4904 3.1030 3.1030 3.8804 3.8804 4.0250 4.0250 4.6974 4.6974 4.9336 4.9336 6.8653 6.8653 13.2210 13.2210 15.9384 15.9384 16.4475 16.4475 k = 0.6685-0.1733 0.0056 ( 2856 PWs) bands (ev): -44.0252 -44.0252 -16.1931 -16.1931 -15.9889 -15.9889 -15.8975 -15.8975 -11.5958 -11.5958 -11.0616 -11.0616 0.5234 0.5234 0.7778 0.7778 1.3531 1.3531 1.4988 1.4988 2.5279 2.5279 3.0191 3.0191 3.8440 3.8440 4.0161 4.0161 4.7444 4.7444 4.9202 4.9202 6.8789 6.8789 13.2322 13.2322 15.9935 15.9935 16.5117 16.5117 k = 0.6728-0.1833 0.0056 ( 2866 PWs) bands (ev): -44.0245 -44.0245 -16.1988 -16.1988 -15.9880 -15.9880 -15.8961 -15.8961 -11.5770 -11.5770 -11.0607 -11.0607 0.4657 0.4657 0.8119 0.8119 1.4026 1.4026 1.5028 1.5028 2.5652 2.5652 2.9345 2.9345 3.8064 3.8064 4.0066 4.0066 4.7900 4.7900 4.9083 4.9083 6.8923 6.8923 13.2441 13.2441 16.0423 16.0423 16.4443 16.4443 k = 0.6772-0.1933 0.0056 ( 2864 PWs) bands (ev): -44.0239 -44.0239 -16.2042 -16.2042 -15.9870 -15.9870 -15.8948 -15.8948 -11.5588 -11.5588 -11.0600 -11.0600 0.4081 0.4081 0.8483 0.8483 1.4477 1.4477 1.5145 1.5145 2.6021 2.6021 2.8498 2.8498 3.7678 3.7678 3.9967 3.9967 4.8305 4.8305 4.9015 4.9015 6.9055 6.9055 13.2569 13.2569 16.0764 16.0764 16.3739 16.3739 k = 0.6815-0.2032 0.0056 ( 2866 PWs) bands (ev): -44.0233 -44.0233 -16.2095 -16.2095 -15.9860 -15.9860 -15.8934 -15.8934 -11.5414 -11.5414 -11.0594 -11.0594 0.3518 0.3518 0.8865 0.8865 1.4756 1.4756 1.5460 1.5460 2.6374 2.6374 2.7663 2.7663 3.7281 3.7281 3.9862 3.9862 4.8515 4.8515 4.9141 4.9141 6.9181 6.9181 13.2707 13.2707 16.0769 16.0769 16.3370 16.3370 k = 0.6858-0.2132 0.0056 ( 2868 PWs) bands (ev): -44.0227 -44.0227 -16.2147 -16.2147 -15.9849 -15.9849 -15.8921 -15.8921 -11.5248 -11.5248 -11.0591 -11.0591 0.2973 0.2973 0.9263 0.9263 1.4874 1.4874 1.5956 1.5956 2.6539 2.6539 2.7014 2.7014 3.6875 3.6875 3.9754 3.9754 4.8487 4.8487 4.9502 4.9502 6.9299 6.9299 13.2854 13.2854 16.0319 16.0319 16.3460 16.3460 k = 0.6901-0.2232 0.0056 ( 2870 PWs) bands (ev): -44.0222 -44.0222 -16.2197 -16.2197 -15.9837 -15.9837 -15.8908 -15.8908 -11.5091 -11.5091 -11.0589 -11.0589 0.2452 0.2452 0.9676 0.9676 1.4947 1.4947 1.6514 1.6514 2.5864 2.5864 2.7204 2.7204 3.6462 3.6462 3.9641 3.9641 4.8388 4.8388 4.9931 4.9931 6.9407 6.9407 13.3013 13.3013 15.9584 15.9584 16.3840 16.3840 k = 0.6944-0.2332 0.0056 ( 2870 PWs) bands (ev): -44.0217 -44.0217 -16.2244 -16.2244 -15.9826 -15.9826 -15.8896 -15.8896 -11.4943 -11.4943 -11.0589 -11.0589 0.1958 0.1958 1.0102 1.0102 1.5016 1.5016 1.7093 1.7093 2.5035 2.5035 2.7547 2.7547 3.6042 3.6042 3.9525 3.9525 4.8275 4.8275 5.0370 5.0370 6.9503 6.9503 13.3184 13.3184 15.8733 15.8733 16.4343 16.4343 k = 0.6988-0.2432 0.0056 ( 2870 PWs) bands (ev): -44.0212 -44.0212 -16.2289 -16.2289 -15.9814 -15.9814 -15.8884 -15.8884 -11.4805 -11.4805 -11.0592 -11.0592 0.1494 0.1494 1.0537 1.0537 1.5091 1.5091 1.7678 1.7678 2.4201 2.4201 2.7896 2.7896 3.5618 3.5618 3.9405 3.9405 4.8161 4.8161 5.0805 5.0805 6.9586 6.9586 13.3369 13.3369 15.7838 15.7838 16.4900 16.4900 k = 0.7031-0.2532 0.0056 ( 2872 PWs) bands (ev): -44.0208 -44.0208 -16.2331 -16.2331 -15.9803 -15.9803 -15.8872 -15.8872 -11.4678 -11.4678 -11.0596 -11.0596 0.1061 0.1061 1.0979 1.0979 1.5180 1.5180 1.8261 1.8261 2.3373 2.3373 2.8241 2.8241 3.5191 3.5191 3.9284 3.9284 4.8051 4.8051 5.1231 5.1231 6.9653 6.9653 13.3568 13.3568 15.6925 15.6925 16.5485 16.5485 k = 0.7074-0.2632 0.0056 ( 2870 PWs) bands (ev): -44.0204 -44.0204 -16.2370 -16.2370 -15.9791 -15.9791 -15.8861 -15.8861 -11.4563 -11.4563 -11.0602 -11.0602 0.0663 0.0663 1.1423 1.1423 1.5286 1.5286 1.8839 1.8839 2.2557 2.2557 2.8578 2.8578 3.4764 3.4764 3.9160 3.9160 4.7946 4.7946 5.1646 5.1646 6.9703 6.9703 13.3782 13.3782 15.6006 15.6006 16.6088 16.6088 k = 0.7117-0.2732 0.0056 ( 2876 PWs) bands (ev): -44.0200 -44.0200 -16.2407 -16.2407 -15.9780 -15.9780 -15.8851 -15.8851 -11.4459 -11.4459 -11.0611 -11.0611 0.0300 0.0300 1.1863 1.1863 1.5415 1.5415 1.9404 1.9404 2.1757 2.1757 2.8903 2.8903 3.4340 3.4340 3.9037 3.9037 4.7849 4.7849 5.2046 5.2046 6.9736 6.9736 13.4012 13.4012 15.5089 15.5089 16.6703 16.6703 k = 0.7160-0.2832 0.0056 ( 2876 PWs) bands (ev): -44.0197 -44.0197 -16.2439 -16.2439 -15.9770 -15.9770 -15.8841 -15.8841 -11.4367 -11.4367 -11.0622 -11.0622 -0.0027 -0.0027 1.2292 1.2292 1.5570 1.5570 1.9951 1.9951 2.0980 2.0980 2.9216 2.9216 3.3923 3.3923 3.8914 3.8914 4.7760 4.7760 5.2430 5.2430 6.9750 6.9750 13.4258 13.4258 15.4176 15.4176 16.7326 16.7326 k = 0.7204-0.2931 0.0056 ( 2876 PWs) bands (ev): -44.0194 -44.0194 -16.2469 -16.2469 -15.9760 -15.9760 -15.8831 -15.8831 -11.4289 -11.4289 -11.0635 -11.0635 -0.0316 -0.0316 1.2699 1.2699 1.5755 1.5755 2.0206 2.0206 2.0501 2.0501 2.9513 2.9513 3.3516 3.3516 3.8793 3.8793 4.7681 4.7681 5.2797 5.2797 6.9744 6.9744 13.4521 13.4521 15.3269 15.3269 16.7796 16.7796 k = 0.2796-0.6464 0.3299 ( 2876 PWs) bands (ev): -44.0194 -44.0194 -16.2469 -16.2469 -15.9760 -15.9760 -15.8831 -15.8831 -11.4289 -11.4289 -11.0635 -11.0635 -0.0316 -0.0316 1.2699 1.2699 1.5755 1.5755 2.0206 2.0206 2.0501 2.0501 2.9513 2.9513 3.3516 3.3516 3.8793 3.8793 4.7681 4.7681 5.2797 5.2797 6.9744 6.9744 13.4521 13.4521 15.3269 15.3269 16.7796 16.7796 k = 0.2753-0.6363 0.3299 ( 2870 PWs) bands (ev): -44.0192 -44.0192 -16.2494 -16.2494 -15.9750 -15.9750 -15.8822 -15.8822 -11.4223 -11.4223 -11.0651 -11.0651 -0.0568 -0.0568 1.3077 1.3077 1.5970 1.5970 1.9506 1.9506 2.0990 2.0990 2.9796 2.9796 3.3122 3.3122 3.8675 3.8675 4.7612 4.7612 5.3148 5.3148 6.9716 6.9716 13.4803 13.4803 15.2360 15.2360 16.7452 16.7452 k = 0.2709-0.6262 0.3299 ( 2868 PWs) bands (ev): -44.0190 -44.0190 -16.2515 -16.2515 -15.9740 -15.9740 -15.8814 -15.8814 -11.4171 -11.4171 -11.0668 -11.0668 -0.0780 -0.0780 1.3409 1.3409 1.6193 1.6193 1.8872 1.8872 2.1453 2.1453 3.0060 3.0060 3.2751 3.2751 3.8563 3.8563 4.7555 4.7555 5.3479 5.3479 6.9667 6.9667 13.5103 13.5103 15.1459 15.1459 16.7025 16.7025 k = 0.2665-0.6161 0.3299 ( 2870 PWs) bands (ev): -44.0189 -44.0189 -16.2533 -16.2533 -15.9732 -15.9732 -15.8806 -15.8806 -11.4133 -11.4133 -11.0689 -11.0689 -0.0951 -0.0951 1.3682 1.3682 1.6354 1.6354 1.8399 1.8399 2.1868 2.1868 3.0304 3.0304 3.2412 3.2412 3.8460 3.8460 4.7511 4.7511 5.3787 5.3787 6.9595 6.9595 13.5418 13.5418 15.0568 15.0568 16.6551 16.6551 k = 0.2622-0.6060 0.3299 ( 2874 PWs) bands (ev): -44.0188 -44.0188 -16.2547 -16.2547 -15.9725 -15.9725 -15.8800 -15.8800 -11.4109 -11.4109 -11.0711 -11.0711 -0.1081 -0.1081 1.3882 1.3882 1.6314 1.6314 1.8242 1.8242 2.2223 2.2223 3.0526 3.0526 3.2113 3.2113 3.8366 3.8366 4.7481 4.7481 5.4072 5.4072 6.9501 6.9501 13.5749 13.5749 14.9686 14.9686 16.6044 16.6044 k = 0.2578-0.5959 0.3299 ( 2878 PWs) bands (ev): -44.0187 -44.0187 -16.2557 -16.2557 -15.9718 -15.9718 -15.8794 -15.8794 -11.4100 -11.4100 -11.0737 -11.0737 -0.1168 -0.1168 1.3980 1.3980 1.6054 1.6054 1.8448 1.8448 2.2505 2.2505 3.0726 3.0726 3.1863 3.1863 3.8285 3.8285 4.7466 4.7466 5.4333 5.4333 6.9384 6.9384 13.6093 13.6093 14.8814 14.8814 16.5518 16.5518 k = 0.2534-0.5858 0.3299 ( 2882 PWs) bands (ev): -44.0187 -44.0187 -16.2563 -16.2563 -15.9712 -15.9712 -15.8789 -15.8789 -11.4106 -11.4106 -11.0764 -11.0764 -0.1213 -0.1213 1.3923 1.3923 1.5769 1.5769 1.8877 1.8877 2.2704 2.2704 3.0905 3.0905 3.1670 3.1670 3.8218 3.8218 4.7466 4.7466 5.4569 5.4569 6.9244 6.9244 13.6449 13.6449 14.7951 14.7951 16.4985 16.4985 k = 0.2490-0.5757 0.3299 ( 2884 PWs) bands (ev): -44.0188 -44.0188 -16.2564 -16.2564 -15.9707 -15.9707 -15.8784 -15.8784 -11.4127 -11.4127 -11.0794 -11.0794 -0.1216 -0.1216 1.3663 1.3663 1.5614 1.5614 1.9422 1.9422 2.2809 2.2809 3.1056 3.1056 3.1548 3.1548 3.8169 3.8169 4.7482 4.7482 5.4778 5.4778 6.9082 6.9082 13.6814 13.6814 14.7099 14.7099 16.4456 16.4456 k = 0.2447-0.5656 0.3299 ( 2882 PWs) bands (ev): -44.0189 -44.0189 -16.2561 -16.2561 -15.9702 -15.9702 -15.8780 -15.8780 -11.4162 -11.4162 -11.0826 -11.0826 -0.1175 -0.1175 1.3233 1.3233 1.5603 1.5603 2.0034 2.0034 2.2816 2.2816 3.1143 3.1143 3.1534 3.1534 3.8137 3.8137 4.7516 4.7516 5.4960 5.4960 6.8898 6.8898 13.7185 13.7185 14.6255 14.6255 16.3941 16.3941 k = 0.2403-0.5555 0.3299 ( 2886 PWs) bands (ev): -44.0190 -44.0190 -16.2553 -16.2553 -15.9699 -15.9699 -15.8777 -15.8777 -11.4212 -11.4212 -11.0861 -11.0861 -0.1092 -0.1092 1.2711 1.2711 1.5680 1.5680 2.0693 2.0693 2.2726 2.2726 3.1136 3.1136 3.1656 3.1656 3.8125 3.8125 4.7566 4.7566 5.5115 5.5115 6.8693 6.8693 13.7557 13.7557 14.5421 14.5421 16.3449 16.3449 k = 0.2359-0.5454 0.3299 ( 2878 PWs) bands (ev): -44.0192 -44.0192 -16.2541 -16.2541 -15.9696 -15.9696 -15.8775 -15.8775 -11.4276 -11.4276 -11.0898 -11.0898 -0.0966 -0.0966 1.2152 1.2152 1.5802 1.5802 2.1385 2.1385 2.2545 2.2545 3.1081 3.1081 3.1861 3.1861 3.8133 3.8133 4.7635 4.7635 5.5241 5.5241 6.8467 6.8467 13.7925 13.7925 14.4596 14.4596 16.2992 16.2992 k = 0.2316-0.5353 0.3299 ( 2880 PWs) bands (ev): -44.0194 -44.0194 -16.2525 -16.2525 -15.9694 -15.9694 -15.8773 -15.8773 -11.4355 -11.4355 -11.0937 -11.0937 -0.0798 -0.0798 1.1582 1.1582 1.5949 1.5949 2.2080 2.2080 2.2309 2.2309 3.1004 3.1004 3.2112 3.2112 3.8162 3.8162 4.7721 4.7721 5.5338 5.5338 6.8222 6.8222 13.8283 13.8283 14.3779 14.3779 16.2579 16.2579 k = 0.2272-0.5252 0.3299 ( 2880 PWs) bands (ev): -44.0197 -44.0197 -16.2505 -16.2505 -15.9693 -15.9693 -15.8772 -15.8772 -11.4448 -11.4448 -11.0979 -11.0979 -0.0588 -0.0588 1.1015 1.1015 1.6112 1.6112 2.1937 2.1937 2.2865 2.2865 3.0906 3.0906 3.2395 3.2395 3.8213 3.8213 4.7825 4.7825 5.5407 5.5407 6.7958 6.7958 13.8625 13.8625 14.2970 14.2970 16.2218 16.2218 k = 0.2228-0.5151 0.3299 ( 2880 PWs) bands (ev): -44.0200 -44.0200 -16.2481 -16.2481 -15.9692 -15.9692 -15.8772 -15.8772 -11.4554 -11.4554 -11.1023 -11.1023 -0.0337 -0.0337 1.0457 1.0457 1.6286 1.6286 2.1552 2.1552 2.3625 2.3625 3.0786 3.0786 3.2698 3.2698 3.8285 3.8285 4.7946 4.7946 5.5447 5.5447 6.7677 6.7677 13.8943 13.8943 14.2170 14.2170 16.1921 16.1921 k = 0.2185-0.5050 0.3299 ( 2876 PWs) bands (ev): -44.0204 -44.0204 -16.2452 -16.2452 -15.9693 -15.9693 -15.8772 -15.8772 -11.4674 -11.4674 -11.1069 -11.1069 -0.0045 -0.0045 0.9914 0.9914 1.6469 1.6469 2.1119 2.1119 2.4404 2.4404 3.0644 3.0644 3.3011 3.3011 3.8381 3.8381 4.8085 4.8085 5.5457 5.5457 6.7380 6.7380 13.9228 13.9228 14.1377 14.1377 16.1698 16.1698 k = 0.2141-0.4949 0.3299 ( 2874 PWs) bands (ev): -44.0208 -44.0208 -16.2419 -16.2419 -15.9694 -15.9694 -15.8773 -15.8773 -11.4806 -11.4806 -11.1117 -11.1117 0.0288 0.0288 0.9387 0.9387 1.6660 1.6660 2.0650 2.0650 2.5197 2.5197 3.0482 3.0482 3.3324 3.3324 3.8499 3.8499 4.8239 4.8239 5.5438 5.5438 6.7069 6.7069 13.9473 13.9473 14.0591 14.0591 16.1557 16.1557 k = 0.2097-0.4848 0.3299 ( 2874 PWs) bands (ev): -44.0212 -44.0212 -16.2383 -16.2383 -15.9696 -15.9696 -15.8775 -15.8775 -11.4951 -11.4951 -11.1168 -11.1168 0.0660 0.0660 0.8878 0.8878 1.6857 1.6857 2.0153 2.0153 2.5999 2.5999 3.0301 3.0301 3.3627 3.3627 3.8643 3.8643 4.8410 4.8410 5.5390 5.5390 6.6747 6.6747 13.9668 13.9668 13.9812 13.9812 16.1507 16.1507 k = 0.2054-0.4747 0.3299 ( 2874 PWs) bands (ev): -44.0217 -44.0217 -16.2344 -16.2344 -15.9698 -15.9698 -15.8777 -15.8777 -11.5108 -11.5108 -11.1220 -11.1220 0.1071 0.1071 0.8388 0.8388 1.7059 1.7059 1.9638 1.9638 2.6807 2.6807 3.0105 3.0105 3.3913 3.3913 3.8812 3.8812 4.8595 4.8595 5.5315 5.5315 6.6414 6.6414 13.9038 13.9038 13.9808 13.9808 16.1557 16.1557 k = 0.2010-0.4646 0.3299 ( 2878 PWs) bands (ev): -44.0223 -44.0223 -16.2302 -16.2302 -15.9701 -15.9701 -15.8780 -15.8780 -11.5275 -11.5275 -11.1275 -11.1275 0.1519 0.1519 0.7919 0.7919 1.7260 1.7260 1.9113 1.9113 2.7616 2.7616 2.9897 2.9897 3.4174 3.4174 3.9007 3.9007 4.8794 4.8794 5.5211 5.5211 6.6073 6.6073 13.8271 13.8271 13.9885 13.9885 16.1711 16.1711 k = 0.1966-0.4545 0.3299 ( 2876 PWs) bands (ev): -44.0228 -44.0228 -16.2255 -16.2255 -15.9705 -15.9705 -15.8784 -15.8784 -11.5453 -11.5453 -11.1332 -11.1332 0.2003 0.2003 0.7471 0.7471 1.7442 1.7442 1.8602 1.8602 2.8411 2.8411 2.9695 2.9695 3.4406 3.4406 3.9228 3.9228 4.9005 4.9005 5.5080 5.5080 6.5728 6.5728 13.7510 13.7510 13.9897 13.9897 16.1974 16.1974 k = 0.1922-0.4444 0.3299 ( 2878 PWs) bands (ev): -44.0234 -44.0234 -16.2206 -16.2206 -15.9709 -15.9709 -15.8788 -15.8788 -11.5641 -11.5641 -11.1390 -11.1390 0.2522 0.2522 0.7045 0.7045 1.7509 1.7509 1.8205 1.8205 2.9060 2.9060 2.9627 2.9627 3.4607 3.4607 3.9474 3.9474 4.9227 4.9227 5.4922 5.4922 6.5379 6.5379 13.6754 13.6754 13.9840 13.9840 16.2346 16.2346 k = 0.1879-0.4343 0.3299 ( 2874 PWs) bands (ev): -44.0241 -44.0241 -16.2154 -16.2154 -15.9713 -15.9713 -15.8792 -15.8792 -11.5838 -11.5838 -11.1450 -11.1450 0.3075 0.3075 0.6641 0.6641 1.7210 1.7210 1.8175 1.8175 2.9059 2.9059 3.0196 3.0196 3.4775 3.4775 3.9744 3.9744 4.9459 4.9459 5.4739 5.4739 6.5031 6.5031 13.6003 13.6003 13.9716 13.9716 16.2826 16.2826 k = 0.1835-0.4242 0.3299 ( 2874 PWs) bands (ev): -44.0248 -44.0248 -16.2100 -16.2100 -15.9717 -15.9717 -15.8797 -15.8797 -11.6043 -11.6043 -11.1512 -11.1512 0.3658 0.3658 0.6262 0.6262 1.6701 1.6701 1.8359 1.8359 2.8834 2.8834 3.0976 3.0976 3.4912 3.4912 4.0033 4.0033 4.9699 4.9699 5.4532 5.4532 6.4687 6.4687 13.5257 13.5257 13.9527 13.9527 16.3408 16.3408 k = 0.1791-0.4141 0.3299 ( 2868 PWs) bands (ev): -44.0255 -44.0255 -16.2043 -16.2043 -15.9721 -15.9721 -15.8802 -15.8802 -11.6256 -11.6256 -11.1575 -11.1575 0.4266 0.4266 0.5913 0.5913 1.6147 1.6147 1.8594 1.8594 2.8578 2.8578 3.1771 3.1771 3.5018 3.5018 4.0338 4.0338 4.9947 4.9947 5.4303 5.4303 6.4350 6.4350 13.4515 13.4515 13.9277 13.9277 16.4088 16.4088 k = 0.1748-0.4040 0.3299 ( 2870 PWs) bands (ev): -44.0262 -44.0262 -16.1985 -16.1985 -15.9725 -15.9725 -15.8808 -15.8808 -11.6476 -11.6476 -11.1640 -11.1640 0.4867 0.4867 0.5621 0.5621 1.5582 1.5582 1.8849 1.8849 2.8311 2.8311 3.2559 3.2559 3.5098 3.5098 4.0654 4.0654 5.0200 5.0200 5.4051 5.4051 6.4023 6.4023 13.3777 13.3777 13.8971 13.8971 16.4856 16.4856 k = 0.1704-0.3939 0.3299 ( 2868 PWs) bands (ev): -44.0269 -44.0269 -16.1925 -16.1925 -15.9729 -15.9729 -15.8814 -15.8814 -11.6702 -11.6702 -11.1707 -11.1707 0.5108 0.5108 0.5740 0.5740 1.5013 1.5013 1.9116 1.9116 2.8038 2.8038 3.3332 3.3332 3.5154 3.5154 4.0978 4.0978 5.0457 5.0457 5.3781 5.3781 6.3712 6.3712 13.3044 13.3044 13.8614 13.8614 16.5704 16.5704 k = 0.1660-0.3838 0.3299 ( 2870 PWs) bands (ev): -44.0277 -44.0277 -16.1864 -16.1864 -15.9732 -15.9732 -15.8820 -15.8820 -11.6934 -11.6934 -11.1774 -11.1774 0.4880 0.4880 0.6375 0.6375 1.4447 1.4447 1.9394 1.9394 2.7760 2.7760 3.4082 3.4082 3.5191 3.5191 4.1305 4.1305 5.0717 5.0717 5.3493 5.3493 6.3419 6.3419 13.2314 13.2314 13.8213 13.8213 16.6621 16.6621 k = 0.1617-0.3737 0.3299 ( 2868 PWs) bands (ev): -44.0285 -44.0285 -16.1801 -16.1801 -15.9734 -15.9734 -15.8826 -15.8826 -11.7170 -11.7170 -11.1843 -11.1843 0.4620 0.4620 0.7087 0.7087 1.3887 1.3887 1.9680 1.9680 2.7481 2.7481 3.4800 3.4800 3.5214 3.5214 4.1633 4.1633 5.0978 5.0978 5.3190 5.3190 6.3151 6.3151 13.1588 13.1588 13.7772 13.7772 16.7594 16.7594 k = 0.1573-0.3636 0.3299 ( 2866 PWs) bands (ev): -44.0294 -44.0294 -16.1739 -16.1739 -15.9736 -15.9736 -15.8833 -15.8833 -11.7410 -11.7410 -11.1912 -11.1912 0.4373 0.4373 0.7827 0.7827 1.3337 1.3337 1.9975 1.9975 2.7201 2.7201 3.5194 3.5194 3.5513 3.5513 4.1957 4.1957 5.1237 5.1237 5.2876 5.2876 6.2913 6.2913 13.0866 13.0866 13.7298 13.7298 16.8608 16.8608 k = 0.1529-0.3535 0.3299 ( 2866 PWs) bands (ev): -44.0302 -44.0302 -16.1677 -16.1677 -15.9736 -15.9736 -15.8839 -15.8839 -11.7653 -11.7653 -11.1983 -11.1983 0.4143 0.4143 0.8582 0.8582 1.2805 1.2805 2.0277 2.0277 2.6921 2.6921 3.5192 3.5192 3.6154 3.6154 4.2275 4.2275 5.1491 5.1491 5.2557 5.2557 6.2709 6.2709 13.0148 13.0148 13.6795 13.6795 16.9645 16.9645 k = 0.1486-0.3434 0.3299 ( 2868 PWs) bands (ev): -44.0311 -44.0311 -16.1616 -16.1616 -15.9735 -15.9735 -15.8846 -15.8846 -11.7898 -11.7898 -11.2054 -11.2054 0.3934 0.3934 0.9331 0.9331 1.2308 1.2308 2.0586 2.0586 2.6643 2.6643 3.5173 3.5173 3.6755 3.6755 4.2585 4.2585 5.1714 5.1714 5.2257 5.2257 6.2546 6.2546 12.9434 12.9434 13.6267 13.6267 17.0680 17.0680 k = 0.1442-0.3333 0.3299 ( 2872 PWs) bands (ev): -44.0319 -44.0319 -16.1555 -16.1555 -15.9732 -15.9732 -15.8852 -15.8852 -11.8144 -11.8144 -11.2126 -11.2126 0.3744 0.3744 1.0013 1.0013 1.1907 1.1907 2.0901 2.0901 2.6367 2.6367 3.5145 3.5145 3.7303 3.7303 4.2884 4.2884 5.1725 5.1725 5.2161 5.2161 6.2429 6.2429 12.8723 12.8723 13.5719 13.5719 17.1680 17.1680 k = 0.1398-0.3232 0.3299 ( 2876 PWs) bands (ev): -44.0328 -44.0328 -16.1497 -16.1497 -15.9728 -15.9728 -15.8858 -15.8858 -11.8392 -11.8392 -11.2198 -11.2198 0.3574 0.3574 1.0388 1.0388 1.1839 1.1839 2.1224 2.1224 2.6094 2.6094 3.5110 3.5110 3.7790 3.7790 4.3171 4.3171 5.1440 5.1440 5.2355 5.2355 6.2366 6.2366 12.8017 12.8017 13.5153 13.5153 17.2595 17.2595 k = 0.1354-0.3131 0.3299 ( 2880 PWs) bands (ev): -44.0337 -44.0337 -16.1441 -16.1441 -15.9721 -15.9721 -15.8865 -15.8865 -11.8639 -11.8639 -11.2270 -11.2270 0.3424 0.3424 1.0220 1.0220 1.2341 1.2341 2.1551 2.1551 2.5826 2.5826 3.5070 3.5070 3.8210 3.8210 4.3445 4.3445 5.1099 5.1099 5.2596 5.2596 6.2360 6.2360 12.7315 12.7315 13.4573 13.4573 17.3360 17.3360 k = 0.1311-0.3030 0.3299 ( 2880 PWs) bands (ev): -44.0346 -44.0346 -16.1386 -16.1386 -15.9711 -15.9711 -15.8870 -15.8870 -11.8886 -11.8886 -11.2343 -11.2343 0.3294 0.3294 0.9817 0.9817 1.3102 1.3102 2.1884 2.1884 2.5565 2.5565 3.5026 3.5026 3.8557 3.8557 4.3705 4.3705 5.0746 5.0746 5.2844 5.2844 6.2418 6.2418 12.6618 12.6618 13.3982 13.3982 17.3903 17.3903 k = 0.1267-0.2929 0.3299 ( 2882 PWs) bands (ev): -44.0355 -44.0355 -16.1335 -16.1335 -15.9698 -15.9698 -15.8876 -15.8876 -11.9132 -11.9132 -11.2415 -11.2415 0.3182 0.3182 0.9359 0.9359 1.3942 1.3942 2.2220 2.2220 2.5311 2.5311 3.4981 3.4981 3.8827 3.8827 4.3949 4.3949 5.0389 5.0389 5.3090 5.3090 6.2543 6.2543 12.5926 12.5926 13.3382 13.3382 17.4176 17.4176 k = 0.1223-0.2828 0.3299 ( 2878 PWs) bands (ev): -44.0364 -44.0364 -16.1287 -16.1287 -15.9682 -15.9682 -15.8880 -15.8880 -11.9375 -11.9375 -11.2488 -11.2488 0.3088 0.3088 0.8890 0.8890 1.4814 1.4814 2.2557 2.2557 2.5067 2.5067 3.4935 3.4935 3.9019 3.9019 4.4176 4.4176 5.0028 5.0028 5.3332 5.3332 6.2738 6.2738 12.5239 12.5239 13.2775 13.2775 17.4188 17.4188 k = 0.1180-0.2727 0.3299 ( 2880 PWs) bands (ev): -44.0373 -44.0373 -16.1244 -16.1244 -15.9664 -15.9664 -15.8884 -15.8884 -11.9616 -11.9616 -11.2559 -11.2559 0.3012 0.3012 0.8423 0.8423 1.5703 1.5703 2.2891 2.2891 2.4839 2.4839 3.4889 3.4889 3.9134 3.9134 4.4387 4.4387 4.9665 4.9665 5.3570 5.3570 6.3003 6.3003 12.4559 12.4559 13.2163 13.2163 17.3996 17.3996 k = 0.1136-0.2626 0.3299 ( 2874 PWs) bands (ev): -44.0382 -44.0382 -16.1204 -16.1204 -15.9642 -15.9642 -15.8887 -15.8887 -11.9853 -11.9853 -11.2631 -11.2631 0.2953 0.2953 0.7964 0.7964 1.6602 1.6602 2.3210 2.3210 2.4639 2.4639 3.4846 3.4846 3.9172 3.9172 4.4579 4.4579 4.9300 4.9300 5.3802 5.3802 6.3338 6.3338 12.3885 12.3885 13.1548 13.1548 17.3666 17.3666 k = 0.1092-0.2525 0.3299 ( 2872 PWs) bands (ev): -44.0391 -44.0391 -16.1168 -16.1168 -15.9618 -15.9618 -15.8889 -15.8889 -12.0086 -12.0086 -11.2701 -11.2701 0.2910 0.2910 0.7517 0.7517 1.7504 1.7504 2.3482 2.3482 2.4500 2.4500 3.4807 3.4807 3.9140 3.9140 4.4752 4.4752 4.8931 4.8931 5.4029 5.4029 6.3739 6.3739 12.3219 12.3219 13.0932 13.0932 17.3251 17.3251 k = 0.1049-0.2424 0.3299 ( 2866 PWs) bands (ev): -44.0399 -44.0399 -16.1137 -16.1137 -15.9591 -15.9591 -15.8889 -15.8889 -12.0315 -12.0315 -11.2771 -11.2771 0.2881 0.2881 0.7082 0.7082 1.8405 1.8405 2.3630 2.3630 2.4500 2.4500 3.4772 3.4772 3.9043 3.9043 4.4905 4.4905 4.8558 4.8558 5.4249 5.4249 6.4202 6.4202 12.2561 12.2561 13.0316 13.0316 17.2787 17.2787 k = 0.1005-0.2323 0.3299 ( 2862 PWs) bands (ev): -44.0408 -44.0408 -16.1110 -16.1110 -15.9562 -15.9562 -15.8888 -15.8888 -12.0538 -12.0538 -11.2839 -11.2839 0.2867 0.2867 0.6661 0.6661 1.9297 1.9297 2.3605 2.3605 2.4693 2.4693 3.4744 3.4744 3.8887 3.8887 4.5037 4.5037 4.8180 4.8180 5.4462 5.4462 6.4721 6.4721 12.1913 12.1913 12.9701 12.9701 17.2299 17.2299 k = 0.0961-0.2222 0.3299 ( 2860 PWs) bands (ev): -44.0416 -44.0416 -16.1087 -16.1087 -15.9532 -15.9532 -15.8885 -15.8885 -12.0756 -12.0756 -11.2906 -11.2906 0.2865 0.2865 0.6256 0.6256 2.0170 2.0170 2.3492 2.3492 2.4997 2.4997 3.4724 3.4724 3.8682 3.8682 4.5148 4.5148 4.7797 4.7797 5.4667 5.4667 6.5290 6.5290 12.1274 12.1274 12.9090 12.9090 17.1802 17.1802 k = 0.0918-0.2121 0.3299 ( 2860 PWs) bands (ev): -44.0425 -44.0425 -16.1069 -16.1069 -15.9501 -15.9501 -15.8880 -15.8880 -12.0968 -12.0968 -11.2972 -11.2972 0.2875 0.2875 0.5868 0.5868 2.1004 2.1004 2.3377 2.3377 2.5346 2.5346 3.4715 3.4715 3.8434 3.8434 4.5235 4.5235 4.7410 4.7410 5.4865 5.4865 6.5901 6.5901 12.0647 12.0647 12.8483 12.8483 17.1306 17.1306 k = 0.0874-0.2020 0.3299 ( 2856 PWs) bands (ev): -44.0432 -44.0432 -16.1053 -16.1053 -15.9470 -15.9470 -15.8873 -15.8873 -12.1173 -12.1173 -11.3036 -11.3036 0.2893 0.2893 0.5497 0.5497 2.1740 2.1740 2.3338 2.3338 2.5715 2.5715 3.4718 3.4718 3.8152 3.8152 4.5297 4.5297 4.7020 4.7020 5.5055 5.5055 6.6546 6.6546 12.0033 12.0033 12.7882 12.7882 17.0817 17.0817 k = 0.0830-0.1919 0.3299 ( 2850 PWs) bands (ev): -44.0440 -44.0440 -16.1041 -16.1041 -15.9439 -15.9439 -15.8863 -15.8863 -12.1371 -12.1371 -11.3098 -11.3098 0.2919 0.2919 0.5147 0.5147 2.2215 2.2215 2.3543 2.3543 2.6096 2.6096 3.4737 3.4737 3.7843 3.7843 4.5332 4.5332 4.6628 4.6628 5.5237 5.5237 6.7219 6.7219 11.9433 11.9433 12.7289 12.7289 17.0340 17.0340 k = 0.0786-0.1818 0.3299 ( 2854 PWs) bands (ev): -44.0448 -44.0448 -16.1033 -16.1033 -15.9411 -15.9411 -15.8851 -15.8851 -12.1562 -12.1562 -11.3158 -11.3158 0.2948 0.2948 0.4820 0.4820 2.2325 2.2325 2.4092 2.4092 2.6483 2.6483 3.4775 3.4775 3.7514 3.7514 4.5332 4.5332 4.6243 4.6243 5.5410 5.5410 6.7911 6.7911 11.8849 11.8849 12.6705 12.6705 16.9878 16.9878 k = 0.0743-0.1717 0.3299 ( 2852 PWs) bands (ev): -44.0455 -44.0455 -16.1027 -16.1027 -15.9385 -15.9385 -15.8835 -15.8835 -12.1744 -12.1744 -11.3216 -11.3216 0.2976 0.2976 0.4520 0.4520 2.2259 2.2259 2.4793 2.4793 2.6876 2.6876 3.4834 3.4834 3.7171 3.7171 4.5280 4.5280 4.5883 4.5883 5.5574 5.5574 6.8615 6.8615 11.8281 11.8281 12.6133 12.6133 16.9435 16.9435 k = 0.0699-0.1616 0.3299 ( 2854 PWs) bands (ev): -44.0462 -44.0462 -16.1023 -16.1023 -15.9361 -15.9361 -15.8816 -15.8816 -12.1918 -12.1918 -11.3272 -11.3272 0.2993 0.2993 0.4254 0.4254 2.2141 2.2141 2.5515 2.5515 2.7275 2.7275 3.4920 3.4920 3.6821 3.6821 4.5119 4.5119 4.5603 4.5603 5.5730 5.5730 6.9324 6.9324 11.7733 11.7733 12.5573 12.5573 16.9011 16.9011 k = 0.0655-0.1515 0.3299 ( 2854 PWs) bands (ev): -44.0469 -44.0469 -16.1021 -16.1021 -15.9340 -15.9340 -15.8795 -15.8795 -12.2083 -12.2083 -11.3325 -11.3325 0.2987 0.2987 0.4036 0.4036 2.2009 2.2009 2.6213 2.6213 2.7679 2.7679 3.5034 3.5034 3.6472 3.6472 4.4818 4.4818 4.5438 4.5438 5.5878 5.5878 7.0031 7.0031 11.7204 11.7204 12.5028 12.5028 16.8609 16.8609 k = 0.0612-0.1414 0.3299 ( 2854 PWs) bands (ev): -44.0475 -44.0475 -16.1021 -16.1021 -15.9323 -15.9323 -15.8771 -15.8771 -12.2240 -12.2240 -11.3376 -11.3376 0.2938 0.2938 0.3883 0.3883 2.1875 2.1875 2.6866 2.6866 2.8089 2.8089 3.5176 3.5176 3.6134 3.6134 4.4446 4.4446 4.5318 4.5318 5.6016 5.6016 7.0731 7.0731 11.6698 11.6698 12.4500 12.4500 16.8229 16.8229 k = 0.0568-0.1313 0.3299 ( 2858 PWs) bands (ev): -44.0481 -44.0481 -16.1022 -16.1022 -15.9308 -15.9308 -15.8745 -15.8745 -12.2386 -12.2386 -11.3423 -11.3423 0.2836 0.2836 0.3804 0.3804 2.1745 2.1745 2.7459 2.7459 2.8506 2.8506 3.5317 3.5317 3.5845 3.5845 4.4054 4.4054 4.5195 4.5195 5.6145 5.6145 7.1415 7.1415 11.6216 11.6216 12.3991 12.3991 16.7872 16.7872 k = 0.0524-0.1212 0.3299 ( 2858 PWs) bands (ev): -44.0487 -44.0487 -16.1024 -16.1024 -15.9296 -15.9296 -15.8718 -15.8718 -12.2523 -12.2523 -11.3468 -11.3468 0.2693 0.2693 0.3787 0.3787 2.1620 2.1620 2.7983 2.7983 2.8928 2.8928 3.5272 3.5272 3.5800 3.5800 4.3658 4.3658 4.5054 4.5054 5.6264 5.6264 7.2079 7.2079 11.5759 11.5759 12.3504 12.3504 16.7540 16.7540 k = 0.0481-0.1111 0.3299 ( 2860 PWs) bands (ev): -44.0492 -44.0492 -16.1026 -16.1026 -15.9287 -15.9287 -15.8691 -15.8691 -12.2651 -12.2651 -11.3510 -11.3510 0.2529 0.2529 0.3810 0.3810 2.1503 2.1503 2.8438 2.8438 2.9348 2.9348 3.5009 3.5009 3.6035 3.6035 4.3266 4.3266 4.4889 4.4889 5.6375 5.6375 7.2716 7.2716 11.5331 11.5331 12.3041 12.3041 16.7232 16.7232 k = 0.0437-0.1010 0.3299 ( 2862 PWs) bands (ev): -44.0497 -44.0497 -16.1029 -16.1029 -15.9279 -15.9279 -15.8664 -15.8664 -12.2767 -12.2767 -11.3549 -11.3549 0.2361 0.2361 0.3854 0.3854 2.1395 2.1395 2.8829 2.8829 2.9756 2.9756 3.4714 3.4714 3.6367 3.6367 4.2881 4.2881 4.4699 4.4699 5.6476 5.6476 7.3322 7.3322 11.4932 11.4932 12.2605 12.2605 16.6950 16.6950 k = 0.0393-0.0909 0.3299 ( 2864 PWs) bands (ev): -44.0501 -44.0501 -16.1032 -16.1032 -15.9273 -15.9273 -15.8637 -15.8637 -12.2874 -12.2874 -11.3584 -11.3584 0.2199 0.2199 0.3910 0.3910 2.1296 2.1296 2.9165 2.9165 3.0142 3.0142 3.4428 3.4428 3.6757 3.6757 4.2508 4.2508 4.4482 4.4482 5.6567 5.6567 7.3889 7.3889 11.4564 11.4564 12.2198 12.2198 16.6693 16.6693 k = 0.0350-0.0808 0.3299 ( 2866 PWs) bands (ev): -44.0505 -44.0505 -16.1036 -16.1036 -15.9269 -15.9269 -15.8612 -15.8612 -12.2970 -12.2970 -11.3616 -11.3616 0.2049 0.2049 0.3969 0.3969 2.1207 2.1207 2.9451 2.9451 3.0501 3.0501 3.4158 3.4158 3.7190 3.7190 4.2151 4.2151 4.4239 4.4239 5.6649 5.6649 7.4413 7.4413 11.4230 11.4230 12.1824 12.1824 16.6462 16.6462 k = 0.0306-0.0707 0.3299 ( 2866 PWs) bands (ev): -44.0509 -44.0509 -16.1039 -16.1039 -15.9265 -15.9265 -15.8589 -15.8589 -12.3054 -12.3054 -11.3644 -11.3644 0.1913 0.1913 0.4027 0.4027 2.1127 2.1127 2.9691 2.9691 3.0832 3.0832 3.3910 3.3910 3.7657 3.7657 4.1815 4.1815 4.3968 4.3968 5.6722 5.6722 7.4890 7.4890 11.3930 11.3930 12.1485 12.1485 16.6258 16.6258 k = 0.0262-0.0606 0.3299 ( 2866 PWs) bands (ev): -44.0512 -44.0512 -16.1042 -16.1042 -15.9262 -15.9262 -15.8568 -15.8568 -12.3128 -12.3128 -11.3669 -11.3669 0.1793 0.1793 0.4083 0.4083 2.1058 2.1058 2.9888 2.9888 3.1135 3.1135 3.3685 3.3685 3.8146 3.8146 4.1505 4.1505 4.3671 4.3671 5.6784 5.6784 7.5313 7.5313 11.3667 11.3667 12.1185 12.1185 16.6080 16.6080 k = 0.0218-0.0505 0.3299 ( 2864 PWs) bands (ev): -44.0515 -44.0515 -16.1045 -16.1045 -15.9260 -15.9260 -15.8550 -15.8550 -12.3191 -12.3191 -11.3690 -11.3690 0.1690 0.1690 0.4133 0.4133 2.0999 2.0999 3.0046 3.0046 3.1407 3.1407 3.3486 3.3486 3.8648 3.8648 4.1227 4.1227 4.3348 4.3348 5.6838 5.6838 7.5680 7.5680 11.3442 11.3442 12.0926 12.0926 16.5930 16.5930 k = 0.0175-0.0404 0.3299 ( 2862 PWs) bands (ev): -44.0517 -44.0517 -16.1047 -16.1047 -15.9259 -15.9259 -15.8534 -15.8534 -12.3243 -12.3243 -11.3707 -11.3707 0.1606 0.1606 0.4177 0.4177 2.0950 2.0950 3.0170 3.0170 3.1647 3.1647 3.3314 3.3314 3.9152 3.9152 4.0987 4.0987 4.3002 4.3002 5.6881 5.6881 7.5985 7.5985 11.3256 11.3256 12.0709 12.0709 16.5806 16.5806 k = 0.0131-0.0303 0.3299 ( 2856 PWs) bands (ev): -44.0518 -44.0518 -16.1049 -16.1049 -15.9257 -15.9257 -15.8522 -15.8522 -12.3283 -12.3283 -11.3721 -11.3721 0.1540 0.1540 0.4212 0.4212 2.0913 2.0913 3.0262 3.0262 3.1850 3.1850 3.3170 3.3170 3.9646 3.9646 4.0791 4.0791 4.2638 4.2638 5.6915 5.6915 7.6226 7.6226 11.3110 11.3110 12.0539 12.0539 16.5710 16.5710 k = 0.0087-0.0202 0.3299 ( 2852 PWs) bands (ev): -44.0519 -44.0519 -16.1050 -16.1050 -15.9256 -15.9256 -15.8513 -15.8513 -12.3311 -12.3311 -11.3731 -11.3731 0.1492 0.1492 0.4238 0.4238 2.0886 2.0886 3.0325 3.0325 3.2009 3.2009 3.3057 3.3057 4.0111 4.0111 4.0647 4.0647 4.2267 4.2267 5.6940 5.6940 7.6401 7.6401 11.3005 11.3005 12.0416 12.0416 16.5641 16.5641 k = 0.0044-0.0101 0.3299 ( 2852 PWs) bands (ev): -44.0520 -44.0520 -16.1051 -16.1051 -15.9256 -15.9256 -15.8507 -15.8507 -12.3329 -12.3329 -11.3736 -11.3736 0.1463 0.1463 0.4253 0.4253 2.0869 2.0869 3.0362 3.0362 3.2114 3.2114 3.2981 3.2981 4.0486 4.0486 4.0580 4.0580 4.1928 4.1928 5.6954 5.6954 7.6506 7.6506 11.2942 11.2942 12.0341 12.0341 16.5600 16.5600 k = 0.0000 0.0000 0.3299 ( 2852 PWs) bands (ev): -44.0520 -44.0520 -16.1051 -16.1051 -15.9256 -15.9256 -15.8506 -15.8506 -12.3334 -12.3334 -11.3738 -11.3738 0.1454 0.1454 0.4259 0.4259 2.0864 2.0864 3.0374 3.0374 3.2151 3.2151 3.2954 3.2954 4.0514 4.0514 4.0711 4.0711 4.1760 4.1760 5.6959 5.6959 7.6541 7.6541 11.2921 11.2921 12.0316 12.0316 16.5586 16.5586 k = 0.0000 0.0000 0.3299 ( 2852 PWs) bands (ev): -44.0520 -44.0520 -16.1051 -16.1051 -15.9256 -15.9256 -15.8506 -15.8506 -12.3334 -12.3334 -11.3738 -11.3738 0.1454 0.1454 0.4259 0.4259 2.0864 2.0864 3.0374 3.0374 3.2151 3.2151 3.2954 3.2954 4.0514 4.0514 4.0711 4.0711 4.1760 4.1760 5.6959 5.6959 7.6541 7.6541 11.2921 11.2921 12.0316 12.0316 16.5586 16.5586 k = 0.0099 0.0043 0.3299 ( 2852 PWs) bands (ev): -44.0520 -44.0520 -16.1051 -16.1051 -15.9256 -15.9256 -15.8506 -15.8506 -12.3333 -12.3333 -11.3736 -11.3736 0.1453 0.1453 0.4258 0.4258 2.0858 2.0858 3.0359 3.0359 3.2162 3.2162 3.2955 3.2955 4.0264 4.0264 4.0955 4.0955 4.1759 4.1759 5.6950 5.6950 7.6541 7.6541 11.2937 11.2937 12.0341 12.0341 16.5583 16.5583 k = 0.0199 0.0086 0.3299 ( 2856 PWs) bands (ev): -44.0520 -44.0520 -16.1051 -16.1051 -15.9258 -15.9258 -15.8507 -15.8507 -12.3330 -12.3330 -11.3728 -11.3728 0.1451 0.1451 0.4258 0.4258 2.0840 2.0840 3.0315 3.0315 3.2193 3.2193 3.2961 3.2961 3.9935 3.9935 4.1269 4.1269 4.1759 4.1759 5.6922 5.6922 7.6539 7.6539 11.2985 11.2985 12.0415 12.0415 16.5575 16.5575 k = 0.0298 0.0129 0.3299 ( 2858 PWs) bands (ev): -44.0520 -44.0520 -16.1050 -16.1050 -15.9261 -15.9261 -15.8509 -15.8509 -12.3325 -12.3325 -11.3715 -11.3715 0.1447 0.1447 0.4256 0.4256 2.0809 2.0809 3.0244 3.0244 3.2242 3.2242 3.2971 3.2971 3.9600 3.9600 4.1570 4.1570 4.1767 4.1767 5.6876 5.6876 7.6537 7.6537 11.3065 11.3065 12.0537 12.0537 16.5559 16.5559 k = 0.0398 0.0172 0.3299 ( 2854 PWs) bands (ev): -44.0520 -44.0520 -16.1048 -16.1048 -15.9264 -15.9264 -15.8512 -15.8512 -12.3317 -12.3317 -11.3698 -11.3698 0.1441 0.1441 0.4254 0.4254 2.0768 2.0768 3.0147 3.0147 3.2306 3.2306 3.2986 3.2986 3.9265 3.9265 4.1718 4.1718 4.1920 4.1920 5.6812 5.6812 7.6533 7.6533 11.3177 11.3177 12.0707 12.0707 16.5537 16.5537 k = 0.0497 0.0215 0.3299 ( 2856 PWs) bands (ev): -44.0519 -44.0519 -16.1047 -16.1047 -15.9268 -15.9268 -15.8516 -15.8516 -12.3308 -12.3308 -11.3675 -11.3675 0.1434 0.1434 0.4252 0.4252 2.0714 2.0714 3.0028 3.0028 3.2380 3.2380 3.3008 3.3008 3.8932 3.8932 4.1721 4.1721 4.2205 4.2205 5.6732 5.6732 7.6528 7.6528 11.3319 11.3319 12.0924 12.0924 16.5506 16.5506 k = 0.0596 0.0258 0.3299 ( 2858 PWs) bands (ev): -44.0519 -44.0519 -16.1045 -16.1045 -15.9274 -15.9274 -15.8520 -15.8520 -12.3296 -12.3296 -11.3647 -11.3647 0.1425 0.1425 0.4249 0.4249 2.0650 2.0650 2.9887 2.9887 3.2458 3.2458 3.3037 3.3037 3.8604 3.8604 4.1713 4.1713 4.2489 4.2489 5.6637 5.6637 7.6523 7.6523 11.3492 11.3492 12.1186 12.1186 16.5466 16.5466 k = 0.0696 0.0301 0.3299 ( 2857 PWs) bands (ev): -44.0518 -44.0518 -16.1043 -16.1043 -15.9280 -15.9280 -15.8525 -15.8525 -12.3283 -12.3283 -11.3615 -11.3615 0.1415 0.1415 0.4246 0.4246 2.0575 2.0575 2.9726 2.9726 3.2538 3.2538 3.3078 3.3078 3.8283 3.8283 4.1702 4.1702 4.2763 4.2763 5.6528 5.6528 7.6516 7.6516 11.3695 11.3695 12.1492 12.1492 16.5414 16.5414 k = 0.0795 0.0344 0.3299 ( 2863 PWs) bands (ev): -44.0518 -44.0518 -16.1041 -16.1041 -15.9288 -15.9288 -15.8531 -15.8531 -12.3267 -12.3267 -11.3578 -11.3578 0.1403 0.1403 0.4242 0.4242 2.0490 2.0490 2.9545 2.9545 3.2613 3.2613 3.3132 3.3132 3.7971 3.7971 4.1688 4.1688 4.3026 4.3026 5.6406 5.6406 7.6508 7.6508 11.3926 11.3926 12.1840 12.1840 16.5348 16.5348 k = 0.0895 0.0387 0.3299 ( 2863 PWs) bands (ev): -44.0517 -44.0517 -16.1038 -16.1038 -15.9296 -15.9296 -15.8536 -15.8536 -12.3250 -12.3250 -11.3536 -11.3536 0.1389 0.1389 0.4238 0.4238 2.0396 2.0396 2.9345 2.9345 3.2679 3.2679 3.3203 3.3203 3.7671 3.7671 4.1672 4.1672 4.3275 4.3275 5.6275 5.6275 7.6500 7.6500 11.4185 11.4185 12.2228 12.2228 16.5266 16.5266 k = 0.0994 0.0430 0.3299 ( 2861 PWs) bands (ev): -44.0516 -44.0516 -16.1035 -16.1035 -15.9305 -15.9305 -15.8542 -15.8542 -12.3230 -12.3230 -11.3490 -11.3490 0.1373 0.1373 0.4233 0.4233 2.0294 2.0294 2.9126 2.9126 3.2734 3.2734 3.3290 3.3290 3.7385 3.7385 4.1654 4.1654 4.3510 4.3510 5.6135 5.6135 7.6491 7.6491 11.4471 11.4471 12.2653 12.2653 16.5167 16.5167 k = 0.1093 0.0473 0.3299 ( 2860 PWs) bands (ev): -44.0516 -44.0516 -16.1033 -16.1033 -15.9314 -15.9314 -15.8549 -15.8549 -12.3209 -12.3209 -11.3440 -11.3440 0.1355 0.1355 0.4228 0.4228 2.0183 2.0183 2.8887 2.8887 3.2780 3.2780 3.3392 3.3392 3.7114 3.7114 4.1634 4.1634 4.3730 4.3730 5.5988 5.5988 7.6481 7.6481 11.4782 11.4782 12.3114 12.3114 16.5047 16.5047 k = 0.1193 0.0516 0.3299 ( 2862 PWs) bands (ev): -44.0515 -44.0515 -16.1031 -16.1031 -15.9325 -15.9325 -15.8556 -15.8556 -12.3186 -12.3186 -11.3386 -11.3386 0.1336 0.1336 0.4222 0.4222 2.0065 2.0065 2.8630 2.8630 3.2818 3.2818 3.3504 3.3504 3.6861 3.6861 4.1612 4.1612 4.3934 4.3934 5.5837 5.5837 7.6470 7.6470 11.5116 11.5116 12.3607 12.3607 16.4903 16.4903 k = 0.1292 0.0559 0.3299 ( 2861 PWs) bands (ev): -44.0514 -44.0514 -16.1029 -16.1029 -15.9335 -15.9335 -15.8563 -15.8563 -12.3162 -12.3162 -11.3328 -11.3328 0.1314 0.1314 0.4216 0.4216 1.9940 1.9940 2.8355 2.8355 3.2851 3.2851 3.3622 3.3622 3.6629 3.6629 4.1589 4.1589 4.4122 4.4122 5.5683 5.5683 7.6458 7.6458 11.5473 11.5473 12.4132 12.4132 16.4734 16.4734 k = 0.1391 0.0602 0.3299 ( 2861 PWs) bands (ev): -44.0513 -44.0513 -16.1027 -16.1027 -15.9347 -15.9347 -15.8569 -15.8569 -12.3136 -12.3136 -11.3267 -11.3267 0.1290 0.1290 0.4209 0.4209 1.9810 1.9810 2.8061 2.8061 3.2879 3.2879 3.3742 3.3742 3.6419 3.6419 4.1564 4.1564 4.4293 4.4293 5.5529 5.5529 7.6446 7.6446 11.5851 11.5851 12.4684 12.4684 16.4537 16.4537 k = 0.1491 0.0645 0.3299 ( 2857 PWs) bands (ev): -44.0512 -44.0512 -16.1025 -16.1025 -15.9359 -15.9359 -15.8576 -15.8576 -12.3108 -12.3108 -11.3202 -11.3202 0.1264 0.1264 0.4202 0.4202 1.9674 1.9674 2.7751 2.7751 3.2906 3.2906 3.3859 3.3859 3.6236 3.6236 4.1538 4.1538 4.4447 4.4447 5.5377 5.5377 7.6433 7.6433 11.6248 11.6248 12.5263 12.5263 16.4310 16.4310 k = 0.1590 0.0688 0.3299 ( 2861 PWs) bands (ev): -44.0511 -44.0511 -16.1025 -16.1025 -15.9371 -15.9371 -15.8583 -15.8583 -12.3079 -12.3079 -11.3134 -11.3134 0.1236 0.1236 0.4195 0.4195 1.9534 1.9534 2.7425 2.7425 3.2930 3.2930 3.3968 3.3968 3.6081 3.6081 4.1510 4.1510 4.4583 4.4583 5.5228 5.5228 7.6419 7.6419 11.6661 11.6661 12.5865 12.5865 16.4053 16.4053 k = 0.1690 0.0731 0.3299 ( 2863 PWs) bands (ev): -44.0510 -44.0510 -16.1025 -16.1025 -15.9384 -15.9384 -15.8590 -15.8590 -12.3049 -12.3049 -11.3064 -11.3064 0.1206 0.1206 0.4187 0.4187 1.9390 1.9390 2.7085 2.7085 3.2954 3.2954 3.4063 3.4063 3.5961 3.5961 4.1481 4.1481 4.4702 4.4702 5.5084 5.5084 7.6405 7.6405 11.7090 11.7090 12.6488 12.6488 16.3765 16.3765 k = 0.1789 0.0774 0.3299 ( 2866 PWs) bands (ev): -44.0508 -44.0508 -16.1025 -16.1025 -15.9397 -15.9397 -15.8596 -15.8596 -12.3018 -12.3018 -11.2991 -11.2991 0.1174 0.1174 0.4180 0.4180 1.9243 1.9243 2.6732 2.6732 3.2976 3.2976 3.4138 3.4138 3.5880 3.5880 4.1450 4.1450 4.4803 4.4803 5.4948 5.4948 7.6390 7.6390 11.7531 11.7531 12.7130 12.7130 16.3445 16.3445 k = 0.1888 0.0817 0.3299 ( 2867 PWs) bands (ev): -44.0507 -44.0507 -16.1027 -16.1027 -15.9410 -15.9410 -15.8602 -15.8602 -12.2985 -12.2985 -11.2916 -11.2916 0.1139 0.1139 0.4171 0.4171 1.9093 1.9093 2.6369 2.6369 3.2998 3.2998 3.4186 3.4186 3.5842 3.5842 4.1419 4.1419 4.4886 4.4886 5.4820 5.4820 7.6375 7.6375 11.7984 11.7984 12.7789 12.7789 16.3095 16.3095 k = 0.1988 0.0860 0.3299 ( 2866 PWs) bands (ev): -44.0506 -44.0506 -16.1028 -16.1028 -15.9422 -15.9422 -15.8608 -15.8608 -12.2952 -12.2952 -11.2838 -11.2838 0.1103 0.1103 0.4163 0.4163 1.8942 1.8942 2.5996 2.5996 3.3019 3.3019 3.4207 3.4207 3.5848 3.5848 4.1386 4.1386 4.4952 4.4952 5.4701 5.4701 7.6360 7.6360 11.8445 11.8445 12.8462 12.8462 16.2717 16.2717 k = 0.2087 0.0903 0.3299 ( 2865 PWs) bands (ev): -44.0505 -44.0505 -16.1031 -16.1031 -15.9435 -15.9435 -15.8614 -15.8614 -12.2918 -12.2918 -11.2760 -11.2760 0.1064 0.1064 0.4154 0.4154 1.8791 1.8791 2.5617 2.5617 3.3039 3.3039 3.4200 3.4200 3.5895 3.5895 4.1352 4.1352 4.5001 4.5001 5.4593 5.4593 7.6345 7.6345 11.8913 11.8913 12.9149 12.9149 16.2312 16.2312 k = 0.2187 0.0946 0.3299 ( 2863 PWs) bands (ev): -44.0503 -44.0503 -16.1035 -16.1035 -15.9446 -15.9446 -15.8619 -15.8619 -12.2883 -12.2883 -11.2680 -11.2680 0.1023 0.1023 0.4145 0.4145 1.8638 1.8638 2.5232 2.5232 3.3059 3.3059 3.4174 3.4174 3.5977 3.5977 4.1318 4.1318 4.5033 4.5033 5.4496 5.4496 7.6329 7.6329 11.9385 11.9385 12.9847 12.9847 16.1884 16.1884 k = 0.2286 0.0989 0.3299 ( 2868 PWs) bands (ev): -44.0502 -44.0502 -16.1040 -16.1040 -15.9458 -15.9458 -15.8624 -15.8624 -12.2848 -12.2848 -11.2599 -11.2599 0.0980 0.0980 0.4136 0.4136 1.8486 1.8486 2.4844 2.4844 3.3076 3.3076 3.4133 3.4133 3.6085 3.6085 4.1283 4.1283 4.5050 4.5050 5.4411 5.4411 7.6313 7.6313 11.9859 11.9859 13.0555 13.0555 16.1437 16.1437 k = 0.2385 0.1032 0.3299 ( 2865 PWs) bands (ev): -44.0501 -44.0501 -16.1046 -16.1046 -15.9469 -15.9469 -15.8628 -15.8628 -12.2812 -12.2812 -11.2517 -11.2517 0.0935 0.0935 0.4127 0.4127 1.8336 1.8336 2.4455 2.4455 3.3092 3.3092 3.4084 3.4084 3.6212 3.6212 4.1247 4.1247 4.5052 4.5052 5.4337 5.4337 7.6297 7.6297 12.0333 12.0333 13.1271 13.1271 16.0974 16.0974 k = 0.2485 0.1075 0.3299 ( 2862 PWs) bands (ev): -44.0499 -44.0499 -16.1053 -16.1053 -15.9479 -15.9479 -15.8632 -15.8632 -12.2776 -12.2776 -11.2435 -11.2435 0.0888 0.0888 0.4118 0.4118 1.8187 1.8187 2.4066 2.4066 3.3106 3.3106 3.4033 3.4033 3.6352 3.6352 4.1211 4.1211 4.5041 4.5041 5.4275 5.4275 7.6281 7.6281 12.0805 12.0805 13.1993 13.1993 16.0500 16.0500 k = 0.2584 0.1118 0.3299 ( 2862 PWs) bands (ev): -44.0498 -44.0498 -16.1061 -16.1061 -15.9488 -15.9488 -15.8636 -15.8636 -12.2740 -12.2740 -11.2353 -11.2353 0.0840 0.0840 0.4109 0.4109 1.8040 1.8040 2.3679 2.3679 3.3117 3.3117 3.3983 3.3983 3.6502 3.6502 4.1174 4.1174 4.5016 4.5016 5.4224 5.4224 7.6265 7.6265 12.1272 12.1272 13.2722 13.2722 16.0018 16.0018 k = 0.2684 0.1161 0.3299 ( 2862 PWs) bands (ev): -44.0497 -44.0497 -16.1070 -16.1070 -15.9497 -15.9497 -15.8639 -15.8639 -12.2703 -12.2703 -11.2271 -11.2271 0.0790 0.0790 0.4100 0.4100 1.7896 1.7896 2.3295 2.3295 3.3125 3.3125 3.3936 3.3936 3.6657 3.6657 4.1137 4.1137 4.4981 4.4981 5.4183 5.4183 7.6249 7.6249 12.1732 12.1732 13.3455 13.3455 15.9532 15.9532 k = 0.2783 0.1204 0.3299 ( 2862 PWs) bands (ev): -44.0495 -44.0495 -16.1080 -16.1080 -15.9505 -15.9505 -15.8642 -15.8642 -12.2667 -12.2667 -11.2190 -11.2190 0.0739 0.0739 0.4090 0.4090 1.7756 1.7756 2.2916 2.2916 3.3129 3.3129 3.3895 3.3895 3.6815 3.6815 4.1100 4.1100 4.4936 4.4936 5.4152 5.4152 7.6233 7.6233 12.2183 12.2183 13.4192 13.4192 15.9048 15.9048 k = 0.2882 0.1247 0.3299 ( 2865 PWs) bands (ev): -44.0494 -44.0494 -16.1091 -16.1091 -15.9513 -15.9513 -15.8645 -15.8645 -12.2632 -12.2632 -11.2109 -11.2109 0.0687 0.0687 0.4081 0.4081 1.7619 1.7619 2.2544 2.2544 3.3128 3.3128 3.3861 3.3861 3.6975 3.6975 4.1064 4.1064 4.4882 4.4882 5.4130 5.4130 7.6217 7.6217 12.2623 12.2623 13.4933 13.4933 15.8567 15.8567 k = 0.2982 0.1290 0.3299 ( 2857 PWs) bands (ev): -44.0493 -44.0493 -16.1102 -16.1102 -15.9519 -15.9519 -15.8647 -15.8647 -12.2596 -12.2596 -11.2030 -11.2030 0.0634 0.0634 0.4072 0.4072 1.7487 1.7487 2.2179 2.2179 3.3123 3.3123 3.3833 3.3833 3.7135 3.7135 4.1027 4.1027 4.4821 4.4821 5.4117 5.4117 7.6202 7.6202 12.3050 12.3050 13.5676 13.5676 15.8095 15.8095 k = 0.3081 0.1333 0.3299 ( 2856 PWs) bands (ev): -44.0491 -44.0491 -16.1114 -16.1114 -15.9524 -15.9524 -15.8649 -15.8649 -12.2561 -12.2561 -11.1953 -11.1953 0.0580 0.0580 0.4063 0.4063 1.7361 1.7361 2.1823 2.1823 3.3113 3.3113 3.3813 3.3813 3.7294 3.7294 4.0991 4.0991 4.4754 4.4754 5.4111 5.4111 7.6187 7.6187 12.3462 12.3462 13.6420 13.6420 15.7635 15.7635 k = 0.3180 0.1376 0.3299 ( 2857 PWs) bands (ev): -44.0490 -44.0490 -16.1127 -16.1127 -15.9529 -15.9529 -15.8650 -15.8650 -12.2527 -12.2527 -11.1877 -11.1877 0.0527 0.0527 0.4054 0.4054 1.7240 1.7240 2.1477 2.1477 3.3098 3.3098 3.3801 3.3801 3.7450 3.7450 4.0956 4.0956 4.4683 4.4683 5.4111 5.4111 7.6173 7.6173 12.3858 12.3858 13.7167 13.7167 15.7188 15.7188 k = 0.3280 0.1419 0.3299 ( 2852 PWs) bands (ev): -44.0489 -44.0489 -16.1140 -16.1140 -15.9533 -15.9533 -15.8651 -15.8651 -12.2494 -12.2494 -11.1803 -11.1803 0.0473 0.0473 0.4046 0.4046 1.7125 1.7125 2.1142 2.1142 3.3080 3.3080 3.3794 3.3794 3.7604 3.7604 4.0921 4.0921 4.4608 4.4608 5.4117 5.4117 7.6159 7.6159 12.4235 12.4235 13.7914 13.7914 15.6759 15.6759 k = 0.3379 0.1462 0.3299 ( 2852 PWs) bands (ev): -44.0488 -44.0488 -16.1153 -16.1153 -15.9536 -15.9536 -15.8652 -15.8652 -12.2462 -12.2462 -11.1732 -11.1732 0.0420 0.0420 0.4038 0.4038 1.7017 1.7017 2.0818 2.0818 3.3060 3.3060 3.3793 3.3793 3.7754 3.7754 4.0887 4.0887 4.4531 4.4531 5.4128 5.4128 7.6145 7.6145 12.4594 12.4594 13.8662 13.8662 15.6349 15.6349 k = 0.3479 0.1505 0.3299 ( 2851 PWs) bands (ev): -44.0487 -44.0487 -16.1167 -16.1167 -15.9539 -15.9539 -15.8653 -15.8653 -12.2430 -12.2430 -11.1664 -11.1664 0.0367 0.0367 0.4030 0.4030 1.6915 1.6915 2.0508 2.0508 3.3037 3.3037 3.3797 3.3797 3.7900 3.7900 4.0854 4.0854 4.4452 4.4452 5.4142 5.4142 7.6133 7.6133 12.4931 12.4931 13.9410 13.9410 15.5961 15.5961 k = 0.3578 0.1548 0.3299 ( 2855 PWs) bands (ev): -44.0485 -44.0485 -16.1181 -16.1181 -15.9542 -15.9542 -15.8653 -15.8653 -12.2400 -12.2400 -11.1599 -11.1599 0.0316 0.0316 0.4022 0.4022 1.6821 1.6821 2.0210 2.0210 3.3014 3.3014 3.3803 3.3803 3.8040 3.8040 4.0822 4.0822 4.4374 4.4374 5.4158 5.4158 7.6120 7.6120 12.5247 12.5247 14.0158 14.0158 15.5596 15.5596 k = 0.3677 0.1591 0.3299 ( 2847 PWs) bands (ev): -44.0484 -44.0484 -16.1194 -16.1194 -15.9543 -15.9543 -15.8653 -15.8653 -12.2372 -12.2372 -11.1537 -11.1537 0.0266 0.0266 0.4015 0.4015 1.6734 1.6734 1.9927 1.9927 3.2990 3.2990 3.3813 3.3813 3.8175 3.8175 4.0791 4.0791 4.4296 4.4296 5.4178 5.4178 7.6109 7.6109 12.5542 12.5542 14.0904 14.0904 15.5257 15.5257 k = 0.3777 0.1634 0.3299 ( 2848 PWs) bands (ev): -44.0483 -44.0483 -16.1207 -16.1207 -15.9544 -15.9544 -15.8654 -15.8654 -12.2344 -12.2344 -11.1478 -11.1478 0.0218 0.0218 0.4008 0.4008 1.6655 1.6655 1.9660 1.9660 3.2967 3.2967 3.3824 3.3824 3.8302 3.8302 4.0762 4.0762 4.4221 4.4221 5.4198 5.4198 7.6097 7.6097 12.5813 12.5813 14.1647 14.1647 15.4945 15.4945 k = 0.3876 0.1677 0.3299 ( 2851 PWs) bands (ev): -44.0483 -44.0483 -16.1220 -16.1220 -15.9546 -15.9546 -15.8654 -15.8654 -12.2319 -12.2319 -11.1423 -11.1423 0.0172 0.0172 0.4002 0.4002 1.6583 1.6583 1.9408 1.9408 3.2944 3.2944 3.3836 3.3836 3.8423 3.8423 4.0735 4.0735 4.4147 4.4147 5.4219 5.4219 7.6087 7.6087 12.6061 12.6061 14.2386 14.2386 15.4661 15.4661 k = 0.3976 0.1720 0.3299 ( 2849 PWs) bands (ev): -44.0482 -44.0482 -16.1232 -16.1232 -15.9546 -15.9546 -15.8654 -15.8654 -12.2295 -12.2295 -11.1372 -11.1372 0.0129 0.0129 0.3996 0.3996 1.6520 1.6520 1.9173 1.9173 3.2922 3.2922 3.3848 3.3848 3.8536 3.8536 4.0710 4.0710 4.4077 4.4077 5.4241 5.4241 7.6078 7.6078 12.6286 12.6286 14.3119 14.3119 15.4408 15.4408 k = 0.4075 0.1763 0.3299 ( 2848 PWs) bands (ev): -44.0481 -44.0481 -16.1243 -16.1243 -15.9546 -15.9546 -15.8654 -15.8654 -12.2273 -12.2273 -11.1326 -11.1326 0.0089 0.0089 0.3991 0.3991 1.6465 1.6465 1.8955 1.8955 3.2902 3.2902 3.3861 3.3861 3.8640 3.8640 4.0686 4.0686 4.4011 4.4011 5.4262 5.4262 7.6069 7.6069 12.6488 12.6488 14.3843 14.3843 15.4188 15.4188 k = 0.4174 0.1806 0.3299 ( 2846 PWs) bands (ev): -44.0480 -44.0480 -16.1254 -16.1254 -15.9546 -15.9546 -15.8653 -15.8653 -12.2252 -12.2252 -11.1283 -11.1283 0.0052 0.0052 0.3986 0.3986 1.6417 1.6417 1.8755 1.8755 3.2884 3.2884 3.3873 3.3873 3.8735 3.8735 4.0665 4.0665 4.3950 4.3950 5.4282 5.4282 7.6061 7.6061 12.6666 12.6666 14.4554 14.4554 15.4003 15.4003 k = 0.4274 0.1849 0.3299 ( 2850 PWs) bands (ev): -44.0480 -44.0480 -16.1264 -16.1264 -15.9547 -15.9547 -15.8653 -15.8653 -12.2234 -12.2234 -11.1245 -11.1245 0.0019 0.0019 0.3981 0.3981 1.6377 1.6377 1.8574 1.8574 3.2867 3.2867 3.3884 3.3884 3.8821 3.8821 4.0646 4.0646 4.3895 4.3895 5.4301 5.4301 7.6054 7.6054 12.6822 12.6822 14.5245 14.5245 15.3856 15.3856 k = 0.4373 0.1892 0.3299 ( 2850 PWs) bands (ev): -44.0479 -44.0479 -16.1272 -16.1272 -15.9547 -15.9547 -15.8653 -15.8653 -12.2218 -12.2218 -11.1212 -11.1212 -0.0010 -0.0010 0.3978 0.3978 1.6344 1.6344 1.8413 1.8413 3.2852 3.2852 3.3895 3.3895 3.8896 3.8896 4.0629 4.0629 4.3845 4.3845 5.4318 5.4318 7.6048 7.6048 12.6956 12.6956 14.5907 14.5907 15.3754 15.3754 k = 0.4473 0.1935 0.3299 ( 2850 PWs) bands (ev): -44.0479 -44.0479 -16.1280 -16.1280 -15.9547 -15.9547 -15.8652 -15.8652 -12.2203 -12.2203 -11.1184 -11.1184 -0.0035 -0.0035 0.3974 0.3974 1.6318 1.6318 1.8273 1.8273 3.2840 3.2840 3.3904 3.3904 3.8960 3.8960 4.0615 4.0615 4.3803 4.3803 5.4334 5.4334 7.6042 7.6042 12.7067 12.7067 14.6530 14.6530 15.3704 15.3704 k = 0.4572 0.1978 0.3299 ( 2849 PWs) bands (ev): -44.0478 -44.0478 -16.1286 -16.1286 -15.9546 -15.9546 -15.8652 -15.8652 -12.2191 -12.2191 -11.1161 -11.1161 -0.0056 -0.0056 0.3971 0.3971 1.6298 1.6298 1.8155 1.8155 3.2829 3.2829 3.3912 3.3912 3.9013 3.9013 4.0603 4.0603 4.3767 4.3767 5.4347 5.4347 7.6038 7.6038 12.7157 12.7157 14.7097 14.7097 15.3714 15.3714 k = 0.4671 0.2021 0.3299 ( 2841 PWs) bands (ev): -44.0478 -44.0478 -16.1291 -16.1291 -15.9546 -15.9546 -15.8652 -15.8652 -12.2181 -12.2181 -11.1142 -11.1142 -0.0072 -0.0072 0.3969 0.3969 1.6283 1.6283 1.8060 1.8060 3.2820 3.2820 3.3919 3.3919 3.9054 3.9054 4.0593 4.0593 4.3740 4.3740 5.4359 5.4359 7.6035 7.6035 12.7226 12.7226 14.7586 14.7586 15.3795 15.3795 k = 0.4771 0.2064 0.3299 ( 2841 PWs) bands (ev): -44.0477 -44.0477 -16.1295 -16.1295 -15.9546 -15.9546 -15.8651 -15.8651 -12.2174 -12.2174 -11.1129 -11.1129 -0.0083 -0.0083 0.3968 0.3968 1.6272 1.6272 1.7989 1.7989 3.2814 3.2814 3.3924 3.3924 3.9082 3.9082 4.0586 4.0586 4.3720 4.3720 5.4367 5.4367 7.6032 7.6032 12.7274 12.7274 14.7975 14.7975 15.3958 15.3958 k = 0.4870 0.2107 0.3299 ( 2833 PWs) bands (ev): -44.0477 -44.0477 -16.1297 -16.1297 -15.9545 -15.9545 -15.8651 -15.8651 -12.2169 -12.2169 -11.1121 -11.1121 -0.0089 -0.0089 0.3967 0.3967 1.6265 1.6265 1.7943 1.7943 3.2809 3.2809 3.3927 3.3927 3.9099 3.9099 4.0582 4.0582 4.3709 4.3709 5.4373 5.4373 7.6031 7.6031 12.7301 12.7301 14.8241 14.8241 15.4200 15.4200 k = 0.4969 0.2150 0.3299 ( 2837 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9545 -15.9545 -15.8651 -15.8651 -12.2166 -12.2166 -11.1118 -11.1118 -0.0091 -0.0091 0.3966 0.3966 1.6261 1.6261 1.7922 1.7922 3.2807 3.2807 3.3929 3.3929 3.9103 3.9103 4.0579 4.0579 4.3707 4.3707 5.4376 5.4376 7.6030 7.6030 12.7308 12.7308 14.8367 14.8367 15.4488 15.4488 k = 0.5000 0.2163-0.3243 ( 2842 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9546 -15.9546 -15.8652 -15.8652 -12.2165 -12.2165 -11.1118 -11.1118 -0.0089 -0.0089 0.3966 0.3966 1.6261 1.6261 1.7921 1.7921 3.2807 3.2807 3.3929 3.3929 3.9100 3.9100 4.0579 4.0579 4.3707 4.3707 5.4376 5.4376 7.6030 7.6030 12.7306 12.7306 14.8376 14.8376 15.4703 15.4703 k = 0.5043 0.2063-0.3243 ( 2840 PWs) bands (ev): -44.0477 -44.0477 -16.1298 -16.1298 -15.9545 -15.9545 -15.8653 -15.8653 -12.2159 -12.2159 -11.1118 -11.1118 -0.0079 -0.0079 0.3965 0.3965 1.6268 1.6268 1.7916 1.7916 3.2774 3.2774 3.3932 3.3932 3.9109 3.9109 4.0587 4.0587 4.3710 4.3710 5.4372 5.4372 7.6002 7.6002 12.7315 12.7315 14.8383 14.8383 15.4729 15.4729 k = 0.5087 0.1962-0.3243 ( 2836 PWs) bands (ev): -44.0476 -44.0476 -16.1297 -16.1297 -15.9544 -15.9544 -15.8659 -15.8659 -12.2142 -12.2142 -11.1117 -11.1117 -0.0048 -0.0048 0.3960 0.3960 1.6289 1.6289 1.7899 1.7899 3.2672 3.2672 3.3946 3.3946 3.9136 3.9136 4.0611 4.0611 4.3719 4.3719 5.4360 5.4360 7.5917 7.5917 12.7342 12.7342 14.8403 14.8403 15.4807 15.4807 k = 0.5130 0.1862-0.3243 ( 2840 PWs) bands (ev): -44.0475 -44.0475 -16.1295 -16.1295 -15.9544 -15.9544 -15.8668 -15.8668 -12.2112 -12.2112 -11.1116 -11.1116 0.0004 0.0004 0.3953 0.3953 1.6323 1.6323 1.7872 1.7872 3.2494 3.2494 3.3980 3.3980 3.9180 3.9180 4.0648 4.0648 4.3734 4.3734 5.4340 5.4340 7.5777 7.5777 12.7387 12.7387 14.8436 14.8436 15.4935 15.4935 k = 0.5174 0.1762-0.3243 ( 2844 PWs) bands (ev): -44.0474 -44.0474 -16.1293 -16.1293 -15.9543 -15.9543 -15.8682 -15.8682 -12.2070 -12.2070 -11.1114 -11.1114 0.0076 0.0076 0.3943 0.3943 1.6371 1.6371 1.7835 1.7835 3.2238 3.2238 3.4041 3.4041 3.9240 3.9240 4.0696 4.0696 4.3753 4.3753 5.4311 5.4311 7.5582 7.5582 12.7449 12.7449 14.8482 14.8482 15.5113 15.5113 k = 0.5217 0.1661-0.3243 ( 2838 PWs) bands (ev): -44.0472 -44.0472 -16.1289 -16.1289 -15.9541 -15.9541 -15.8698 -15.8698 -12.2017 -12.2017 -11.1112 -11.1112 0.0168 0.0168 0.3931 0.3931 1.6432 1.6432 1.7788 1.7788 3.1904 3.1904 3.4134 3.4134 3.9316 3.9316 4.0751 4.0751 4.3777 4.3777 5.4275 5.4275 7.5335 7.5335 12.7528 12.7528 14.8542 14.8542 15.5340 15.5340 k = 0.5260 0.1561-0.3243 ( 2840 PWs) bands (ev): -44.0469 -44.0469 -16.1286 -16.1286 -15.9539 -15.9539 -15.8718 -15.8718 -12.1952 -12.1952 -11.1109 -11.1109 0.0281 0.0281 0.3917 0.3917 1.6506 1.6506 1.7732 1.7732 3.1500 3.1500 3.4256 3.4256 3.9407 3.9407 4.0810 4.0810 4.3803 4.3803 5.4229 5.4229 7.5039 7.5039 12.7622 12.7622 14.8614 14.8614 15.5613 15.5613 k = 0.5304 0.1461-0.3243 ( 2838 PWs) bands (ev): -44.0466 -44.0466 -16.1282 -16.1282 -15.9537 -15.9537 -15.8741 -15.8741 -12.1876 -12.1876 -11.1106 -11.1106 0.0414 0.0414 0.3902 0.3902 1.6594 1.6594 1.7668 1.7668 3.1031 3.1031 3.4407 3.4407 3.9509 3.9509 4.0870 4.0870 4.3832 4.3832 5.4176 5.4176 7.4696 7.4696 12.7731 12.7731 14.8699 14.8699 15.5931 15.5931 k = 0.5347 0.1360-0.3243 ( 2838 PWs) bands (ev): -44.0463 -44.0463 -16.1277 -16.1277 -15.9535 -15.9535 -15.8767 -15.8767 -12.1789 -12.1789 -11.1103 -11.1103 0.0566 0.0566 0.3886 0.3886 1.6692 1.6692 1.7597 1.7597 3.0505 3.0505 3.4584 3.4584 3.9623 3.9623 4.0927 4.0927 4.3861 4.3861 5.4114 5.4114 7.4310 7.4310 12.7853 12.7853 14.8796 14.8796 15.6292 15.6292 k = 0.5391 0.1260-0.3243 ( 2840 PWs) bands (ev): -44.0460 -44.0460 -16.1272 -16.1272 -15.9534 -15.9534 -15.8796 -15.8796 -12.1690 -12.1690 -11.1099 -11.1099 0.0738 0.0738 0.3871 0.3871 1.6801 1.6801 1.7522 1.7522 2.9927 2.9927 3.4787 3.4787 3.9745 3.9745 4.0981 4.0981 4.3890 4.3890 5.4043 5.4043 7.3884 7.3884 12.7988 12.7988 14.8906 14.8906 15.6691 15.6691 k = 0.5434 0.1160-0.3243 ( 2840 PWs) bands (ev): -44.0456 -44.0456 -16.1267 -16.1267 -15.9532 -15.9532 -15.8827 -15.8827 -12.1581 -12.1581 -11.1095 -11.1095 0.0929 0.0929 0.3857 0.3857 1.6916 1.6916 1.7447 1.7447 2.9303 2.9303 3.5012 3.5012 3.9874 3.9874 4.1030 4.1030 4.3916 4.3916 5.3963 5.3963 7.3423 7.3423 12.8134 12.8134 14.9029 14.9029 15.7127 15.7127 k = 0.5477 0.1059-0.3243 ( 2846 PWs) bands (ev): -44.0451 -44.0451 -16.1262 -16.1262 -15.9532 -15.9532 -15.8860 -15.8860 -12.1461 -12.1461 -11.1091 -11.1091 0.1139 0.1139 0.3845 0.3845 1.7023 1.7023 1.7388 1.7388 2.8636 2.8636 3.5260 3.5260 4.0007 4.0007 4.1074 4.1074 4.3939 4.3939 5.3875 5.3875 7.2931 7.2931 12.8290 12.8290 14.9163 14.9163 15.7591 15.7591 k = 0.5521 0.0959-0.3243 ( 2846 PWs) bands (ev): -44.0446 -44.0446 -16.1257 -16.1257 -15.9532 -15.9532 -15.8893 -15.8893 -12.1331 -12.1331 -11.1086 -11.1086 0.1366 0.1366 0.3837 0.3837 1.7074 1.7074 1.7392 1.7392 2.7933 2.7933 3.5528 3.5528 4.0142 4.0142 4.1112 4.1112 4.3957 4.3957 5.3778 5.3778 7.2414 7.2414 12.8455 12.8455 14.9309 14.9309 15.7931 15.7931 k = 0.5564 0.0859-0.3243 ( 2844 PWs) bands (ev): -44.0441 -44.0441 -16.1252 -16.1252 -15.9533 -15.9533 -15.8928 -15.8928 -12.1191 -12.1191 -11.1080 -11.1080 0.1611 0.1611 0.3834 0.3834 1.7033 1.7033 1.7495 1.7495 2.7197 2.7197 3.5815 3.5815 4.0274 4.0274 4.1144 4.1144 4.3969 4.3969 5.3673 5.3673 7.1876 7.1876 12.8627 12.8627 14.9467 14.9467 15.8221 15.8221 k = 0.5608 0.0758-0.3243 ( 2846 PWs) bands (ev): -44.0436 -44.0436 -16.1248 -16.1248 -15.9536 -15.9536 -15.8962 -15.8962 -12.1041 -12.1041 -11.1075 -11.1075 0.1871 0.1871 0.3838 0.3838 1.6948 1.6948 1.7651 1.7651 2.6431 2.6431 3.6120 3.6120 4.0402 4.0402 4.1171 4.1171 4.3974 4.3974 5.3558 5.3558 7.1323 7.1323 12.8806 12.8806 14.9635 14.9635 15.8525 15.8525 k = 0.5651 0.0658-0.3243 ( 2844 PWs) bands (ev): -44.0430 -44.0430 -16.1244 -16.1244 -15.9541 -15.9541 -15.8995 -15.8995 -12.0882 -12.0882 -11.1069 -11.1069 0.2145 0.2145 0.3851 0.3851 1.6847 1.6847 1.7832 1.7832 2.5638 2.5638 3.6443 3.6443 4.0520 4.0520 4.1192 4.1192 4.3972 4.3972 5.3434 5.3434 7.0760 7.0760 12.8991 12.8991 14.9815 14.9815 15.8845 15.8845 k = 0.5694 0.0557-0.3243 ( 2842 PWs) bands (ev): -44.0424 -44.0424 -16.1241 -16.1241 -15.9548 -15.9548 -15.9026 -15.9026 -12.0714 -12.0714 -11.1063 -11.1063 0.2428 0.2428 0.3878 0.3878 1.6738 1.6738 1.8029 1.8029 2.4824 2.4824 3.6780 3.6780 4.0626 4.0626 4.1209 4.1209 4.3961 4.3961 5.3302 5.3302 7.0193 7.0193 12.9179 12.9179 15.0005 15.0005 15.9178 15.9178 k = 0.5738 0.0457-0.3243 ( 2840 PWs) bands (ev): -44.0417 -44.0417 -16.1240 -16.1240 -15.9559 -15.9559 -15.9054 -15.9054 -12.0538 -12.0538 -11.1057 -11.1057 0.2714 0.2714 0.3926 0.3926 1.6626 1.6626 1.8238 1.8238 2.3991 2.3991 3.7132 3.7132 4.0714 4.0714 4.1222 4.1222 4.3941 4.3941 5.3161 5.3161 6.9628 6.9628 12.9372 12.9372 15.0205 15.0205 15.9525 15.9525 k = 0.5781 0.0357-0.3243 ( 2846 PWs) bands (ev): -44.0411 -44.0411 -16.1240 -16.1240 -15.9574 -15.9574 -15.9079 -15.9079 -12.0354 -12.0354 -11.1050 -11.1050 0.2992 0.2992 0.4008 0.4008 1.6512 1.6512 1.8457 1.8457 2.3143 2.3143 3.7496 3.7496 4.0781 4.0781 4.1231 4.1231 4.3912 4.3912 5.3011 5.3011 6.9071 6.9071 12.9567 12.9567 15.0415 15.0415 15.9885 15.9885 k = 0.5825 0.0256-0.3243 ( 2844 PWs) bands (ev): -44.0404 -44.0404 -16.1242 -16.1242 -15.9592 -15.9592 -15.9099 -15.9099 -12.0162 -12.0162 -11.1043 -11.1043 0.3240 0.3240 0.4143 0.4143 1.6396 1.6396 1.8682 1.8682 2.2288 2.2288 3.7871 3.7871 4.0823 4.0823 4.1238 4.1238 4.3873 4.3873 5.2853 5.2853 6.8528 6.8528 12.9764 12.9764 15.0635 15.0635 16.0257 16.0257 k = 0.5868 0.0156-0.3243 ( 2842 PWs) bands (ev): -44.0397 -44.0397 -16.1245 -16.1245 -15.9613 -15.9613 -15.9115 -15.9115 -11.9963 -11.9963 -11.1036 -11.1036 0.3438 0.3438 0.4353 0.4353 1.6281 1.6281 1.8902 1.8902 2.1437 2.1437 3.8253 3.8253 4.0835 4.0835 4.1244 4.1244 4.3823 4.3823 5.2687 5.2687 6.8006 6.8006 12.9962 12.9962 15.0863 15.0863 16.0640 16.0640 k = 0.5911 0.0056-0.3243 ( 2840 PWs) bands (ev): -44.0389 -44.0389 -16.1251 -16.1251 -15.9638 -15.9638 -15.9126 -15.9126 -11.9758 -11.9758 -11.1029 -11.1029 0.3586 0.3586 0.4639 0.4639 1.6166 1.6166 1.9082 1.9082 2.0628 2.0628 3.8639 3.8639 4.0815 4.0815 4.1250 4.1250 4.3764 4.3764 5.2513 5.2513 6.7510 6.7510 13.0161 13.0161 15.1100 15.1100 16.1034 16.1034 k = 0.5955-0.0045-0.3243 ( 2842 PWs) bands (ev): -44.0382 -44.0382 -16.1261 -16.1261 -15.9666 -15.9666 -15.9133 -15.9133 -11.9547 -11.9547 -11.1022 -11.1022 0.3700 0.3700 0.4983 0.4983 1.6051 1.6051 1.9033 1.9033 2.0053 2.0053 3.9021 3.9021 4.0756 4.0756 4.1262 4.1262 4.3694 4.3694 5.2331 5.2331 6.7046 6.7046 13.0360 13.0360 15.1345 15.1345 16.1439 16.1439 k = 0.5998-0.0145-0.3243 ( 2840 PWs) bands (ev): -44.0374 -44.0374 -16.1273 -16.1273 -15.9694 -15.9694 -15.9136 -15.9136 -11.9330 -11.9330 -11.1015 -11.1015 0.3801 0.3801 0.5366 0.5366 1.5938 1.5938 1.8448 1.8448 2.0022 2.0022 3.9390 3.9390 4.0657 4.0657 4.1290 4.1290 4.3613 4.3613 5.2141 5.2141 6.6619 6.6619 13.0558 13.0558 15.1597 15.1597 16.1854 16.1854 k = 0.6042-0.0245-0.3243 ( 2838 PWs) bands (ev): -44.0366 -44.0366 -16.1289 -16.1289 -15.9723 -15.9723 -15.9136 -15.9136 -11.9109 -11.9109 -11.1007 -11.1007 0.3899 0.3899 0.5775 0.5775 1.5826 1.5826 1.7631 1.7631 2.0234 2.0234 3.9725 3.9725 4.0511 4.0511 4.1351 4.1351 4.3523 4.3523 5.1945 5.1945 6.6234 6.6234 13.0756 13.0756 15.1856 15.1856 16.2280 16.2280 k = 0.6085-0.0346-0.3243 ( 2834 PWs) bands (ev): -44.0358 -44.0358 -16.1308 -16.1308 -15.9751 -15.9751 -15.9132 -15.9132 -11.8883 -11.8883 -11.1000 -11.1000 0.4001 0.4001 0.6205 0.6205 1.5712 1.5712 1.6771 1.6771 2.0507 2.0507 3.9993 3.9993 4.0321 4.0321 4.1474 4.1474 4.3424 4.3424 5.1742 5.1742 6.5894 6.5894 13.0953 13.0953 15.2122 15.2122 16.2715 16.2715 k = 0.6129-0.0446-0.3243 ( 2838 PWs) bands (ev): -44.0351 -44.0351 -16.1333 -16.1333 -15.9778 -15.9778 -15.9127 -15.9127 -11.8654 -11.8654 -11.0992 -11.0992 0.4112 0.4112 0.6648 0.6648 1.5563 1.5563 1.5939 1.5939 2.0804 2.0804 4.0037 4.0037 4.0212 4.0212 4.1685 4.1685 4.3317 4.3317 5.1533 5.1533 6.5604 6.5604 13.1149 13.1149 15.2393 15.2393 16.3161 16.3161 k = 0.6172-0.0546-0.3243 ( 2840 PWs) bands (ev): -44.0342 -44.0342 -16.1361 -16.1361 -15.9803 -15.9803 -15.9119 -15.9119 -11.8423 -11.8423 -11.0985 -11.0985 0.4232 0.4232 0.7101 0.7101 1.4967 1.4967 1.5565 1.5565 2.1117 2.1117 3.9750 3.9750 4.0285 4.0285 4.1983 4.1983 4.3206 4.3206 5.1318 5.1318 6.5364 6.5364 13.1344 13.1344 15.2668 15.2668 16.3616 16.3616 k = 0.6215-0.0647-0.3243 ( 2841 PWs) bands (ev): -44.0334 -44.0334 -16.1393 -16.1393 -15.9825 -15.9825 -15.9110 -15.9110 -11.8189 -11.8189 -11.0978 -11.0978 0.4365 0.4365 0.7556 0.7556 1.4131 1.4131 1.5450 1.5450 2.1441 2.1441 3.9396 3.9396 4.0298 4.0298 4.2330 4.2330 4.3106 4.3106 5.1099 5.1099 6.5176 6.5176 13.1537 13.1537 15.2948 15.2948 16.4081 16.4081 k = 0.6259-0.0747-0.3243 ( 2843 PWs) bands (ev): -44.0326 -44.0326 -16.1430 -16.1430 -15.9844 -15.9844 -15.9100 -15.9100 -11.7954 -11.7954 -11.0970 -11.0970 0.4510 0.4510 0.8003 0.8003 1.3310 1.3310 1.5354 1.5354 2.1775 2.1775 3.8987 3.8987 4.0262 4.0262 4.2622 4.2622 4.3097 4.3097 5.0876 5.0876 6.5040 6.5040 13.1728 13.1728 15.3230 15.3230 16.4557 16.4557 k = 0.6302-0.0847-0.3243 ( 2847 PWs) bands (ev): -44.0318 -44.0318 -16.1470 -16.1470 -15.9860 -15.9860 -15.9089 -15.9089 -11.7719 -11.7719 -11.0963 -11.0963 0.4670 0.4670 0.8420 0.8420 1.2537 1.2537 1.5266 1.5266 2.2117 2.2117 3.8526 3.8526 4.0191 4.0191 4.2648 4.2648 4.3374 4.3374 5.0649 5.0649 6.4953 6.4953 13.1919 13.1919 15.3514 15.3514 16.5042 16.5042 k = 0.6346-0.0948-0.3243 ( 2851 PWs) bands (ev): -44.0310 -44.0310 -16.1514 -16.1514 -15.9873 -15.9873 -15.9077 -15.9077 -11.7483 -11.7483 -11.0956 -11.0956 0.4844 0.4844 0.8756 0.8756 1.1867 1.1867 1.5184 1.5184 2.2467 2.2467 3.8017 3.8017 4.0092 4.0092 4.2533 4.2533 4.3802 4.3802 5.0419 5.0419 6.4915 6.4915 13.2109 13.2109 15.3799 15.3799 16.5538 16.5538 k = 0.6389-0.1048-0.3243 ( 2849 PWs) bands (ev): -44.0302 -44.0302 -16.1561 -16.1561 -15.9882 -15.9882 -15.9064 -15.9064 -11.7249 -11.7249 -11.0949 -11.0949 0.5034 0.5034 0.8897 0.8897 1.1418 1.1418 1.5109 1.5109 2.2824 2.2824 3.7461 3.7461 3.9967 3.9967 4.2386 4.2386 4.4269 4.4269 5.0188 5.0188 6.4923 6.4923 13.2297 13.2297 15.4082 15.4082 16.6044 16.6044 k = 0.6432-0.1148-0.3243 ( 2849 PWs) bands (ev): -44.0294 -44.0294 -16.1611 -16.1611 -15.9888 -15.9888 -15.9051 -15.9051 -11.7017 -11.7017 -11.0942 -11.0942 0.5238 0.5238 0.8699 0.8699 1.1334 1.1334 1.5040 1.5040 2.3186 2.3186 3.6864 3.6864 3.9818 3.9818 4.2228 4.2228 4.4751 4.4751 4.9956 4.9956 6.4972 6.4972 13.2486 13.2486 15.4362 15.4362 16.6559 16.6559 k = 0.6476-0.1249-0.3243 ( 2857 PWs) bands (ev): -44.0287 -44.0287 -16.1664 -16.1664 -15.9891 -15.9891 -15.9037 -15.9037 -11.6787 -11.6787 -11.0936 -11.0936 0.5456 0.5456 0.8206 0.8206 1.1574 1.1574 1.4978 1.4978 2.3554 2.3554 3.6229 3.6229 3.9645 3.9645 4.2064 4.2064 4.5241 4.5241 4.9724 4.9724 6.5060 6.5060 13.2675 13.2675 15.4637 15.4637 16.6831 16.6831 k = 0.6519-0.1349-0.3243 ( 2857 PWs) bands (ev): -44.0279 -44.0279 -16.1718 -16.1718 -15.9892 -15.9892 -15.9023 -15.9023 -11.6560 -11.6560 -11.0929 -11.0929 0.5684 0.5684 0.7578 0.7578 1.1983 1.1983 1.4924 1.4924 2.3925 2.3925 3.5559 3.5559 3.9447 3.9447 4.1897 4.1897 4.5736 4.5736 4.9493 4.9493 6.5183 6.5183 13.2864 13.2864 15.4904 15.4904 16.6694 16.6694 k = 0.6563-0.1449-0.3243 ( 2861 PWs) bands (ev): -44.0272 -44.0272 -16.1774 -16.1774 -15.9890 -15.9890 -15.9009 -15.9009 -11.6338 -11.6338 -11.0923 -11.0923 0.5899 0.5899 0.6932 0.6932 1.2467 1.2467 1.4878 1.4878 2.4301 2.4301 3.4860 3.4860 3.9224 3.9224 4.1729 4.1729 4.6231 4.6231 4.9266 4.9266 6.5335 6.5335 13.3055 13.3055 15.5158 15.5158 16.6499 16.6499 k = 0.6606-0.1550-0.3243 ( 2869 PWs) bands (ev): -44.0265 -44.0265 -16.1831 -16.1831 -15.9887 -15.9887 -15.8995 -15.8995 -11.6121 -11.6121 -11.0917 -11.0917 0.5899 0.5899 0.6508 0.6508 1.2987 1.2987 1.4843 1.4843 2.4678 2.4678 3.4135 3.4135 3.8976 3.8976 4.1561 4.1561 4.6723 4.6723 4.9045 4.9045 6.5514 6.5514 13.3248 13.3248 15.5396 15.5396 16.6251 16.6251 k = 0.6649-0.1650-0.3243 ( 2861 PWs) bands (ev): -44.0257 -44.0257 -16.1887 -16.1887 -15.9881 -15.9881 -15.8981 -15.8981 -11.5910 -11.5910 -11.0912 -11.0912 0.5366 0.5366 0.6642 0.6642 1.3519 1.3519 1.4825 1.4825 2.5058 2.5058 3.3389 3.3389 3.8701 3.8701 4.1394 4.1394 4.7206 4.7206 4.8835 4.8835 6.5714 6.5714 13.3443 13.3443 15.5611 15.5611 16.5959 16.5959 k = 0.6693-0.1750-0.3243 ( 2863 PWs) bands (ev): -44.0251 -44.0251 -16.1944 -16.1944 -15.9874 -15.9874 -15.8967 -15.8967 -11.5706 -11.5706 -11.0906 -11.0906 0.4718 0.4718 0.6926 0.6926 1.4034 1.4034 1.4845 1.4845 2.5438 2.5438 3.2625 3.2625 3.8402 3.8402 4.1229 4.1229 4.7660 4.7660 4.8656 4.8656 6.5934 6.5934 13.3643 13.3643 15.5798 15.5798 16.5632 16.5632 k = 0.6736-0.1851-0.3243 ( 2861 PWs) bands (ev): -44.0244 -44.0244 -16.2000 -16.2000 -15.9866 -15.9866 -15.8952 -15.8952 -11.5509 -11.5509 -11.0901 -11.0901 0.4073 0.4073 0.7249 0.7249 1.4430 1.4430 1.5000 1.5000 2.5818 2.5818 3.1846 3.1846 3.8079 3.8079 4.1065 4.1065 4.7989 4.7989 4.8602 4.8602 6.6168 6.6168 13.3847 13.3847 15.5947 15.5947 16.5281 16.5281 k = 0.6780-0.1951-0.3243 ( 2863 PWs) bands (ev): -44.0238 -44.0238 -16.2054 -16.2054 -15.9857 -15.9857 -15.8939 -15.8939 -11.5321 -11.5321 -11.0896 -11.0896 0.3446 0.3446 0.7597 0.7597 1.4575 1.4575 1.5417 1.5417 2.6196 2.6196 3.1058 3.1058 3.7732 3.7732 4.0901 4.0901 4.7996 4.7996 4.8872 4.8872 6.6413 6.6413 13.4057 13.4057 15.6048 15.6048 16.4918 16.4918 k = 0.6823-0.2051-0.3243 ( 2857 PWs) bands (ev): -44.0232 -44.0232 -16.2107 -16.2107 -15.9847 -15.9847 -15.8925 -15.8925 -11.5142 -11.5142 -11.0892 -11.0892 0.2846 0.2846 0.7966 0.7966 1.4614 1.4614 1.5951 1.5951 2.6570 2.6570 3.0262 3.0262 3.7365 3.7365 4.0739 4.0739 4.7844 4.7844 4.9300 4.9300 6.6667 6.6667 13.4273 13.4273 15.6089 15.6089 16.4556 16.4556 k = 0.6866-0.2152-0.3243 ( 2857 PWs) bands (ev): -44.0226 -44.0226 -16.2159 -16.2159 -15.9836 -15.9836 -15.8912 -15.8912 -11.4973 -11.4973 -11.0888 -11.0888 0.2274 0.2274 0.8356 0.8356 1.4632 1.4632 1.6510 1.6510 2.6938 2.6938 2.9465 2.9465 3.6979 3.6979 4.0577 4.0577 4.7665 4.7665 4.9756 4.9756 6.6926 6.6926 13.4498 13.4498 15.6057 15.6057 16.4207 16.4207 k = 0.3134-0.7244-0.0000 ( 2857 PWs) bands (ev): -44.0226 -44.0226 -16.2159 -16.2159 -15.9836 -15.9836 -15.8912 -15.8912 -11.4973 -11.4973 -11.0888 -11.0888 0.2274 0.2274 0.8356 0.8356 1.4632 1.4632 1.6510 1.6510 2.6938 2.6938 2.9465 2.9465 3.6979 3.6979 4.0577 4.0577 4.7665 4.7665 4.9756 4.9756 6.6926 6.6926 13.4498 13.4498 15.6057 15.6057 16.4207 16.4207 k = 0.3090-0.7143-0.0000 ( 2853 PWs) bands (ev): -44.0220 -44.0220 -16.2209 -16.2209 -15.9825 -15.9825 -15.8898 -15.8898 -11.4815 -11.4815 -11.0884 -11.0884 0.1733 0.1733 0.8767 0.8767 1.4650 1.4650 1.7077 1.7077 2.7287 2.7287 2.8677 2.8677 3.6574 3.6574 4.0414 4.0414 4.7483 4.7483 5.0214 5.0214 6.7188 6.7188 13.4732 13.4732 15.5940 15.5940 16.3879 16.3879 k = 0.3047-0.7043 0.0000 ( 2851 PWs) bands (ev): -44.0215 -44.0215 -16.2256 -16.2256 -15.9814 -15.9814 -15.8886 -15.8886 -11.4668 -11.4668 -11.0880 -11.0880 0.1226 0.1226 0.9197 0.9197 1.4671 1.4671 1.7640 1.7640 2.7498 2.7498 2.8021 2.8021 3.6155 3.6155 4.0252 4.0252 4.7305 4.7305 5.0667 5.0667 6.7450 6.7450 13.4977 13.4977 15.5728 15.5728 16.3579 16.3579 k = 0.3003-0.6942 0.0000 ( 2855 PWs) bands (ev): -44.0211 -44.0211 -16.2301 -16.2301 -15.9803 -15.9803 -15.8874 -15.8874 -11.4534 -11.4534 -11.0877 -11.0877 0.0755 0.0755 0.9646 0.9646 1.4700 1.4700 1.8195 1.8195 2.6950 2.6950 2.8119 2.8119 3.5725 3.5725 4.0089 4.0089 4.7134 4.7134 5.1111 5.1111 6.7710 6.7710 13.5233 13.5233 15.5416 15.5416 16.3306 16.3306 k = 0.2960-0.6842 0.0000 ( 2845 PWs) bands (ev): -44.0206 -44.0206 -16.2342 -16.2342 -15.9791 -15.9791 -15.8862 -15.8862 -11.4413 -11.4413 -11.0874 -11.0874 0.0320 0.0320 1.0114 1.0114 1.4736 1.4736 1.8737 1.8737 2.6174 2.6174 2.8440 2.8440 3.5287 3.5287 3.9927 3.9927 4.6972 4.6972 5.1543 5.1543 6.7966 6.7966 13.5502 13.5502 15.5004 15.5004 16.3052 16.3052 k = 0.2916-0.6741-0.0000 ( 2843 PWs) bands (ev): -44.0202 -44.0202 -16.2381 -16.2381 -15.9780 -15.9780 -15.8851 -15.8851 -11.4305 -11.4305 -11.0872 -11.0872 -0.0076 -0.0076 1.0600 1.0600 1.4781 1.4781 1.9262 1.9262 2.5384 2.5384 2.8770 2.8770 3.4844 3.4844 3.9766 3.9766 4.6820 4.6820 5.1963 5.1963 6.8215 6.8215 13.5786 13.5786 15.4495 15.4495 16.2803 16.2803 k = 0.2872-0.6640-0.0000 ( 2841 PWs) bands (ev): -44.0199 -44.0199 -16.2417 -16.2417 -15.9770 -15.9770 -15.8840 -15.8840 -11.4212 -11.4212 -11.0870 -11.0870 -0.0434 -0.0434 1.1103 1.1103 1.4836 1.4836 1.9764 1.9764 2.4597 2.4597 2.9093 2.9093 3.4403 3.4403 3.9606 3.9606 4.6679 4.6679 5.2368 5.2368 6.8457 6.8457 13.6084 13.6084 15.3900 15.3900 16.2543 16.2543 k = 0.2829-0.6540 0.0000 ( 2839 PWs) bands (ev): -44.0196 -44.0196 -16.2449 -16.2449 -15.9759 -15.9759 -15.8830 -15.8830 -11.4134 -11.4134 -11.0868 -11.0868 -0.0750 -0.0750 1.1621 1.1621 1.4902 1.4902 2.0238 2.0238 2.3817 2.3817 2.9404 2.9404 3.3966 3.3966 3.9448 3.9448 4.6551 4.6551 5.2757 5.2757 6.8688 6.8688 13.6400 13.6400 15.3227 15.3227 16.2259 16.2259 k = 0.2785-0.6439 0.0000 ( 2837 PWs) bands (ev): -44.0193 -44.0193 -16.2477 -16.2477 -15.9749 -15.9749 -15.8820 -15.8820 -11.4071 -11.4071 -11.0867 -11.0867 -0.1026 -0.1026 1.2152 1.2152 1.4981 1.4981 2.0676 2.0676 2.3048 2.3048 2.9700 2.9700 3.3542 3.3542 3.9295 3.9295 4.6435 4.6435 5.3128 5.3128 6.8909 6.8909 13.6732 13.6732 15.2486 15.2486 16.1942 16.1942 k = 0.2742-0.6339-0.0000 ( 2833 PWs) bands (ev): -44.0191 -44.0191 -16.2502 -16.2502 -15.9739 -15.9739 -15.8811 -15.8811 -11.4024 -11.4024 -11.0866 -11.0866 -0.1260 -0.1260 1.2692 1.2692 1.5075 1.5075 2.1069 2.1069 2.2293 2.2293 2.9980 2.9980 3.3137 3.3137 3.9146 3.9146 4.6333 4.6333 5.3482 5.3482 6.9118 6.9118 13.7084 13.7084 15.1687 15.1687 16.1591 16.1591 k = 0.2698-0.6238-0.0000 ( 2837 PWs) bands (ev): -44.0189 -44.0189 -16.2523 -16.2523 -15.9731 -15.9731 -15.8803 -15.8803 -11.3993 -11.3993 -11.0865 -11.0865 -0.1452 -0.1452 1.3234 1.3234 1.5190 1.5190 2.1386 2.1386 2.1576 2.1576 3.0242 3.0242 3.2758 3.2758 3.9003 3.9003 4.6246 4.6246 5.3816 5.3816 6.9313 6.9313 13.7455 13.7455 15.0839 15.0839 16.1209 16.1209 k = 0.2655-0.6137 0.0000 ( 2839 PWs) bands (ev): -44.0188 -44.0188 -16.2540 -16.2540 -15.9723 -15.9723 -15.8796 -15.8796 -11.3978 -11.3978 -11.0865 -11.0865 -0.1601 -0.1601 1.3764 1.3764 1.5336 1.5336 2.0821 2.0821 2.1700 2.1700 3.0486 3.0486 3.2414 3.2414 3.8868 3.8868 4.6174 4.6174 5.4129 5.4129 6.9493 6.9493 13.7847 13.7847 14.9947 14.9947 16.0805 16.0805 k = 0.2611-0.6037-0.0000 ( 2847 PWs) bands (ev): -44.0187 -44.0187 -16.2553 -16.2553 -15.9716 -15.9716 -15.8789 -15.8789 -11.3980 -11.3980 -11.0865 -11.0865 -0.1706 -0.1706 1.4257 1.4257 1.5533 1.5533 2.0129 2.0129 2.1903 2.1903 3.0712 3.0712 3.2112 3.2112 3.8743 3.8743 4.6119 4.6119 5.4421 5.4421 6.9658 6.9658 13.8259 13.8259 14.9019 14.9019 16.0389 16.0389 k = 0.2568-0.5936-0.0000 ( 2853 PWs) bands (ev): -44.0187 -44.0187 -16.2563 -16.2563 -15.9709 -15.9709 -15.8783 -15.8783 -11.3998 -11.3998 -11.0866 -11.0866 -0.1769 -0.1769 1.4673 1.4673 1.5810 1.5810 1.9475 1.9475 2.2025 2.2025 3.0922 3.0922 3.1859 3.1859 3.8629 3.8629 4.6081 4.6081 5.4691 5.4691 6.9807 6.9807 13.8693 13.8693 14.8060 14.8060 15.9968 15.9968 k = 0.2524-0.5835-0.0000 ( 2849 PWs) bands (ev): -44.0187 -44.0187 -16.2567 -16.2567 -15.9703 -15.9703 -15.8778 -15.8778 -11.4034 -11.4034 -11.0867 -11.0867 -0.1787 -0.1787 1.4982 1.4982 1.6162 1.6162 1.8892 1.8892 2.2056 2.2056 3.1114 3.1114 3.1660 3.1660 3.8527 3.8527 4.6062 4.6062 5.4937 5.4937 6.9939 6.9939 13.9148 13.9148 14.7074 14.7074 15.9552 15.9552 k = 0.2481-0.5735 0.0000 ( 2849 PWs) bands (ev): -44.0187 -44.0187 -16.2567 -16.2567 -15.9697 -15.9697 -15.8773 -15.8773 -11.4086 -11.4086 -11.0868 -11.0868 -0.1762 -0.1762 1.5202 1.5202 1.6481 1.6481 1.8473 1.8473 2.1993 2.1993 3.1268 3.1268 3.1539 3.1539 3.8439 3.8439 4.6061 4.6061 5.5159 5.5159 7.0055 7.0055 13.9625 13.9625 14.6067 14.6067 15.9145 15.9145 k = 0.2437-0.5634-0.0000 ( 2849 PWs) bands (ev): -44.0188 -44.0188 -16.2563 -16.2563 -15.9693 -15.9693 -15.8769 -15.8769 -11.4155 -11.4155 -11.0870 -11.0870 -0.1693 -0.1693 1.5355 1.5355 1.6542 1.6542 1.8421 1.8421 2.1835 2.1835 3.1272 3.1272 3.1604 3.1604 3.8365 3.8365 4.6081 4.6081 5.5357 5.5357 7.0152 7.0152 14.0124 14.0124 14.5041 14.5041 15.8754 15.8754 k = 0.2394-0.5534-0.0000 ( 2855 PWs) bands (ev): -44.0190 -44.0190 -16.2555 -16.2555 -15.9690 -15.9690 -15.8766 -15.8766 -11.4240 -11.4240 -11.0872 -11.0872 -0.1581 -0.1581 1.5417 1.5417 1.6320 1.6320 1.8784 1.8784 2.1590 2.1590 3.1183 3.1183 3.1795 3.1795 3.8304 3.8304 4.6120 4.6120 5.5530 5.5530 7.0232 7.0232 14.0642 14.0642 14.3999 14.3999 15.8381 15.8381 k = 0.2350-0.5433 0.0000 ( 2857 PWs) bands (ev): -44.0192 -44.0192 -16.2543 -16.2543 -15.9687 -15.9687 -15.8764 -15.8764 -11.4341 -11.4341 -11.0875 -11.0875 -0.1427 -0.1427 1.5256 1.5256 1.6149 1.6149 1.9360 1.9360 2.1265 2.1265 3.1082 3.1082 3.2022 3.2022 3.8257 3.8257 4.6181 4.6181 5.5677 5.5677 7.0294 7.0294 14.1180 14.1180 14.2945 14.2945 15.8029 15.8029 k = 0.2307-0.5332 0.0000 ( 2863 PWs) bands (ev): -44.0194 -44.0194 -16.2526 -16.2526 -15.9685 -15.9685 -15.8763 -15.8763 -11.4459 -11.4459 -11.0878 -11.0878 -0.1230 -0.1230 1.4842 1.4842 1.6182 1.6182 2.0027 2.0027 2.0872 2.0872 3.0970 3.0970 3.2273 3.2273 3.8222 3.8222 4.6262 4.6262 5.5799 5.5799 7.0339 7.0339 14.1721 14.1721 14.1896 14.1896 15.7699 15.7699 k = 0.2263-0.5232-0.0000 ( 2865 PWs) bands (ev): -44.0197 -44.0197 -16.2506 -16.2506 -15.9683 -15.9683 -15.8762 -15.8762 -11.4592 -11.4592 -11.0881 -11.0881 -0.0992 -0.0992 1.4327 1.4327 1.6306 1.6306 2.0420 2.0420 2.0744 2.0744 3.0844 3.0844 3.2542 3.2542 3.8199 3.8199 4.6365 4.6365 5.5894 5.5894 7.0366 7.0366 14.0805 14.0805 14.2311 14.2311 15.7392 15.7392 k = 0.2220-0.5131-0.0000 ( 2867 PWs) bands (ev): -44.0201 -44.0201 -16.2481 -16.2481 -15.9683 -15.9683 -15.8761 -15.8761 -11.4740 -11.4740 -11.0884 -11.0884 -0.0712 -0.0712 1.3789 1.3789 1.6463 1.6463 1.9925 1.9925 2.1490 2.1490 3.0700 3.0700 3.2826 3.2826 3.8186 3.8186 4.6488 4.6488 5.5963 5.5963 7.0375 7.0375 13.9728 13.9728 14.2895 14.2895 15.7108 15.7108 k = 0.2176-0.5031-0.0000 ( 2871 PWs) bands (ev): -44.0204 -44.0204 -16.2453 -16.2453 -15.9683 -15.9683 -15.8762 -15.8762 -11.4903 -11.4903 -11.0888 -11.0888 -0.0393 -0.0393 1.3249 1.3249 1.6636 1.6636 1.9393 1.9393 2.2261 2.2261 3.0536 3.0536 3.3118 3.3118 3.8183 3.8183 4.6631 4.6631 5.6007 5.6007 7.0368 7.0368 13.8646 13.8646 14.3489 14.3489 15.6849 15.6849 k = 0.2133-0.4930-0.0000 ( 2871 PWs) bands (ev): -44.0209 -44.0209 -16.2420 -16.2420 -15.9683 -15.9683 -15.8763 -15.8763 -11.5080 -11.5080 -11.0893 -11.0893 -0.0036 -0.0036 1.2717 1.2717 1.6815 1.6815 1.8837 1.8837 2.3050 2.3050 3.0353 3.0353 3.3412 3.3412 3.8188 3.8188 4.6794 4.6794 5.6024 5.6024 7.0344 7.0344 13.7561 13.7561 14.4089 14.4089 15.6612 15.6612 k = 0.2089-0.4829-0.0000 ( 2869 PWs) bands (ev): -44.0213 -44.0213 -16.2384 -16.2384 -15.9684 -15.9684 -15.8764 -15.8764 -11.5271 -11.5271 -11.0897 -11.0897 0.0359 0.0359 1.2198 1.2198 1.6989 1.6989 1.8273 1.8273 2.3854 2.3854 3.0152 3.0152 3.3703 3.3703 3.8202 3.8202 4.6976 4.6976 5.6015 5.6015 7.0305 7.0305 13.6475 13.6475 14.4691 14.4691 15.6398 15.6398 k = 0.2046-0.4729 0.0000 ( 2863 PWs) bands (ev): -44.0218 -44.0218 -16.2344 -16.2344 -15.9685 -15.9685 -15.8766 -15.8766 -11.5474 -11.5474 -11.0902 -11.0902 0.0790 0.0790 1.1694 1.1694 1.7095 1.7095 1.7771 1.7771 2.4671 2.4671 2.9936 2.9936 3.3986 3.3986 3.8226 3.8226 4.7174 4.7174 5.5981 5.5981 7.0251 7.0251 13.5388 13.5388 14.5287 14.5287 15.6206 15.6206 k = 0.2002-0.4628 0.0000 ( 2861 PWs) bands (ev): -44.0223 -44.0223 -16.2300 -16.2300 -15.9687 -15.9687 -15.8768 -15.8768 -11.5690 -11.5690 -11.0907 -11.0907 0.1255 0.1255 1.1207 1.1207 1.6835 1.6835 1.7632 1.7632 2.5499 2.5499 2.9705 2.9705 3.4254 3.4254 3.8260 3.8260 4.7388 4.7388 5.5921 5.5921 7.0184 7.0184 13.4302 13.4302 14.5873 14.5873 15.6035 15.6035 k = 0.1959-0.4528-0.0000 ( 2861 PWs) bands (ev): -44.0229 -44.0229 -16.2254 -16.2254 -15.9690 -15.9690 -15.8772 -15.8772 -11.5917 -11.5917 -11.0913 -11.0913 0.1751 0.1751 1.0736 1.0736 1.6281 1.6281 1.7790 1.7790 2.6333 2.6333 2.9464 2.9464 3.4503 3.4503 3.8306 3.8306 4.7616 4.7616 5.5837 5.5837 7.0103 7.0103 13.3218 13.3218 14.6440 14.6440 15.5884 15.5884 k = 0.1915-0.4427-0.0000 ( 2859 PWs) bands (ev): -44.0235 -44.0235 -16.2204 -16.2204 -15.9692 -15.9692 -15.8775 -15.8775 -11.6154 -11.6154 -11.0919 -11.0919 0.2276 0.2276 1.0283 1.0283 1.5675 1.5675 1.8007 1.8007 2.7168 2.7168 2.9220 2.9220 3.4729 3.4729 3.8366 3.8366 4.7856 4.7856 5.5729 5.5729 7.0012 7.0012 13.2135 13.2135 14.6980 14.6980 15.5753 15.5753 k = 0.1871-0.4326 0.0000 ( 2857 PWs) bands (ev): -44.0242 -44.0242 -16.2152 -16.2152 -15.9695 -15.9695 -15.8780 -15.8780 -11.6401 -11.6401 -11.0925 -11.0925 0.2827 0.2827 0.9849 0.9849 1.5059 1.5059 1.8244 1.8244 2.7979 2.7979 2.8997 2.8997 3.4927 3.4927 3.8442 3.8442 4.8108 4.8108 5.5596 5.5596 6.9910 6.9910 13.1056 13.1056 14.7484 14.7484 15.5640 15.5640 k = 0.1828-0.4226-0.0000 ( 2853 PWs) bands (ev): -44.0248 -44.0248 -16.2097 -16.2097 -15.9698 -15.9698 -15.8784 -15.8784 -11.6658 -11.6658 -11.0932 -11.0932 0.3397 0.3397 0.9433 0.9433 1.4447 1.4447 1.8495 1.8495 2.8466 2.8466 2.9095 2.9095 3.5097 3.5097 3.8534 3.8534 4.8368 4.8368 5.5442 5.5442 6.9799 6.9799 12.9980 12.9980 14.7944 14.7944 15.5544 15.5544 k = 0.1784-0.4125 0.0000 ( 2855 PWs) bands (ev): -44.0255 -44.0255 -16.2040 -16.2040 -15.9701 -15.9701 -15.8789 -15.8789 -11.6922 -11.6922 -11.0939 -11.0939 0.3981 0.3981 0.9038 0.9038 1.3848 1.3848 1.8756 1.8756 2.8303 2.8303 2.9838 2.9838 3.5235 3.5235 3.8643 3.8643 4.8637 4.8637 5.5264 5.5264 6.9682 6.9682 12.8908 12.8908 14.8350 14.8350 15.5464 15.5464 k = 0.1741-0.4024 0.0000 ( 2857 PWs) bands (ev): -44.0263 -44.0263 -16.1982 -16.1982 -15.9703 -15.9703 -15.8795 -15.8795 -11.7194 -11.7194 -11.0946 -11.0946 0.4569 0.4569 0.8663 0.8663 1.3272 1.3272 1.9027 1.9027 2.8040 2.8040 3.0679 3.0679 3.5342 3.5342 3.8769 3.8769 4.8911 4.8911 5.5066 5.5066 6.9560 6.9560 12.7840 12.7840 14.8694 14.8694 15.5399 15.5399 k = 0.1697-0.3924 0.0000 ( 2863 PWs) bands (ev): -44.0271 -44.0271 -16.1922 -16.1922 -15.9705 -15.9705 -15.8801 -15.8801 -11.7472 -11.7472 -11.0953 -11.0953 0.5144 0.5144 0.8312 0.8312 1.2734 1.2734 1.9306 1.9306 2.7759 2.7759 3.1532 3.1532 3.5420 3.5420 3.8910 3.8910 4.9189 4.9189 5.4846 5.4846 6.9435 6.9435 12.6777 12.6777 14.8968 14.8968 15.5348 15.5348 k = 0.1654-0.3823-0.0000 ( 2869 PWs) bands (ev): -44.0279 -44.0279 -16.1861 -16.1861 -15.9707 -15.9707 -15.8807 -15.8807 -11.7756 -11.7756 -11.0961 -11.0961 0.5681 0.5681 0.7989 0.7989 1.2253 1.2253 1.9594 1.9594 2.7472 2.7472 3.2386 3.2386 3.5472 3.5472 3.9064 3.9064 4.9471 4.9471 5.4607 5.4607 6.9308 6.9308 12.5719 12.5719 14.9167 14.9167 15.5310 15.5310 k = 0.1610-0.3723-0.0000 ( 2873 PWs) bands (ev): -44.0287 -44.0287 -16.1799 -16.1799 -15.9708 -15.9708 -15.8813 -15.8813 -11.8044 -11.8044 -11.0968 -11.0968 0.6132 0.6132 0.7707 0.7707 1.1866 1.1866 1.9890 1.9890 2.7182 2.7182 3.3235 3.3235 3.5500 3.5500 3.9227 3.9227 4.9755 4.9755 5.4349 5.4349 6.9183 6.9183 12.4666 12.4666 14.9288 14.9288 15.5283 15.5283 k = 0.1567-0.3622 0.0000 ( 2871 PWs) bands (ev): -44.0295 -44.0295 -16.1735 -16.1735 -15.9708 -15.9708 -15.8819 -15.8819 -11.8337 -11.8337 -11.0976 -11.0976 0.6420 0.6420 0.7492 0.7492 1.1622 1.1622 2.0194 2.0194 2.6892 2.6892 3.4077 3.4077 3.5509 3.5509 3.9396 3.9396 5.0039 5.0039 5.4073 5.4073 6.9063 6.9063 12.3620 12.3620 14.9329 14.9329 15.5267 15.5267 k = 0.1523-0.3521-0.0000 ( 2875 PWs) bands (ev): -44.0303 -44.0303 -16.1673 -16.1673 -15.9706 -15.9706 -15.8826 -15.8826 -11.8632 -11.8632 -11.0984 -11.0984 0.6469 0.6469 0.7356 0.7356 1.1584 1.1584 2.0505 2.0505 2.6602 2.6602 3.4905 3.4905 3.5505 3.5505 3.9569 3.9569 5.0322 5.0322 5.3780 5.3780 6.8948 6.8948 12.2579 12.2579 14.9292 14.9292 15.5261 15.5261 k = 0.1480-0.3421 0.0000 ( 2873 PWs) bands (ev): -44.0312 -44.0312 -16.1610 -16.1610 -15.9703 -15.9703 -15.8832 -15.8832 -11.8930 -11.8930 -11.0993 -11.0993 0.6327 0.6327 0.7218 0.7218 1.1784 1.1784 2.0824 2.0824 2.6313 2.6313 3.5460 3.5460 3.5747 3.5747 3.9744 3.9744 5.0603 5.0603 5.3472 5.3472 6.8843 6.8843 12.1545 12.1545 14.9180 14.9180 15.5263 15.5263 k = 0.1436-0.3320-0.0000 ( 2869 PWs) bands (ev): -44.0321 -44.0321 -16.1548 -16.1548 -15.9698 -15.9698 -15.8839 -15.8839 -11.9228 -11.9228 -11.1001 -11.1001 0.6096 0.6096 0.6997 0.6997 1.2201 1.2201 2.1149 2.1149 2.6028 2.6028 3.5441 3.5441 3.6536 3.6536 3.9918 3.9918 5.0880 5.0880 5.3149 5.3149 6.8750 6.8750 12.0517 12.0517 14.8999 14.8999 15.5273 15.5273 k = 0.1393-0.3220 0.0000 ( 2869 PWs) bands (ev): -44.0329 -44.0329 -16.1488 -16.1488 -15.9691 -15.9691 -15.8845 -15.8845 -11.9527 -11.9527 -11.1010 -11.1010 0.5818 0.5818 0.6704 0.6704 1.2779 1.2779 2.1480 2.1480 2.5747 2.5747 3.5403 3.5403 3.7315 3.7315 4.0091 4.0091 5.1151 5.1151 5.2815 5.2815 6.8671 6.8671 11.9497 11.9497 14.8755 14.8755 15.5290 15.5290 k = 0.1349-0.3119-0.0000 ( 2865 PWs) bands (ev): -44.0338 -44.0338 -16.1429 -16.1429 -15.9682 -15.9682 -15.8851 -15.8851 -11.9826 -11.9826 -11.1018 -11.1018 0.5501 0.5501 0.6384 0.6384 1.3463 1.3463 2.1816 2.1816 2.5472 2.5472 3.5359 3.5359 3.8070 3.8070 4.0262 4.0262 5.1409 5.1409 5.2475 5.2475 6.8611 6.8611 11.8484 11.8484 14.8454 14.8454 15.5312 15.5312 k = 0.1306-0.3018-0.0000 ( 2861 PWs) bands (ev): -44.0347 -44.0347 -16.1373 -16.1373 -15.9670 -15.9670 -15.8856 -15.8856 -12.0124 -12.0124 -11.1027 -11.1027 0.5137 0.5137 0.6079 0.6079 1.4218 1.4218 2.2156 2.2156 2.5205 2.5205 3.5312 3.5312 3.8793 3.8793 4.0434 4.0434 5.1625 5.1625 5.2161 5.2161 6.8572 6.8572 11.7479 11.7479 14.8103 14.8103 15.5339 15.5339 k = 0.1262-0.2918 0.0000 ( 2853 PWs) bands (ev): -44.0356 -44.0356 -16.1319 -16.1319 -15.9655 -15.9655 -15.8861 -15.8861 -12.0419 -12.0419 -11.1036 -11.1036 0.4728 0.4728 0.5809 0.5809 1.5018 1.5018 2.2496 2.2496 2.4949 2.4949 3.5263 3.5263 3.9475 3.9475 4.0612 4.0612 5.1583 5.1583 5.2087 5.2087 6.8557 6.8557 11.6482 11.6482 14.7710 14.7710 15.5370 15.5370 k = 0.1219-0.2817-0.0000 ( 2857 PWs) bands (ev): -44.0365 -44.0365 -16.1269 -16.1269 -15.9638 -15.9638 -15.8867 -15.8867 -12.0712 -12.0712 -11.1045 -11.1045 0.4285 0.4285 0.5577 0.5577 1.5849 1.5849 2.2830 2.2830 2.4711 2.4711 3.5214 3.5214 4.0088 4.0088 4.0821 4.0821 5.1253 5.1253 5.2283 5.2283 6.8568 6.8568 11.5494 11.5494 14.7282 14.7282 15.5405 15.5405 k = 0.1175-0.2717-0.0000 ( 2857 PWs) bands (ev): -44.0374 -44.0374 -16.1222 -16.1222 -15.9618 -15.9618 -15.8871 -15.8871 -12.1002 -12.1002 -11.1053 -11.1053 0.3823 0.3823 0.5376 0.5376 1.6698 1.6698 2.3144 2.3144 2.4508 2.4508 3.5168 3.5168 4.0550 4.0550 4.1138 4.1138 5.0869 5.0869 5.2518 5.2518 6.8609 6.8609 11.4516 11.4516 14.6823 14.6823 15.5443 15.5443 k = 0.1132-0.2616-0.0000 ( 2857 PWs) bands (ev): -44.0383 -44.0383 -16.1179 -16.1179 -15.9596 -15.9596 -15.8874 -15.8874 -12.1287 -12.1287 -11.1062 -11.1062 0.3352 0.3352 0.5199 0.5199 1.7557 1.7557 2.3392 2.3392 2.4384 2.4384 3.5126 3.5126 4.0815 4.0815 4.1606 4.1606 5.0467 5.0467 5.2755 5.2755 6.8681 6.8681 11.3548 11.3548 14.6341 14.6341 15.5482 15.5482 k = 0.1088-0.2515 0.0000 ( 2869 PWs) bands (ev): -44.0392 -44.0392 -16.1141 -16.1141 -15.9571 -15.9571 -15.8878 -15.8878 -12.1567 -12.1567 -11.1071 -11.1071 0.2880 0.2880 0.5043 0.5043 1.8419 1.8419 2.3483 2.3483 2.4433 2.4433 3.5089 3.5089 4.0986 4.0986 4.2121 4.2121 5.0052 5.0052 5.2988 5.2988 6.8787 6.8787 11.2591 11.2591 14.5839 14.5839 15.5523 15.5523 k = 0.1045-0.2415-0.0000 ( 2867 PWs) bands (ev): -44.0400 -44.0400 -16.1106 -16.1106 -15.9543 -15.9543 -15.8879 -15.8879 -12.1842 -12.1842 -11.1080 -11.1080 0.2414 0.2414 0.4904 0.4904 1.9275 1.9275 2.3406 2.3406 2.4668 2.4668 3.5060 3.5060 4.1124 4.1124 4.2618 4.2618 4.9630 4.9630 5.3215 5.3215 6.8927 6.8927 11.1646 11.1646 14.5323 14.5323 15.5564 15.5564 k = 0.1001-0.2314 0.0000 ( 2867 PWs) bands (ev): -44.0409 -44.0409 -16.1075 -16.1075 -15.9514 -15.9514 -15.8879 -15.8879 -12.2111 -12.2111 -11.1088 -11.1088 0.1956 0.1956 0.4780 0.4780 2.0114 2.0114 2.3260 2.3260 2.4996 2.4996 3.5040 3.5040 4.1246 4.1246 4.3080 4.3080 4.9201 4.9201 5.3435 5.3435 6.9104 6.9104 11.0714 11.0714 14.4797 14.4797 15.5606 15.5606 k = 0.0957-0.2213-0.0000 ( 2869 PWs) bands (ev): -44.0417 -44.0417 -16.1049 -16.1049 -15.9483 -15.9483 -15.8878 -15.8878 -12.2373 -12.2373 -11.1097 -11.1097 0.1510 0.1510 0.4670 0.4670 2.0916 2.0916 2.3116 2.3116 2.5361 2.5361 3.5031 3.5031 4.1356 4.1356 4.3501 4.3501 4.8768 4.8768 5.3646 5.3646 6.9315 6.9315 10.9797 10.9797 14.4264 14.4264 15.5648 15.5648 k = 0.0914-0.2113-0.0000 ( 2867 PWs) bands (ev): -44.0425 -44.0425 -16.1026 -16.1026 -15.9451 -15.9451 -15.8874 -15.8874 -12.2628 -12.2628 -11.1105 -11.1105 0.1076 0.1076 0.4572 0.4572 2.1623 2.1623 2.3044 2.3044 2.5744 2.5744 3.5036 3.5036 4.1457 4.1457 4.3876 4.3876 4.8332 4.8332 5.3850 5.3850 6.9561 6.9561 10.8895 10.8895 14.3729 14.3729 15.5690 15.5690 k = 0.0870-0.2012 0.0000 ( 2871 PWs) bands (ev): -44.0433 -44.0433 -16.1006 -16.1006 -15.9419 -15.9419 -15.8868 -15.8868 -12.2874 -12.2874 -11.1113 -11.1113 0.0657 0.0657 0.4485 0.4485 2.2056 2.2056 2.3227 2.3227 2.6139 2.6139 3.5057 3.5057 4.1550 4.1550 4.4203 4.4203 4.7897 4.7897 5.4045 5.4045 6.9840 6.9840 10.8010 10.8010 14.3193 14.3193 15.5730 15.5730 k = 0.0827-0.1912-0.0000 ( 2873 PWs) bands (ev): -44.0441 -44.0441 -16.0990 -16.0990 -15.9389 -15.9389 -15.8860 -15.8860 -12.3112 -12.3112 -11.1121 -11.1121 0.0254 0.0254 0.4409 0.4409 2.2111 2.2111 2.3764 2.3764 2.6542 2.6542 3.5096 3.5096 4.1637 4.1637 4.4481 4.4481 4.7465 4.7465 5.4232 5.4232 7.0150 7.0150 10.7144 10.7144 14.2661 14.2661 15.5770 15.5770 k = 0.0783-0.1811-0.0000 ( 2875 PWs) bands (ev): -44.0449 -44.0449 -16.0977 -16.0977 -15.9360 -15.9360 -15.8848 -15.8848 -12.3341 -12.3341 -11.1129 -11.1129 -0.0132 -0.0132 0.4342 0.4342 2.2008 2.2008 2.4432 2.4432 2.6951 2.6951 3.5157 3.5157 4.1717 4.1717 4.4704 4.4704 4.7044 4.7044 5.4410 5.4410 7.0486 7.0486 10.6298 10.6298 14.2134 14.2134 15.5808 15.5808 k = 0.0740-0.1710 0.0000 ( 2877 PWs) bands (ev): -44.0456 -44.0456 -16.0967 -16.0967 -15.9333 -15.9333 -15.8834 -15.8834 -12.3561 -12.3561 -11.1137 -11.1137 -0.0501 -0.0501 0.4284 0.4284 2.1864 2.1864 2.5108 2.5108 2.7365 2.7365 3.5241 3.5241 4.1792 4.1792 4.4864 4.4864 4.6648 4.6648 5.4578 5.4578 7.0847 7.0847 10.5474 10.5474 14.1617 14.1617 15.5844 15.5844 k = 0.0696-0.1610-0.0000 ( 2875 PWs) bands (ev): -44.0463 -44.0463 -16.0959 -16.0959 -15.9308 -15.9308 -15.8816 -15.8816 -12.3770 -12.3770 -11.1144 -11.1144 -0.0852 -0.0852 0.4235 0.4235 2.1710 2.1710 2.5756 2.5756 2.7783 2.7783 3.5352 3.5352 4.1861 4.1861 4.4934 4.4934 4.6305 4.6305 5.4737 5.4737 7.1226 7.1226 10.4676 10.4676 14.1110 14.1110 15.5879 15.5879 k = 0.0653-0.1509 0.0000 ( 2875 PWs) bands (ev): -44.0470 -44.0470 -16.0952 -16.0952 -15.9287 -15.9287 -15.8796 -15.8796 -12.3969 -12.3969 -11.1151 -11.1151 -0.1184 -0.1184 0.4192 0.4192 2.1557 2.1557 2.6360 2.6360 2.8203 2.8203 3.5491 3.5491 4.1926 4.1926 4.4870 4.4870 4.6064 4.6064 5.4887 5.4887 7.1619 7.1619 10.3904 10.3904 14.0617 14.0617 15.5911 15.5911 k = 0.0609-0.1409 0.0000 ( 2873 PWs) bands (ev): -44.0476 -44.0476 -16.0948 -16.0948 -15.9269 -15.9269 -15.8772 -15.8772 -12.4158 -12.4158 -11.1157 -11.1157 -0.1496 -0.1496 0.4156 0.4156 2.1409 2.1409 2.6913 2.6913 2.8626 2.8626 3.5659 3.5659 4.1985 4.1985 4.4649 4.4649 4.5953 4.5953 5.5027 5.5027 7.2020 7.2020 10.3161 10.3161 14.0140 14.0140 15.5942 15.5942 k = 0.0566-0.1308-0.0000 ( 2871 PWs) bands (ev): -44.0482 -44.0482 -16.0944 -16.0944 -15.9254 -15.9254 -15.8746 -15.8746 -12.4335 -12.4335 -11.1164 -11.1164 -0.1789 -0.1789 0.4126 0.4126 2.1268 2.1268 2.7408 2.7408 2.9048 2.9048 3.5856 3.5856 4.2041 4.2041 4.4319 4.4319 4.5930 4.5930 5.5158 5.5158 7.2425 7.2425 10.2451 10.2451 13.9683 13.9683 15.5971 15.5971 k = 0.0522-0.1207-0.0000 ( 2869 PWs) bands (ev): -44.0487 -44.0487 -16.0942 -16.0942 -15.9242 -15.9242 -15.8720 -15.8720 -12.4500 -12.4500 -11.1170 -11.1170 -0.2061 -0.2061 0.4101 0.4101 2.1135 2.1135 2.7846 2.7846 2.9467 2.9467 3.6079 3.6079 4.2092 4.2092 4.3938 4.3938 4.5941 4.5941 5.5279 5.5279 7.2828 7.2828 10.1776 10.1776 13.9246 13.9246 15.5997 15.5997 k = 0.0479-0.1107-0.0000 ( 2871 PWs) bands (ev): -44.0492 -44.0492 -16.0941 -16.0941 -15.9233 -15.9233 -15.8692 -15.8692 -12.4653 -12.4653 -11.1175 -11.1175 -0.2313 -0.2313 0.4081 0.4081 2.1011 2.1011 2.8226 2.8226 2.9881 2.9881 3.6325 3.6325 4.2138 4.2138 4.3539 4.3539 4.5960 4.5960 5.5391 5.5391 7.3223 7.3223 10.1138 10.1138 13.8832 13.8832 15.6021 15.6021 k = 0.0435-0.1006 0.0000 ( 2871 PWs) bands (ev): -44.0497 -44.0497 -16.0941 -16.0941 -15.9225 -15.9225 -15.8665 -15.8665 -12.4794 -12.4794 -11.1180 -11.1180 -0.2544 -0.2544 0.4065 0.4065 2.0897 2.0897 2.8552 2.8552 3.0285 3.0285 3.6587 3.6587 4.2177 4.2177 4.3140 4.3140 4.5977 4.5977 5.5493 5.5493 7.3605 7.3605 10.0542 10.0542 13.8445 13.8445 15.6043 15.6043 k = 0.0392-0.0906-0.0000 ( 2871 PWs) bands (ev): -44.0502 -44.0502 -16.0941 -16.0941 -15.9220 -15.9220 -15.8638 -15.8638 -12.4923 -12.4923 -11.1185 -11.1185 -0.2754 -0.2754 0.4052 0.4052 2.0792 2.0792 2.8827 2.8827 3.0677 3.0677 3.6858 3.6858 4.2199 4.2199 4.2760 4.2760 4.5989 4.5989 5.5585 5.5585 7.3969 7.3969 9.9990 9.9990 13.8086 13.8086 15.6062 15.6062 k = 0.0348-0.0805 0.0000 ( 2873 PWs) bands (ev): -44.0506 -44.0506 -16.0942 -16.0942 -15.9216 -15.9216 -15.8612 -15.8612 -12.5039 -12.5039 -11.1189 -11.1189 -0.2942 -0.2942 0.4042 0.4042 2.0699 2.0699 2.9057 2.9057 3.1052 3.1052 3.7129 3.7129 4.2143 4.2143 4.2465 4.2465 4.5995 4.5995 5.5668 5.5668 7.4309 7.4309 9.9485 9.9485 13.7758 13.7758 15.6080 15.6080 k = 0.0305-0.0704-0.0000 ( 2875 PWs) bands (ev): -44.0509 -44.0509 -16.0943 -16.0943 -15.9212 -15.9212 -15.8589 -15.8589 -12.5141 -12.5141 -11.1193 -11.1193 -0.3109 -0.3109 0.4034 0.4034 2.0615 2.0615 2.9246 2.9246 3.1408 3.1408 3.7392 3.7392 4.1886 4.1886 4.2389 4.2389 4.5997 4.5997 5.5740 5.5740 7.4620 7.4620 9.9031 9.9031 13.7462 13.7462 15.6095 15.6095 k = 0.0261-0.0604-0.0000 ( 2875 PWs) bands (ev): -44.0512 -44.0512 -16.0944 -16.0944 -15.9210 -15.9210 -15.8568 -15.8568 -12.5231 -12.5231 -11.1196 -11.1196 -0.3254 -0.3254 0.4028 0.4028 2.0543 2.0543 2.9399 2.9399 3.1739 3.1739 3.7638 3.7638 4.1561 4.1561 4.2399 4.2399 4.5995 4.5995 5.5803 5.5803 7.4900 7.4900 9.8630 9.8630 13.7201 13.7201 15.6108 15.6108 k = 0.0218-0.0503-0.0000 ( 2881 PWs) bands (ev): -44.0515 -44.0515 -16.0945 -16.0945 -15.9209 -15.9209 -15.8549 -15.8549 -12.5306 -12.5306 -11.1199 -11.1199 -0.3377 -0.3377 0.4024 0.4024 2.0481 2.0481 2.9521 2.9521 3.2040 3.2040 3.7861 3.7861 4.1251 4.1251 4.2422 4.2422 4.5991 4.5991 5.5856 5.5856 7.5143 7.5143 9.8285 9.8285 13.6976 13.6976 15.6119 15.6119 k = 0.0174-0.0402-0.0000 ( 2883 PWs) bands (ev): -44.0517 -44.0517 -16.0946 -16.0946 -15.9207 -15.9207 -15.8534 -15.8534 -12.5369 -12.5369 -11.1201 -11.1201 -0.3478 -0.3478 0.4021 0.4021 2.0430 2.0430 2.9615 2.9615 3.2303 3.2303 3.8053 3.8053 4.0974 4.0974 4.2445 4.2445 4.5986 4.5986 5.5900 5.5900 7.5347 7.5347 9.7999 9.7999 13.6790 13.6790 15.6128 15.6128 k = 0.0131-0.0302-0.0000 ( 2883 PWs) bands (ev): -44.0519 -44.0519 -16.0947 -16.0947 -15.9206 -15.9206 -15.8522 -15.8522 -12.5417 -12.5417 -11.1203 -11.1203 -0.3556 -0.3556 0.4019 0.4019 2.0391 2.0391 2.9685 2.9685 3.2520 3.2520 3.8210 3.8210 4.0743 4.0743 4.2466 4.2466 4.5980 4.5980 5.5934 5.5934 7.5508 7.5508 9.7775 9.7775 13.6644 13.6644 15.6135 15.6135 k = 0.0087-0.0201-0.0000 ( 2887 PWs) bands (ev): -44.0520 -44.0520 -16.0948 -16.0948 -15.9206 -15.9206 -15.8513 -15.8513 -12.5452 -12.5452 -11.1204 -11.1204 -0.3612 -0.3612 0.4018 0.4018 2.0363 2.0363 2.9733 2.9733 3.2682 3.2682 3.8326 3.8326 4.0567 4.0567 4.2481 4.2481 4.5976 4.5976 5.5958 5.5958 7.5625 7.5625 9.7613 9.7613 13.6539 13.6539 15.6140 15.6140 k = 0.0044-0.0101-0.0000 ( 2879 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9205 -15.9205 -15.8507 -15.8507 -12.5473 -12.5473 -11.1205 -11.1205 -0.3646 -0.3646 0.4017 0.4017 2.0346 2.0346 2.9762 2.9762 3.2784 3.2784 3.8398 3.8398 4.0457 4.0457 4.2492 4.2492 4.5973 4.5973 5.5973 5.5973 7.5697 7.5697 9.7515 9.7515 13.6475 13.6475 15.6143 15.6143 k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9205 -15.9205 -15.8505 -15.8505 -12.5480 -12.5480 -11.1205 -11.1205 -0.3657 -0.3657 0.4017 0.4017 2.0340 2.0340 2.9771 2.9771 3.2818 3.2818 3.8423 3.8423 4.0419 4.0419 4.2495 4.2495 4.5972 4.5972 5.5978 5.5978 7.5720 7.5720 9.7482 9.7482 13.6454 13.6454 15.6144 15.6144 k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9205 -15.9205 -15.8505 -15.8505 -12.5480 -12.5480 -11.1205 -11.1205 -0.3657 -0.3657 0.4017 0.4017 2.0340 2.0340 2.9771 2.9771 3.2818 3.2818 3.8423 3.8423 4.0419 4.0419 4.2495 4.2495 4.5972 4.5972 5.5978 5.5978 7.5720 7.5720 9.7482 9.7482 13.6454 13.6454 15.6144 15.6144 k = 0.0077-0.0072-0.0025 ( 2877 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9205 -15.9205 -15.8506 -15.8506 -12.5474 -12.5474 -11.1206 -11.1206 -0.3647 -0.3647 0.4017 0.4017 2.0344 2.0344 2.9763 2.9763 3.2791 3.2791 3.8396 3.8396 4.0454 4.0454 4.2492 4.2492 4.5971 4.5971 5.5973 5.5973 7.5702 7.5702 9.7514 9.7514 13.6471 13.6471 15.6147 15.6147 k = 0.0154-0.0145-0.0050 ( 2880 PWs) bands (ev): -44.0520 -44.0520 -16.0948 -16.0948 -15.9206 -15.9206 -15.8511 -15.8511 -12.5455 -12.5455 -11.1206 -11.1206 -0.3617 -0.3617 0.4018 0.4018 2.0356 2.0356 2.9738 2.9738 3.2712 3.2712 3.8319 3.8319 4.0555 4.0555 4.2483 4.2483 4.5968 4.5968 5.5959 5.5959 7.5647 7.5647 9.7608 9.7608 13.6523 13.6523 15.6156 15.6156 k = 0.0231-0.0217-0.0075 ( 2884 PWs) bands (ev): -44.0519 -44.0519 -16.0948 -16.0948 -15.9207 -15.9207 -15.8519 -15.8519 -12.5423 -12.5423 -11.1208 -11.1208 -0.3566 -0.3566 0.4019 0.4019 2.0375 2.0375 2.9695 2.9695 3.2583 3.2583 3.8200 3.8200 4.0711 4.0711 4.2467 4.2467 4.5964 4.5964 5.5936 5.5936 7.5555 7.5555 9.7765 9.7765 13.6609 13.6609 15.6171 15.6171 k = 0.0308-0.0289-0.0100 ( 2886 PWs) bands (ev): -44.0518 -44.0518 -16.0947 -16.0947 -15.9209 -15.9209 -15.8529 -15.8529 -12.5379 -12.5379 -11.1209 -11.1209 -0.3496 -0.3496 0.4020 0.4020 2.0401 2.0401 2.9634 2.9634 3.2410 3.2410 3.8046 3.8046 4.0913 4.0913 4.2445 4.2445 4.5958 4.5958 5.5904 5.5904 7.5428 7.5428 9.7983 9.7983 13.6727 13.6727 15.6193 15.6193 k = 0.0385-0.0361-0.0125 ( 2881 PWs) bands (ev): -44.0516 -44.0516 -16.0947 -16.0947 -15.9210 -15.9210 -15.8542 -15.8542 -12.5322 -12.5322 -11.1211 -11.1211 -0.3406 -0.3406 0.4022 0.4022 2.0435 2.0435 2.9553 2.9553 3.2197 3.2197 3.7864 3.7864 4.1150 4.1150 4.2417 4.2417 4.5954 4.5954 5.5863 5.5863 7.5267 7.5267 9.8260 9.8260 13.6878 13.6878 15.6221 15.6221 k = 0.0462-0.0434-0.0150 ( 2877 PWs) bands (ev): -44.0514 -44.0514 -16.0946 -16.0946 -15.9212 -15.9212 -15.8557 -15.8557 -12.5253 -12.5253 -11.1214 -11.1214 -0.3296 -0.3296 0.4025 0.4025 2.0476 2.0476 2.9450 2.9450 3.1950 3.1950 3.7659 3.7659 4.1413 4.1413 4.2383 4.2383 4.5950 4.5950 5.5812 5.5812 7.5073 7.5073 9.8596 9.8596 13.7058 13.7058 15.6257 15.6257 k = 0.0538-0.0506-0.0175 ( 2877 PWs) bands (ev): -44.0511 -44.0511 -16.0945 -16.0945 -15.9215 -15.9215 -15.8575 -15.8575 -12.5172 -12.5172 -11.1217 -11.1217 -0.3166 -0.3166 0.4029 0.4029 2.0525 2.0525 2.9323 2.9323 3.1673 3.1673 3.7437 3.7437 4.1692 4.1692 4.2347 4.2347 4.5949 4.5949 5.5753 5.5753 7.4848 7.4848 9.8987 9.8987 13.7268 13.7268 15.6301 15.6301 k = 0.0615-0.0578-0.0200 ( 2876 PWs) bands (ev): -44.0508 -44.0508 -16.0945 -16.0945 -15.9218 -15.9218 -15.8595 -15.8595 -12.5079 -12.5079 -11.1220 -11.1220 -0.3017 -0.3017 0.4034 0.4034 2.0581 2.0581 2.9169 2.9169 3.1370 3.1370 3.7203 3.7203 4.1961 4.1961 4.2329 4.2329 4.5950 4.5950 5.5684 5.5684 7.4593 7.4593 9.9432 9.9432 13.7503 13.7503 15.6355 15.6355 k = 0.0692-0.0650-0.0225 ( 2875 PWs) bands (ev): -44.0505 -44.0505 -16.0944 -16.0944 -15.9222 -15.9222 -15.8617 -15.8617 -12.4974 -12.4974 -11.1223 -11.1223 -0.2849 -0.2849 0.4040 0.4040 2.0643 2.0643 2.8986 2.8986 3.1043 3.1043 3.6962 3.6962 4.2109 4.2109 4.2439 4.2439 4.5953 4.5953 5.5605 5.5605 7.4311 7.4311 9.9927 9.9927 13.7763 13.7763 15.6418 15.6418 k = 0.0769-0.0723-0.0249 ( 2876 PWs) bands (ev): -44.0502 -44.0502 -16.0944 -16.0944 -15.9227 -15.9227 -15.8641 -15.8641 -12.4857 -12.4857 -11.1227 -11.1227 -0.2662 -0.2662 0.4047 0.4047 2.0712 2.0712 2.8773 2.8773 3.0696 3.0696 3.6720 3.6720 4.2091 4.2091 4.2714 4.2714 4.5959 4.5959 5.5518 5.5518 7.4004 7.4004 10.0471 10.0471 13.8045 13.8045 15.6492 15.6492 k = 0.0846-0.0795-0.0274 ( 2877 PWs) bands (ev): -44.0498 -44.0498 -16.0944 -16.0944 -15.9233 -15.9233 -15.8666 -15.8666 -12.4730 -12.4730 -11.1230 -11.1230 -0.2457 -0.2457 0.4057 0.4057 2.0787 2.0787 2.8528 2.8528 3.0327 3.0327 3.6483 3.6483 4.2032 4.2032 4.3030 4.3030 4.5967 4.5967 5.5421 5.5421 7.3676 7.3676 10.1059 10.1059 13.8345 13.8345 15.6579 15.6579 k = 0.0923-0.0867-0.0299 ( 2877 PWs) bands (ev): -44.0494 -44.0494 -16.0945 -16.0945 -15.9240 -15.9240 -15.8692 -15.8692 -12.4591 -12.4591 -11.1234 -11.1234 -0.2234 -0.2234 0.4068 0.4068 2.0869 2.0869 2.8249 2.8249 2.9938 2.9938 3.6257 3.6257 4.1961 4.1961 4.3353 4.3353 4.5978 4.5978 5.5315 5.5315 7.3329 7.3329 10.1690 10.1690 13.8661 13.8661 15.6679 15.6679 k = 0.1000-0.0940-0.0324 ( 2879 PWs) bands (ev): -44.0489 -44.0489 -16.0946 -16.0946 -15.9248 -15.9248 -15.8719 -15.8719 -12.4441 -12.4441 -11.1238 -11.1238 -0.1993 -0.1993 0.4082 0.4082 2.0955 2.0955 2.7935 2.7935 2.9529 2.9529 3.6048 3.6048 4.1884 4.1884 4.3672 4.3672 4.5993 4.5993 5.5199 5.5199 7.2966 7.2966 10.2360 10.2360 13.8990 13.8990 15.6794 15.6794 k = 0.1077-0.1012-0.0349 ( 2880 PWs) bands (ev): -44.0484 -44.0484 -16.0948 -16.0948 -15.9258 -15.9258 -15.8746 -15.8746 -12.4282 -12.4282 -11.1241 -11.1241 -0.1735 -0.1735 0.4099 0.4099 2.1047 2.1047 2.7584 2.7584 2.9104 2.9104 3.5860 3.5860 4.1803 4.1803 4.3979 4.3979 4.6016 4.6016 5.5074 5.5074 7.2591 7.2591 10.3066 10.3066 13.9329 13.9329 15.6925 15.6925 k = 0.1154-0.1084-0.0374 ( 2882 PWs) bands (ev): -44.0479 -44.0479 -16.0951 -16.0951 -15.9270 -15.9270 -15.8773 -15.8773 -12.4112 -12.4112 -11.1244 -11.1244 -0.1461 -0.1461 0.4120 0.4120 2.1142 2.1142 2.7192 2.7192 2.8668 2.8668 3.5695 3.5695 4.1719 4.1719 4.4262 4.4262 4.6054 4.6054 5.4940 5.4940 7.2208 7.2208 10.3805 10.3805 13.9675 13.9675 15.7073 15.7073 k = 0.1231-0.1156-0.0399 ( 2880 PWs) bands (ev): -44.0474 -44.0474 -16.0955 -16.0955 -15.9283 -15.9283 -15.8798 -15.8798 -12.3933 -12.3933 -11.1246 -11.1246 -0.1170 -0.1170 0.4144 0.4144 2.1240 2.1240 2.6757 2.6757 2.8229 2.8229 3.5556 3.5556 4.1634 4.1634 4.4505 4.4505 4.6119 4.6119 5.4797 5.4797 7.1819 7.1819 10.4575 10.4575 14.0024 14.0024 15.7240 15.7240 k = 0.1308-0.1229-0.0424 ( 2877 PWs) bands (ev): -44.0468 -44.0468 -16.0959 -16.0959 -15.9298 -15.9298 -15.8822 -15.8822 -12.3744 -12.3744 -11.1249 -11.1249 -0.0864 -0.0864 0.4173 0.4173 2.1340 2.1340 2.6274 2.6274 2.7794 2.7794 3.5443 3.5443 4.1546 4.1546 4.4689 4.4689 4.6228 4.6228 5.4644 5.4644 7.1429 7.1429 10.5371 10.5371 14.0373 14.0373 15.7426 15.7426 k = 0.1385-0.1301-0.0449 ( 2874 PWs) bands (ev): -44.0462 -44.0462 -16.0965 -16.0965 -15.9316 -15.9316 -15.8845 -15.8845 -12.3547 -12.3547 -11.1250 -11.1250 -0.0544 -0.0544 0.4208 0.4208 2.1438 2.1438 2.5740 2.5740 2.7373 2.7373 3.5356 3.5356 4.1457 4.1457 4.4799 4.4799 4.6392 4.6392 5.4482 5.4482 7.1040 7.1040 10.6193 10.6193 14.0719 14.0719 15.7633 15.7633 k = 0.1462-0.1373-0.0474 ( 2874 PWs) bands (ev): -44.0455 -44.0455 -16.0973 -16.0973 -15.9336 -15.9336 -15.8865 -15.8865 -12.3342 -12.3342 -11.1251 -11.1251 -0.0210 -0.0210 0.4249 0.4249 2.1533 2.1533 2.5160 2.5160 2.6970 2.6970 3.5292 3.5292 4.1366 4.1366 4.4832 4.4832 4.6612 4.6612 5.4312 5.4312 7.0657 7.0657 10.7036 10.7036 14.1060 14.1060 15.7862 15.7862 k = 0.1538-0.1445-0.0499 ( 2875 PWs) bands (ev): -44.0449 -44.0449 -16.0983 -16.0983 -15.9358 -15.9358 -15.8883 -15.8883 -12.3128 -12.3128 -11.1251 -11.1251 0.0136 0.0136 0.4297 0.4297 2.1618 2.1618 2.4540 2.4540 2.6590 2.6590 3.5251 3.5251 4.1271 4.1271 4.4798 4.4798 4.6873 4.6873 5.4132 5.4132 7.0283 7.0283 10.7898 10.7898 14.1392 14.1392 15.8112 15.8112 k = 0.1615-0.1518-0.0524 ( 2875 PWs) bands (ev): -44.0442 -44.0442 -16.0995 -16.0995 -15.9382 -15.9382 -15.8899 -15.8899 -12.2908 -12.2908 -11.1250 -11.1250 0.0492 0.0492 0.4354 0.4354 2.1683 2.1683 2.3894 2.3894 2.6233 2.6233 3.5230 3.5230 4.1172 4.1172 4.4711 4.4711 4.7162 4.7162 5.3945 5.3945 6.9922 6.9922 10.8778 10.8778 14.1713 14.1713 15.8383 15.8383 k = 0.1692-0.1590-0.0549 ( 2869 PWs) bands (ev): -44.0435 -44.0435 -16.1008 -16.1008 -15.9407 -15.9407 -15.8912 -15.8912 -12.2680 -12.2680 -11.1249 -11.1249 0.0858 0.0858 0.4421 0.4421 2.1705 2.1705 2.3246 2.3246 2.5905 2.5905 3.5227 3.5227 4.1068 4.1068 4.4581 4.4581 4.7467 4.7467 5.3749 5.3749 6.9575 6.9575 10.9671 10.9671 14.2022 14.2022 15.8675 15.8675 k = 0.1769-0.1662-0.0574 ( 2871 PWs) bands (ev): -44.0428 -44.0428 -16.1025 -16.1025 -15.9433 -15.9433 -15.8922 -15.8922 -12.2446 -12.2446 -11.1246 -11.1246 0.1231 0.1231 0.4500 0.4500 2.1611 2.1611 2.2671 2.2671 2.5608 2.5608 3.5241 3.5241 4.0957 4.0957 4.4413 4.4413 4.7781 4.7781 5.3546 5.3546 6.9246 6.9246 11.0576 11.0576 14.2316 14.2316 15.8986 15.8986 k = 0.1846-0.1735-0.0599 ( 2870 PWs) bands (ev): -44.0421 -44.0421 -16.1044 -16.1044 -15.9460 -15.9460 -15.8931 -15.8931 -12.2206 -12.2206 -11.1243 -11.1243 0.1608 0.1608 0.4593 0.4593 2.1242 2.1242 2.2323 2.2323 2.5351 2.5351 3.5269 3.5269 4.0835 4.0835 4.4214 4.4214 4.8098 4.8098 5.3336 5.3336 6.8937 6.8937 11.1491 11.1491 14.2594 14.2594 15.9315 15.9315 k = 0.1923-0.1807-0.0624 ( 2864 PWs) bands (ev): -44.0413 -44.0413 -16.1065 -16.1065 -15.9487 -15.9487 -15.8937 -15.8937 -12.1961 -12.1961 -11.1238 -11.1238 0.1985 0.1985 0.4705 0.4705 2.0616 2.0616 2.2183 2.2183 2.5141 2.5141 3.5309 3.5309 4.0701 4.0701 4.3987 4.3987 4.8416 4.8416 5.3120 5.3120 6.8651 6.8651 11.2414 11.2414 14.2855 14.2855 15.9657 15.9657 k = 0.2000-0.1879-0.0649 ( 2863 PWs) bands (ev): -44.0406 -44.0406 -16.1090 -16.1090 -15.9513 -15.9513 -15.8942 -15.8942 -12.1711 -12.1711 -11.1232 -11.1232 0.2357 0.2357 0.4840 0.4840 1.9888 1.9888 2.2088 2.2088 2.4988 2.4988 3.5361 3.5361 4.0550 4.0550 4.3737 4.3737 4.8730 4.8730 5.2899 5.2899 6.8388 6.8388 11.3341 11.3341 14.3100 14.3100 16.0010 16.0010 k = 0.2077-0.1951-0.0674 ( 2861 PWs) bands (ev): -44.0398 -44.0398 -16.1118 -16.1118 -15.9539 -15.9539 -15.8945 -15.8945 -12.1457 -12.1457 -11.1224 -11.1224 0.2719 0.2719 0.5003 0.5003 1.9122 1.9122 2.1975 2.1975 2.4896 2.4896 3.5422 3.5422 4.0378 4.0378 4.3469 4.3469 4.9040 4.9040 5.2676 5.2676 6.8150 6.8150 11.4271 11.4271 14.3327 14.3327 16.0367 16.0367 k = 0.2154-0.2024-0.0699 ( 2858 PWs) bands (ev): -44.0390 -44.0390 -16.1148 -16.1148 -15.9563 -15.9563 -15.8946 -15.8946 -12.1199 -12.1199 -11.1216 -11.1216 0.3063 0.3063 0.5201 0.5201 1.8341 1.8341 2.1824 2.1824 2.4866 2.4866 3.5491 3.5491 4.0178 4.0178 4.3187 4.3187 4.9342 4.9342 5.2451 5.2451 6.7938 6.7938 11.5201 11.5201 14.3538 14.3538 16.0724 16.0724 k = 0.2231-0.2096-0.0723 ( 2857 PWs) bands (ev): -44.0382 -44.0382 -16.1182 -16.1182 -15.9585 -15.9585 -15.8947 -15.8947 -12.0938 -12.0938 -11.1206 -11.1206 0.3382 0.3382 0.5439 0.5439 1.7554 1.7554 2.1635 2.1635 2.4892 2.4892 3.5567 3.5567 3.9945 3.9945 4.2901 4.2901 4.9633 4.9633 5.2229 5.2229 6.7752 6.7752 11.6129 11.6129 14.3734 14.3734 16.1073 16.1073 k = 0.2308-0.2168-0.0748 ( 2857 PWs) bands (ev): -44.0374 -44.0374 -16.1220 -16.1220 -15.9606 -15.9606 -15.8946 -15.8946 -12.0674 -12.0674 -11.1195 -11.1195 0.3672 0.3672 0.5721 0.5721 1.6767 1.6767 2.1416 2.1416 2.4965 2.4965 3.5648 3.5648 3.9672 3.9672 4.2616 4.2616 4.9905 4.9905 5.2016 5.2016 6.7592 6.7592 11.7054 11.7054 14.3915 14.3915 16.1406 16.1406 k = 0.2385-0.2241-0.0773 ( 2856 PWs) bands (ev): -44.0366 -44.0366 -16.1260 -16.1260 -15.9625 -15.9625 -15.8944 -15.8944 -12.0409 -12.0409 -11.1183 -11.1183 0.3933 0.3933 0.6044 0.6044 1.5987 1.5987 2.1172 2.1172 2.5076 2.5076 3.5732 3.5732 3.9353 3.9353 4.2340 4.2340 5.0148 5.0148 5.1824 5.1824 6.7458 6.7458 11.7971 11.7971 14.4084 14.4084 16.1715 16.1715 k = 0.2462-0.2313-0.0798 ( 2857 PWs) bands (ev): -44.0358 -44.0358 -16.1303 -16.1303 -15.9642 -15.9642 -15.8941 -15.8941 -12.0142 -12.0142 -11.1169 -11.1169 0.4167 0.4167 0.6403 0.6403 1.5218 1.5218 2.0913 2.0913 2.5215 2.5215 3.5820 3.5820 3.8984 3.8984 4.2078 4.2078 5.0335 5.0335 5.1679 5.1679 6.7349 6.7349 11.8879 11.8879 14.4242 14.4242 16.1989 16.1989 k = 0.2538-0.2385-0.0823 ( 2858 PWs) bands (ev): -44.0350 -44.0350 -16.1349 -16.1349 -15.9657 -15.9657 -15.8938 -15.8938 -11.9874 -11.9874 -11.1154 -11.1154 0.4382 0.4382 0.6787 0.6787 1.4470 1.4470 2.0644 2.0644 2.5378 2.5378 3.5908 3.5908 3.8564 3.8564 4.1832 4.1832 5.0425 5.0425 5.1624 5.1624 6.7264 6.7264 11.9776 11.9776 14.4391 14.4391 16.2219 16.2219 k = 0.2615-0.2457-0.0848 ( 2859 PWs) bands (ev): -44.0342 -44.0342 -16.1397 -16.1397 -15.9670 -15.9670 -15.8934 -15.8934 -11.9607 -11.9607 -11.1137 -11.1137 0.4582 0.4582 0.7182 0.7182 1.3750 1.3750 2.0370 2.0370 2.5558 2.5558 3.5996 3.5996 3.8095 3.8095 4.1605 4.1605 5.0386 5.0386 5.1689 5.1689 6.7202 6.7202 12.0657 12.0657 14.4533 14.4533 16.2397 16.2397 k = 0.2692-0.2530-0.0873 ( 2857 PWs) bands (ev): -44.0334 -44.0334 -16.1447 -16.1447 -15.9681 -15.9681 -15.8929 -15.8929 -11.9340 -11.9340 -11.1120 -11.1120 0.4773 0.4773 0.7571 0.7571 1.3074 1.3074 2.0094 2.0094 2.5752 2.5752 3.6079 3.6079 3.7581 3.7581 4.1393 4.1393 5.0245 5.0245 5.1848 5.1848 6.7161 6.7161 12.1521 12.1521 14.4672 14.4672 16.2515 16.2515 k = 0.2769-0.2602-0.0898 ( 2853 PWs) bands (ev): -44.0326 -44.0326 -16.1498 -16.1498 -15.9690 -15.9690 -15.8923 -15.8923 -11.9074 -11.9074 -11.1101 -11.1101 0.4959 0.4959 0.7925 0.7925 1.2467 1.2467 1.9819 1.9819 2.5958 2.5958 3.6154 3.6154 3.7031 3.7031 4.1196 4.1196 5.0047 5.0047 5.2058 5.2058 6.7141 6.7141 12.2364 12.2364 14.4810 14.4810 16.2567 16.2567 k = 0.2846-0.2674-0.0923 ( 2855 PWs) bands (ev): -44.0318 -44.0318 -16.1551 -16.1551 -15.9697 -15.9697 -15.8918 -15.8918 -11.8809 -11.8809 -11.1081 -11.1081 0.5139 0.5139 0.8202 0.8202 1.1975 1.1975 1.9547 1.9547 2.6172 2.6172 3.6173 3.6173 3.6494 3.6494 4.1010 4.1010 4.9820 4.9820 5.2288 5.2288 6.7140 6.7140 12.3182 12.3182 14.4950 14.4950 16.2552 16.2552 k = 0.2923-0.2746-0.0948 ( 2853 PWs) bands (ev): -44.0310 -44.0310 -16.1606 -16.1606 -15.9703 -15.9703 -15.8911 -15.8911 -11.8547 -11.8547 -11.1060 -11.1060 0.5313 0.5313 0.8336 0.8336 1.1663 1.1663 1.9279 1.9279 2.6394 2.6394 3.5749 3.5749 3.6361 3.6361 4.0835 4.0835 4.9578 4.9578 5.2527 5.2527 6.7156 6.7156 12.3973 12.3973 14.5095 14.5095 16.2471 16.2471 k = 0.3000-0.2819-0.0973 ( 2852 PWs) bands (ev): -44.0302 -44.0302 -16.1661 -16.1661 -15.9707 -15.9707 -15.8904 -15.8904 -11.8288 -11.8288 -11.1038 -11.1038 0.5475 0.5475 0.8274 0.8274 1.1594 1.1594 1.9017 1.9017 2.6622 2.6622 3.5113 3.5113 3.6402 3.6402 4.0669 4.0669 4.9328 4.9328 5.2768 5.2768 6.7188 6.7188 12.4732 12.4732 14.5250 14.5250 16.2330 16.2330 k = 0.3077-0.2891-0.0998 ( 2852 PWs) bands (ev): -44.0295 -44.0295 -16.1716 -16.1716 -15.9711 -15.9711 -15.8897 -15.8897 -11.8033 -11.8033 -11.1015 -11.1015 0.5609 0.5609 0.8042 0.8042 1.1756 1.1756 1.8761 1.8761 2.6854 2.6854 3.4441 3.4441 3.6443 3.6443 4.0512 4.0512 4.9073 4.9073 5.3007 5.3007 6.7235 6.7235 12.5455 12.5455 14.5416 14.5416 16.2136 16.2136 k = 0.3154-0.2963-0.1023 ( 2851 PWs) bands (ev): -44.0287 -44.0287 -16.1772 -16.1772 -15.9713 -15.9713 -15.8890 -15.8890 -11.7782 -11.7782 -11.0992 -11.0992 0.5683 0.5683 0.7743 0.7743 1.2081 1.2081 1.8512 1.8512 2.7089 2.7089 3.3748 3.3748 3.6470 3.6470 4.0367 4.0367 4.8815 4.8815 5.3242 5.3242 6.7294 6.7294 12.6139 12.6139 14.5599 14.5599 16.1899 16.1899 k = 0.3231-0.3036-0.1048 ( 2852 PWs) bands (ev): -44.0280 -44.0280 -16.1828 -16.1828 -15.9715 -15.9715 -15.8883 -15.8883 -11.7535 -11.7535 -11.0968 -11.0968 0.5637 0.5637 0.7504 0.7504 1.2502 1.2502 1.8272 1.8272 2.7327 2.7327 3.3037 3.3037 3.6477 3.6477 4.0234 4.0234 4.8557 4.8557 5.3472 5.3472 6.7365 6.7365 12.6780 12.6780 14.5802 14.5802 16.1629 16.1629 k = 0.3308-0.3108-0.1073 ( 2849 PWs) bands (ev): -44.0273 -44.0273 -16.1882 -16.1882 -15.9715 -15.9715 -15.8875 -15.8875 -11.7294 -11.7294 -11.0943 -11.0943 0.5418 0.5418 0.7419 0.7419 1.2978 1.2978 1.8041 1.8041 2.7565 2.7565 3.2314 3.2314 3.6459 3.6459 4.0116 4.0116 4.8299 4.8299 5.3695 5.3695 6.7445 6.7445 12.7375 12.7375 14.6027 14.6027 16.1339 16.1339 k = 0.3385-0.3180-0.1098 ( 2851 PWs) bands (ev): -44.0266 -44.0266 -16.1937 -16.1937 -15.9715 -15.9715 -15.8867 -15.8867 -11.7059 -11.7059 -11.0918 -11.0918 0.5047 0.5047 0.7490 0.7490 1.3487 1.3487 1.7820 1.7820 2.7803 2.7803 3.1581 3.1581 3.6413 3.6413 4.0016 4.0016 4.8042 4.8042 5.3912 5.3912 6.7533 6.7533 12.7920 12.7920 14.6279 14.6279 16.1036 16.1036 k = 0.3462-0.3252-0.1123 ( 2849 PWs) bands (ev): -44.0259 -44.0259 -16.1990 -16.1990 -15.9715 -15.9715 -15.8859 -15.8859 -11.6831 -11.6831 -11.0893 -11.0893 0.4591 0.4591 0.7663 0.7663 1.4013 1.4013 1.7610 1.7610 2.8038 2.8038 3.0843 3.0843 3.6334 3.6334 3.9936 3.9936 4.7787 4.7787 5.4122 5.4122 6.7629 6.7629 12.8413 12.8413 14.6560 14.6560 16.0731 16.0731 k = 0.3538-0.3325-0.1148 ( 2851 PWs) bands (ev): -44.0253 -44.0253 -16.2043 -16.2043 -15.9714 -15.9714 -15.8851 -15.8851 -11.6609 -11.6609 -11.0867 -11.0867 0.4100 0.4100 0.7897 0.7897 1.4549 1.4549 1.7415 1.7415 2.8264 2.8264 3.0106 3.0106 3.6222 3.6222 3.9877 3.9877 4.7535 4.7535 5.4324 5.4324 6.7730 6.7730 12.8853 12.8853 14.6871 14.6871 16.0432 16.0432 k = 0.3615-0.3397-0.1173 ( 2850 PWs) bands (ev): -44.0246 -44.0246 -16.2094 -16.2094 -15.9713 -15.9713 -15.8843 -15.8843 -11.6395 -11.6395 -11.0842 -11.0842 0.3599 0.3599 0.8172 0.8172 1.5083 1.5083 1.7237 1.7237 2.8460 2.8460 2.9394 2.9394 3.6075 3.6075 3.9841 3.9841 4.7286 4.7286 5.4517 5.4517 6.7835 6.7835 12.9238 12.9238 14.7213 14.7213 16.0146 16.0146 k = 0.3692-0.3469-0.1198 ( 2851 PWs) bands (ev): -44.0240 -44.0240 -16.2143 -16.2143 -15.9711 -15.9711 -15.8836 -15.8836 -11.6189 -11.6189 -11.0817 -11.0817 0.3104 0.3104 0.8475 0.8475 1.5600 1.5600 1.7092 1.7092 2.8380 2.8380 2.8952 2.8952 3.5895 3.5895 3.9825 3.9825 4.7042 4.7042 5.4702 5.4702 6.7944 6.7944 12.9570 12.9570 14.7586 14.7586 15.9877 15.9877 k = 0.3769-0.3541-0.1222 ( 2855 PWs) bands (ev): -44.0235 -44.0235 -16.2191 -16.2191 -15.9710 -15.9710 -15.8829 -15.8829 -11.5992 -11.5992 -11.0792 -11.0792 0.2622 0.2622 0.8803 0.8803 1.6050 1.6050 1.7025 1.7025 2.7743 2.7743 2.9062 2.9062 3.5684 3.5684 3.9827 3.9827 4.6801 4.6801 5.4878 5.4878 6.8053 6.8053 12.9850 12.9850 14.7986 14.7986 15.9632 15.9632 k = 0.3846-0.3614-0.1247 ( 2852 PWs) bands (ev): -44.0229 -44.0229 -16.2236 -16.2236 -15.9708 -15.9708 -15.8821 -15.8821 -11.5805 -11.5805 -11.0768 -11.0768 0.2158 0.2158 0.9153 0.9153 1.6294 1.6294 1.7173 1.7173 2.7011 2.7011 2.9264 2.9264 3.5444 3.5444 3.9846 3.9846 4.6567 4.6567 5.5045 5.5045 6.8164 6.8164 13.0081 13.0081 14.8412 14.8412 15.9414 15.9414 k = 0.3923-0.3686-0.1272 ( 2854 PWs) bands (ev): -44.0224 -44.0224 -16.2280 -16.2280 -15.9706 -15.9706 -15.8814 -15.8814 -11.5627 -11.5627 -11.0745 -11.0745 0.1715 0.1715 0.9522 0.9522 1.6292 1.6292 1.7572 1.7572 2.6266 2.6266 2.9473 2.9473 3.5181 3.5181 3.9878 3.9878 4.6338 4.6338 5.5203 5.5203 6.8273 6.8273 13.0267 13.0267 14.8859 14.8859 15.9227 15.9227 k = 0.4000-0.3758-0.1297 ( 2854 PWs) bands (ev): -44.0219 -44.0219 -16.2320 -16.2320 -15.9704 -15.9704 -15.8807 -15.8807 -11.5459 -11.5459 -11.0722 -11.0722 0.1297 0.1297 0.9910 0.9910 1.6201 1.6201 1.8066 1.8066 2.5521 2.5521 2.9680 2.9680 3.4897 3.4897 3.9921 3.9921 4.6116 4.6116 5.5350 5.5350 6.8381 6.8381 13.0411 13.0411 14.9320 14.9320 15.9074 15.9074 k = 0.4077-0.3831-0.1322 ( 2851 PWs) bands (ev): -44.0214 -44.0214 -16.2359 -16.2359 -15.9702 -15.9702 -15.8801 -15.8801 -11.5301 -11.5301 -11.0700 -11.0700 0.0904 0.0904 1.0316 1.0316 1.6090 1.6090 1.8582 1.8582 2.4779 2.4779 2.9880 2.9880 3.4597 3.4597 3.9971 3.9971 4.5902 4.5902 5.5489 5.5489 6.8485 6.8485 13.0518 13.0518 14.9788 14.9788 15.8959 15.8959 k = 0.4154-0.3903-0.1347 ( 2856 PWs) bands (ev): -44.0210 -44.0210 -16.2395 -16.2395 -15.9700 -15.9700 -15.8795 -15.8795 -11.5155 -11.5155 -11.0680 -11.0680 0.0539 0.0539 1.0739 1.0739 1.5977 1.5977 1.9097 1.9097 2.4042 2.4042 3.0072 3.0072 3.4285 3.4285 4.0027 4.0027 4.5697 4.5697 5.5616 5.5616 6.8585 6.8585 13.0594 13.0594 15.0256 15.0256 15.8883 15.8883 k = 0.4231-0.3975-0.1372 ( 2853 PWs) bands (ev): -44.0206 -44.0206 -16.2428 -16.2428 -15.9698 -15.9698 -15.8789 -15.8789 -11.5020 -11.5020 -11.0661 -11.0661 0.0202 0.0202 1.1180 1.1180 1.5870 1.5870 1.9604 1.9604 2.3312 2.3312 3.0252 3.0252 3.3965 3.3965 4.0086 4.0086 4.5503 4.5503 5.5734 5.5734 6.8681 6.8681 13.0644 13.0644 15.0714 15.0714 15.8850 15.8850 k = 0.4308-0.4047-0.1397 ( 2851 PWs) bands (ev): -44.0203 -44.0203 -16.2458 -16.2458 -15.9696 -15.9696 -15.8783 -15.8783 -11.4897 -11.4897 -11.0643 -11.0643 -0.0105 -0.0105 1.1638 1.1638 1.5771 1.5771 2.0094 2.0094 2.2591 2.2591 3.0421 3.0421 3.3643 3.3643 4.0147 4.0147 4.5319 4.5319 5.5841 5.5841 6.8770 6.8770 13.0673 13.0673 15.1152 15.1152 15.8862 15.8862 k = 0.4385-0.4120-0.1422 ( 2855 PWs) bands (ev): -44.0199 -44.0199 -16.2486 -16.2486 -15.9695 -15.9695 -15.8779 -15.8779 -11.4785 -11.4785 -11.0626 -11.0626 -0.0382 -0.0382 1.2112 1.2112 1.5682 1.5682 2.0560 2.0560 2.1880 2.1880 3.0576 3.0576 3.3324 3.3324 4.0207 4.0207 4.5148 4.5148 5.5937 5.5937 6.8852 6.8852 13.0685 13.0685 15.1562 15.1562 15.8920 15.8920 k = 0.4462-0.4192-0.1447 ( 2854 PWs) bands (ev): -44.0197 -44.0197 -16.2510 -16.2510 -15.9693 -15.9693 -15.8774 -15.8774 -11.4686 -11.4686 -11.0611 -11.0611 -0.0627 -0.0627 1.2602 1.2602 1.5603 1.5603 2.0961 2.0961 2.1218 2.1218 3.0717 3.0717 3.3014 3.3014 4.0265 4.0265 4.4992 4.4992 5.6022 5.6022 6.8927 6.8927 13.0685 13.0685 15.1934 15.1934 15.9021 15.9021 k = 0.4538-0.4264-0.1472 ( 2855 PWs) bands (ev): -44.0194 -44.0194 -16.2532 -16.2532 -15.9692 -15.9692 -15.8770 -15.8770 -11.4600 -11.4600 -11.0599 -11.0599 -0.0842 -0.0842 1.3107 1.3107 1.5536 1.5536 2.0464 2.0464 2.1433 2.1433 3.0841 3.0841 3.2719 3.2719 4.0320 4.0320 4.4851 4.4851 5.6096 5.6096 6.8993 6.8993 13.0676 13.0676 15.2262 15.2262 15.9163 15.9163 k = 0.4615-0.4336-0.1497 ( 2855 PWs) bands (ev): -44.0192 -44.0192 -16.2550 -16.2550 -15.9691 -15.9691 -15.8767 -15.8767 -11.4527 -11.4527 -11.0587 -11.0587 -0.1024 -0.1024 1.3625 1.3625 1.5481 1.5481 1.9788 1.9788 2.1796 2.1796 3.0948 3.0948 3.2447 3.2447 4.0369 4.0369 4.4728 4.4728 5.6159 5.6159 6.9050 6.9050 13.0663 13.0663 15.2539 15.2539 15.9334 15.9334 k = 0.4692-0.4409-0.1522 ( 2854 PWs) bands (ev): -44.0190 -44.0190 -16.2565 -16.2565 -15.9690 -15.9690 -15.8764 -15.8764 -11.4467 -11.4467 -11.0578 -11.0578 -0.1173 -0.1173 1.4152 1.4152 1.5444 1.5444 1.9121 1.9121 2.2114 2.2114 3.1036 3.1036 3.2207 3.2207 4.0412 4.0412 4.4624 4.4624 5.6211 5.6211 6.9097 6.9097 13.0649 13.0649 15.2764 15.2764 15.9520 15.9520 k = 0.4769-0.4481-0.1547 ( 2855 PWs) bands (ev): -44.0189 -44.0189 -16.2576 -16.2576 -15.9690 -15.9690 -15.8762 -15.8762 -11.4419 -11.4419 -11.0571 -11.0571 -0.1290 -0.1290 1.4670 1.4670 1.5440 1.5440 1.8468 1.8468 2.2376 2.2376 3.1104 3.1104 3.2008 3.2008 4.0447 4.0447 4.4541 4.4541 5.6251 5.6251 6.9135 6.9135 13.0635 13.0635 15.2937 15.2937 15.9702 15.9702 k = 0.4846-0.4553-0.1572 ( 2853 PWs) bands (ev): -44.0188 -44.0188 -16.2584 -16.2584 -15.9689 -15.9689 -15.8761 -15.8761 -11.4386 -11.4386 -11.0566 -11.0566 -0.1373 -0.1373 1.5083 1.5083 1.5564 1.5564 1.7832 1.7832 2.2571 2.2571 3.1152 3.1152 3.1860 3.1860 4.0473 4.0473 4.4481 4.4481 5.6280 5.6280 6.9162 6.9162 13.0624 13.0624 15.3058 15.3058 15.9857 15.9857 k = 0.4923-0.4626-0.1597 ( 2854 PWs) bands (ev): -44.0187 -44.0187 -16.2590 -16.2590 -15.9689 -15.9689 -15.8760 -15.8760 -11.4366 -11.4366 -11.0563 -11.0563 -0.1423 -0.1423 1.5215 1.5215 1.5979 1.5979 1.7224 1.7224 2.2691 2.2691 3.1179 3.1179 3.1769 3.1769 4.0489 4.0489 4.4444 4.4444 5.6298 5.6298 6.9178 6.9178 13.0616 13.0616 15.3129 15.3129 15.9961 15.9961 k = 0.5000-0.4698-0.1622 ( 2852 PWs) bands (ev): -44.0187 -44.0187 -16.2591 -16.2591 -15.9689 -15.9689 -15.8759 -15.8759 -11.4359 -11.4359 -11.0562 -11.0562 -0.1440 -0.1440 1.5233 1.5233 1.6371 1.6371 1.6795 1.6795 2.2732 2.2732 3.1188 3.1188 3.1738 3.1738 4.0494 4.0494 4.4432 4.4432 5.6304 5.6304 6.9183 6.9183 13.0614 13.0614 15.3153 15.3153 15.9998 15.9998 k = 0.5000-0.4698 0.1678 ( 2866 PWs) bands (ev): -44.0187 -44.0187 -16.2597 -16.2597 -15.9691 -15.9691 -15.8762 -15.8762 -11.3812 -11.3812 -11.1101 -11.1101 -0.2330 -0.2330 1.5171 1.5171 1.6452 1.6452 1.6572 1.6572 2.4180 2.4180 3.1132 3.1132 3.1731 3.1731 4.0192 4.0192 4.4886 4.4886 5.6311 5.6311 6.9914 6.9914 12.7377 12.7377 15.1541 15.1541 17.1045 17.1045 k = 0.4923-0.4626 0.1652 ( 2865 PWs) bands (ev): -44.0187 -44.0187 -16.2595 -16.2595 -15.9691 -15.9691 -15.8763 -15.8763 -11.3819 -11.3819 -11.1101 -11.1101 -0.2312 -0.2312 1.5163 1.5163 1.5995 1.5995 1.7042 1.7042 2.4149 2.4149 3.1123 3.1123 3.1764 3.1764 4.0187 4.0187 4.4898 4.4898 5.6306 5.6306 6.9910 6.9910 12.7378 12.7378 15.1541 15.1541 17.0866 17.0866 k = 0.4846-0.4553 0.1626 ( 2863 PWs) bands (ev): -44.0188 -44.0188 -16.2590 -16.2590 -15.9691 -15.9691 -15.8763 -15.8763 -11.3843 -11.3843 -11.1101 -11.1101 -0.2258 -0.2258 1.5094 1.5094 1.5554 1.5554 1.7566 1.7566 2.4061 2.4061 3.1096 3.1096 3.1861 3.1861 4.0169 4.0169 4.4935 4.4935 5.6288 5.6288 6.9898 6.9898 12.7379 12.7379 15.1541 15.1541 17.0475 17.0475 k = 0.4769-0.4481 0.1600 ( 2867 PWs) bands (ev): -44.0189 -44.0189 -16.2582 -16.2582 -15.9692 -15.9692 -15.8765 -15.8765 -11.3882 -11.3882 -11.1102 -11.1102 -0.2169 -0.2169 1.4780 1.4780 1.5372 1.5372 1.8077 1.8077 2.3929 2.3929 3.1049 3.1049 3.2018 3.2018 4.0141 4.0141 4.4995 4.4995 5.6258 5.6258 6.9877 6.9877 12.7380 12.7380 15.1541 15.1541 16.9993 16.9993 k = 0.4692-0.4409 0.1574 ( 2871 PWs) bands (ev): -44.0190 -44.0190 -16.2570 -16.2570 -15.9693 -15.9693 -15.8767 -15.8767 -11.3937 -11.3937 -11.1102 -11.1102 -0.2044 -0.2044 1.4308 1.4308 1.5366 1.5366 1.8560 1.8560 2.3774 2.3774 3.0983 3.0983 3.2225 3.2225 4.0103 4.0103 4.5079 4.5079 5.6216 5.6216 6.9849 6.9849 12.7380 12.7380 15.1541 15.1541 16.9458 16.9458 k = 0.4615-0.4336 0.1548 ( 2872 PWs) bands (ev): -44.0192 -44.0192 -16.2556 -16.2556 -15.9694 -15.9694 -15.8770 -15.8770 -11.4006 -11.4006 -11.1102 -11.1102 -0.1884 -0.1884 1.3814 1.3814 1.5402 1.5402 1.8989 1.8989 2.3628 2.3628 3.0897 3.0897 3.2473 3.2473 4.0056 4.0056 4.5183 4.5183 5.6162 5.6162 6.9813 6.9813 12.7379 12.7379 15.1541 15.1541 16.8889 16.8889 k = 0.4538-0.4264 0.1523 ( 2870 PWs) bands (ev): -44.0194 -44.0194 -16.2537 -16.2537 -15.9695 -15.9695 -15.8773 -15.8773 -11.4091 -11.4091 -11.1103 -11.1103 -0.1690 -0.1690 1.3323 1.3323 1.5458 1.5458 1.9331 1.9331 2.3535 2.3535 3.0794 3.0794 3.2752 3.2752 4.0001 4.0001 4.5307 4.5307 5.6097 5.6097 6.9769 6.9769 12.7374 12.7374 15.1539 15.1539 16.8296 16.8296 k = 0.4462-0.4192 0.1497 ( 2871 PWs) bands (ev): -44.0197 -44.0197 -16.2516 -16.2516 -15.9696 -15.9696 -15.8777 -15.8777 -11.4191 -11.4191 -11.1104 -11.1104 -0.1461 -0.1461 1.2840 1.2840 1.5526 1.5526 1.9541 1.9541 2.3546 2.3546 3.0674 3.0674 3.3052 3.3052 3.9939 3.9939 4.5450 4.5450 5.6020 5.6020 6.9718 6.9718 12.7364 12.7364 15.1537 15.1537 16.7686 16.7686 k = 0.4385-0.4120 0.1471 ( 2871 PWs) bands (ev): -44.0200 -44.0200 -16.2492 -16.2492 -15.9697 -15.9697 -15.8781 -15.8781 -11.4304 -11.4304 -11.1104 -11.1104 -0.1198 -0.1198 1.2368 1.2368 1.5607 1.5607 1.9587 1.9587 2.3701 2.3701 3.0538 3.0538 3.3366 3.3366 3.9873 3.9873 4.5608 4.5608 5.5932 5.5932 6.9660 6.9660 12.7347 12.7347 15.1533 15.1533 16.7065 16.7065 k = 0.4308-0.4047 0.1445 ( 2869 PWs) bands (ev): -44.0203 -44.0203 -16.2464 -16.2464 -15.9699 -15.9699 -15.8786 -15.8786 -11.4432 -11.4432 -11.1105 -11.1105 -0.0903 -0.0903 1.1907 1.1907 1.5699 1.5699 1.9467 1.9467 2.4004 2.4004 3.0388 3.0388 3.3688 3.3688 3.9802 3.9802 4.5782 4.5782 5.5833 5.5833 6.9595 6.9595 12.7321 12.7321 15.1528 15.1528 16.6437 16.6437 k = 0.4231-0.3975 0.1419 ( 2867 PWs) bands (ev): -44.0206 -44.0206 -16.2434 -16.2434 -15.9700 -15.9700 -15.8791 -15.8791 -11.4573 -11.4573 -11.1106 -11.1106 -0.0575 -0.0575 1.1460 1.1460 1.5801 1.5801 1.9213 1.9213 2.4432 2.4432 3.0225 3.0225 3.4012 3.4012 3.9730 3.9730 4.5969 4.5969 5.5722 5.5722 6.9525 6.9525 12.7282 12.7282 15.1519 15.1519 16.5805 16.5805 k = 0.4154-0.3903 0.1394 ( 2869 PWs) bands (ev): -44.0210 -44.0210 -16.2401 -16.2401 -15.9702 -15.9702 -15.8797 -15.8797 -11.4727 -11.4727 -11.1108 -11.1108 -0.0216 -0.0216 1.1025 1.1025 1.5912 1.5912 1.8864 1.8864 2.4948 2.4948 3.0050 3.0050 3.4333 3.4333 3.9656 3.9656 4.6167 4.6167 5.5601 5.5601 6.9448 6.9448 12.7230 12.7230 15.1506 15.1506 16.5174 16.5174 k = 0.4077-0.3831 0.1368 ( 2869 PWs) bands (ev): -44.0215 -44.0215 -16.2365 -16.2365 -15.9704 -15.9704 -15.8803 -15.8803 -11.4894 -11.4894 -11.1109 -11.1109 0.0172 0.0172 1.0605 1.0605 1.6029 1.6029 1.8452 1.8452 2.5523 2.5523 2.9865 2.9865 3.4647 3.4647 3.9584 3.9584 4.6375 4.6375 5.5469 5.5469 6.9367 6.9367 12.7160 12.7160 15.1490 15.1490 16.4545 16.4545 k = 0.4000-0.3758 0.1342 ( 2869 PWs) bands (ev): -44.0219 -44.0219 -16.2327 -16.2327 -15.9706 -15.9706 -15.8809 -15.8809 -11.5073 -11.5073 -11.1110 -11.1110 0.0590 0.0590 1.0198 1.0198 1.6148 1.6148 1.8005 1.8005 2.6139 2.6139 2.9673 2.9673 3.4950 3.4950 3.9515 3.9515 4.6593 4.6593 5.5327 5.5327 6.9281 6.9281 12.7069 12.7069 15.1468 15.1468 16.3923 16.3923 k = 0.3923-0.3686 0.1316 ( 2871 PWs) bands (ev): -44.0224 -44.0224 -16.2286 -16.2286 -15.9707 -15.9707 -15.8816 -15.8816 -11.5263 -11.5263 -11.1112 -11.1112 0.1034 0.1034 0.9807 0.9807 1.6254 1.6254 1.7552 1.7552 2.6779 2.6779 2.9476 2.9476 3.5239 3.5239 3.9451 3.9451 4.6818 4.6818 5.5174 5.5174 6.9191 6.9191 12.6955 12.6955 15.1440 15.1440 16.3309 16.3309 k = 0.3846-0.3614 0.1290 ( 2870 PWs) bands (ev): -44.0229 -44.0229 -16.2242 -16.2242 -15.9709 -15.9709 -15.8823 -15.8823 -11.5463 -11.5463 -11.1114 -11.1114 0.1504 0.1504 0.9430 0.9430 1.6292 1.6292 1.7155 1.7155 2.7429 2.7429 2.9283 2.9283 3.5509 3.5509 3.9395 3.9395 4.7050 4.7050 5.5012 5.5012 6.9097 6.9097 12.6814 12.6814 15.1405 15.1405 16.2706 16.2706 k = 0.3769-0.3541 0.1265 ( 2869 PWs) bands (ev): -44.0235 -44.0235 -16.2197 -16.2197 -15.9711 -15.9711 -15.8830 -15.8830 -11.5674 -11.5674 -11.1116 -11.1116 0.1997 0.1997 0.9069 0.9069 1.6109 1.6109 1.6977 1.6977 2.8055 2.8055 2.9123 2.9123 3.5758 3.5758 3.9349 3.9349 4.7288 4.7288 5.4840 5.4840 6.9002 6.9002 12.6644 12.6644 15.1361 15.1361 16.2116 16.2116 k = 0.3692-0.3469 0.1239 ( 2868 PWs) bands (ev): -44.0241 -44.0241 -16.2149 -16.2149 -15.9712 -15.9712 -15.8838 -15.8838 -11.5894 -11.5894 -11.1118 -11.1118 0.2511 0.2511 0.8725 0.8725 1.5693 1.5693 1.7035 1.7035 2.8469 2.8469 2.9180 2.9180 3.5981 3.5981 3.9318 3.9318 4.7531 4.7531 5.4658 5.4658 6.8905 6.8905 12.6442 12.6442 15.1309 15.1309 16.1541 16.1541 k = 0.3615-0.3397 0.1213 ( 2869 PWs) bands (ev): -44.0247 -44.0247 -16.2100 -16.2100 -15.9713 -15.9713 -15.8845 -15.8845 -11.6124 -11.6124 -11.1120 -11.1120 0.3040 0.3040 0.8399 0.8399 1.5195 1.5195 1.7182 1.7182 2.8427 2.8427 2.9697 2.9697 3.6174 3.6174 3.9304 3.9304 4.7778 4.7778 5.4468 5.4468 6.8807 6.8807 12.6205 12.6205 15.1247 15.1247 16.0984 16.0984 k = 0.3538-0.3325 0.1187 ( 2865 PWs) bands (ev): -44.0253 -44.0253 -16.2049 -16.2049 -15.9714 -15.9714 -15.8853 -15.8853 -11.6361 -11.6361 -11.1122 -11.1122 0.3580 0.3580 0.8095 0.8095 1.4675 1.4675 1.7363 1.7363 2.8236 2.8236 3.0364 3.0364 3.6334 3.6334 3.9312 3.9312 4.8029 4.8029 5.4268 5.4268 6.8710 6.8710 12.5932 12.5932 15.1175 15.1175 16.0444 16.0444 k = 0.3462-0.3252 0.1161 ( 2863 PWs) bands (ev): -44.0259 -44.0259 -16.1996 -16.1996 -15.9715 -15.9715 -15.8861 -15.8861 -11.6606 -11.6606 -11.1124 -11.1124 0.4121 0.4121 0.7816 0.7816 1.4153 1.4153 1.7563 1.7563 2.8016 2.8016 3.1060 3.1060 3.6459 3.6459 3.9342 3.9342 4.8282 4.8282 5.4059 5.4059 6.8614 6.8614 12.5619 12.5619 15.1091 15.1091 15.9923 15.9923 k = 0.3385-0.3180 0.1136 ( 2863 PWs) bands (ev): -44.0266 -44.0266 -16.1943 -16.1943 -15.9715 -15.9715 -15.8868 -15.8868 -11.6857 -11.6857 -11.1127 -11.1127 0.4646 0.4646 0.7575 0.7575 1.3641 1.3641 1.7778 1.7778 2.7785 2.7785 3.1764 3.1764 3.6549 3.6549 3.9396 3.9396 4.8538 4.8538 5.3842 5.3842 6.8521 6.8521 12.5266 12.5266 15.0995 15.0995 15.9422 15.9422 k = 0.3308-0.3108 0.1110 ( 2863 PWs) bands (ev): -44.0273 -44.0273 -16.1888 -16.1888 -15.9715 -15.9715 -15.8876 -15.8876 -11.7115 -11.7115 -11.1129 -11.1129 0.5124 0.5124 0.7393 0.7393 1.3148 1.3148 1.8004 1.8004 2.7550 2.7550 3.2469 3.2469 3.6606 3.6606 3.9474 3.9474 4.8794 4.8794 5.3617 5.3617 6.8431 6.8431 12.4872 12.4872 15.0885 15.0885 15.8942 15.8942 k = 0.3231-0.3036 0.1084 ( 2864 PWs) bands (ev): -44.0280 -44.0280 -16.1833 -16.1833 -15.9714 -15.9714 -15.8884 -15.8884 -11.7378 -11.7378 -11.1132 -11.1132 0.5495 0.5495 0.7318 0.7318 1.2690 1.2690 1.8240 1.8240 2.7313 2.7313 3.3170 3.3170 3.6634 3.6634 3.9571 3.9571 4.9052 4.9052 5.3384 5.3384 6.8347 6.8347 12.4436 12.4436 15.0762 15.0762 15.8482 15.8482 k = 0.3154-0.2963 0.1058 ( 2860 PWs) bands (ev): -44.0287 -44.0287 -16.1777 -16.1777 -15.9712 -15.9712 -15.8891 -15.8891 -11.7645 -11.7645 -11.1134 -11.1134 0.5684 0.5684 0.7404 0.7404 1.2288 1.2288 1.8485 1.8485 2.7075 2.7075 3.3861 3.3861 3.6640 3.6640 3.9685 3.9685 4.9310 4.9310 5.3143 5.3143 6.8269 6.8269 12.3958 12.3958 15.0624 15.0624 15.8045 15.8045 k = 0.3077-0.2891 0.1032 ( 2859 PWs) bands (ev): -44.0295 -44.0295 -16.1721 -16.1721 -15.9709 -15.9709 -15.8898 -15.8898 -11.7917 -11.7917 -11.1137 -11.1137 0.5683 0.5683 0.7623 0.7623 1.1976 1.1976 1.8740 1.8740 2.6838 2.6838 3.4534 3.4534 3.6635 3.6635 3.9810 3.9810 4.9567 4.9567 5.2895 5.2895 6.8199 6.8199 12.3438 12.3438 15.0470 15.0470 15.7630 15.7630 k = 0.3000-0.2819 0.1007 ( 2861 PWs) bands (ev): -44.0303 -44.0303 -16.1665 -16.1665 -15.9705 -15.9705 -15.8905 -15.8905 -11.8192 -11.8192 -11.1139 -11.1139 0.5565 0.5565 0.7850 0.7850 1.1807 1.1807 1.9002 1.9002 2.6604 2.6604 3.5170 3.5170 3.6640 3.6640 3.9945 3.9945 4.9822 4.9822 5.2640 5.2640 6.8138 6.8138 12.2879 12.2879 15.0297 15.0297 15.7239 15.7239 k = 0.2923-0.2746 0.0981 ( 2861 PWs) bands (ev): -44.0310 -44.0310 -16.1610 -16.1610 -15.9701 -15.9701 -15.8912 -15.8912 -11.8469 -11.8469 -11.1142 -11.1142 0.5392 0.5392 0.7966 0.7966 1.1837 1.1837 1.9271 1.9271 2.6373 2.6373 3.5711 3.5711 3.6713 3.6713 4.0085 4.0085 5.0075 5.0075 5.2380 5.2380 6.8088 6.8088 12.2280 12.2280 15.0105 15.0105 15.6874 15.6874 k = 0.2846-0.2674 0.0955 ( 2862 PWs) bands (ev): -44.0318 -44.0318 -16.1555 -16.1555 -15.9694 -15.9694 -15.8918 -15.8918 -11.8749 -11.8749 -11.1145 -11.1145 0.5194 0.5194 0.7920 0.7920 1.2087 1.2087 1.9547 1.9547 2.6146 2.6146 3.6019 3.6019 3.6994 3.6994 4.0229 4.0229 5.0324 5.0324 5.2115 5.2115 6.8050 6.8050 12.1644 12.1644 14.9890 14.9890 15.6535 15.6535 k = 0.2769-0.2602 0.0929 ( 2861 PWs) bands (ev): -44.0326 -44.0326 -16.1501 -16.1501 -15.9687 -15.9687 -15.8924 -15.8924 -11.9029 -11.9029 -11.1148 -11.1148 0.4982 0.4982 0.7731 0.7731 1.2526 1.2526 1.9828 1.9828 2.5925 2.5925 3.6087 3.6087 3.7490 3.7490 4.0376 4.0376 5.0564 5.0564 5.1849 5.1849 6.8026 6.8026 12.0974 12.0974 14.9652 14.9652 15.6224 15.6224 k = 0.2692-0.2530 0.0903 ( 2861 PWs) bands (ev): -44.0334 -44.0334 -16.1449 -16.1449 -15.9677 -15.9677 -15.8930 -15.8930 -11.9310 -11.9310 -11.1150 -11.1150 0.4760 0.4760 0.7451 0.7451 1.3096 1.3096 2.0113 2.0113 2.5712 2.5712 3.6059 3.6059 3.8054 3.8054 4.0526 4.0526 5.0783 5.0783 5.1596 5.1596 6.8018 6.8018 12.0270 12.0270 14.9388 14.9388 15.5944 15.5944 k = 0.2615-0.2457 0.0877 ( 2859 PWs) bands (ev): -44.0342 -44.0342 -16.1399 -16.1399 -15.9666 -15.9666 -15.8934 -15.8934 -11.9591 -11.9591 -11.1153 -11.1153 0.4528 0.4528 0.7125 0.7125 1.3751 1.3751 2.0400 2.0400 2.5508 2.5508 3.5998 3.5998 3.8619 3.8619 4.0683 4.0683 5.0918 5.0918 5.1417 5.1417 6.8028 6.8028 11.9537 11.9537 14.9096 14.9096 15.5695 15.5695 k = 0.2538-0.2385 0.0852 ( 2858 PWs) bands (ev): -44.0350 -44.0350 -16.1350 -16.1350 -15.9653 -15.9653 -15.8938 -15.8938 -11.9872 -11.9872 -11.1156 -11.1156 0.4285 0.4285 0.6784 0.6784 1.4461 1.4461 2.0686 2.0686 2.5317 2.5317 3.5923 3.5923 3.9159 3.9159 4.0852 4.0852 5.0813 5.0813 5.1469 5.1469 6.8056 6.8056 11.8776 11.8776 14.8775 14.8775 15.5478 15.5478 k = 0.2462-0.2313 0.0826 ( 2857 PWs) bands (ev): -44.0358 -44.0358 -16.1304 -16.1304 -15.9638 -15.9638 -15.8942 -15.8942 -12.0151 -12.0151 -11.1158 -11.1158 0.4027 0.4027 0.6447 0.6447 1.5207 1.5207 2.0970 2.0970 2.5141 2.5141 3.5843 3.5843 3.9654 3.9654 4.1044 4.1044 5.0559 5.0559 5.1660 5.1660 6.8105 6.8105 11.7991 11.7991 14.8427 14.8427 15.5294 15.5294 k = 0.2385-0.2241 0.0800 ( 2857 PWs) bands (ev): -44.0366 -44.0366 -16.1260 -16.1260 -15.9621 -15.9621 -15.8945 -15.8945 -12.0428 -12.0428 -11.1161 -11.1161 0.3750 0.3750 0.6129 0.6129 1.5976 1.5976 2.1246 2.1246 2.4985 2.4985 3.5761 3.5761 4.0080 4.0080 4.1278 4.1278 5.0266 5.0266 5.1879 5.1879 6.8176 6.8176 11.7184 11.7184 14.8050 14.8050 15.5141 15.5141 k = 0.2308-0.2168 0.0774 ( 2858 PWs) bands (ev): -44.0374 -44.0374 -16.1220 -16.1220 -15.9602 -15.9602 -15.8947 -15.8947 -12.0702 -12.0702 -11.1164 -11.1164 0.3454 0.3454 0.5838 0.5838 1.6760 1.6760 2.1508 2.1508 2.4856 2.4856 3.5681 3.5681 4.0418 4.0418 4.1571 4.1571 4.9958 4.9958 5.2104 5.2104 6.8270 6.8270 11.6359 11.6359 14.7648 14.7648 15.5018 15.5018 k = 0.2231-0.2096 0.0748 ( 2861 PWs) bands (ev): -44.0382 -44.0382 -16.1182 -16.1182 -15.9582 -15.9582 -15.8948 -15.8948 -12.0973 -12.0973 -11.1166 -11.1166 0.3138 0.3138 0.5578 0.5578 1.7551 1.7551 2.1747 2.1747 2.4764 2.4764 3.5603 3.5603 4.0668 4.0668 4.1918 4.1918 4.9641 4.9641 5.2328 5.2328 6.8388 6.8388 11.5518 11.5518 14.7221 14.7221 15.4924 15.4924 k = 0.2154-0.2024 0.0723 ( 2860 PWs) bands (ev): -44.0390 -44.0390 -16.1148 -16.1148 -15.9559 -15.9559 -15.8947 -15.8947 -12.1241 -12.1241 -11.1169 -11.1169 0.2804 0.2804 0.5350 0.5350 1.8344 1.8344 2.1955 2.1955 2.4719 2.4719 3.5530 3.5530 4.0854 4.0854 4.2295 4.2295 4.9317 4.9317 5.2549 5.2549 6.8530 6.8530 11.4664 11.4664 14.6773 14.6773 15.4857 15.4857 k = 0.2077-0.1951 0.0697 ( 2862 PWs) bands (ev): -44.0398 -44.0398 -16.1116 -16.1116 -15.9535 -15.9535 -15.8946 -15.8946 -12.1504 -12.1504 -11.1171 -11.1171 0.2456 0.2456 0.5153 0.5153 1.9132 1.9132 2.2121 2.2121 2.4733 2.4733 3.5463 3.5463 4.0999 4.0999 4.2677 4.2677 4.8987 4.8987 5.2766 5.2766 6.8698 6.8698 11.3801 11.3801 14.6307 14.6307 15.4813 15.4813 k = 0.2000-0.1879 0.0671 ( 2864 PWs) bands (ev): -44.0406 -44.0406 -16.1088 -16.1088 -15.9509 -15.9509 -15.8943 -15.8943 -12.1763 -12.1763 -11.1174 -11.1174 0.2097 0.2097 0.4983 0.4983 1.9904 1.9904 2.2242 2.2242 2.4817 2.4817 3.5403 3.5403 4.1120 4.1120 4.3046 4.3046 4.8652 4.8652 5.2979 5.2979 6.8891 6.8891 11.2931 11.2931 14.5825 14.5825 15.4790 15.4790 k = 0.1923-0.1807 0.0645 ( 2867 PWs) bands (ev): -44.0413 -44.0413 -16.1063 -16.1063 -15.9483 -15.9483 -15.8938 -15.8938 -12.2016 -12.2016 -11.1176 -11.1176 0.1733 0.1733 0.4837 0.4837 2.0640 2.0640 2.2331 2.2331 2.4971 2.4971 3.5353 3.5353 4.1224 4.1224 4.3394 4.3394 4.8313 4.8313 5.3186 5.3186 6.9109 6.9109 11.2056 11.2056 14.5330 14.5330 15.4787 15.4787 k = 0.1846-0.1735 0.0619 ( 2870 PWs) bands (ev): -44.0421 -44.0421 -16.1041 -16.1041 -15.9457 -15.9457 -15.8932 -15.8932 -12.2263 -12.2263 -11.1178 -11.1178 0.1367 0.1367 0.4711 0.4711 2.1287 2.1287 2.2448 2.2448 2.5189 2.5189 3.5313 3.5313 4.1317 4.1317 4.3715 4.3715 4.7972 4.7972 5.3388 5.3388 6.9352 6.9352 11.1181 11.1181 14.4826 14.4826 15.4800 15.4800 k = 0.1769-0.1662 0.0594 ( 2867 PWs) bands (ev): -44.0428 -44.0428 -16.1022 -16.1022 -15.9430 -15.9430 -15.8923 -15.8923 -12.2504 -12.2504 -11.1181 -11.1181 0.1004 0.1004 0.4603 0.4603 2.1696 2.1696 2.2745 2.2745 2.5460 2.5460 3.5286 3.5286 4.1402 4.1402 4.4006 4.4006 4.7629 4.7629 5.3584 5.3584 6.9617 6.9617 11.0308 11.0308 14.4316 14.4316 15.4828 15.4828 k = 0.1692-0.1590 0.0568 ( 2867 PWs) bands (ev): -44.0435 -44.0435 -16.1005 -16.1005 -15.9403 -15.9403 -15.8913 -15.8913 -12.2739 -12.2739 -11.1183 -11.1183 0.0645 0.0645 0.4510 0.4510 2.1810 2.1810 2.3287 2.3287 2.5774 2.5774 3.5272 3.5272 4.1480 4.1480 4.4263 4.4263 4.7286 4.7286 5.3774 5.3774 6.9904 6.9904 10.9440 10.9440 14.3802 14.3802 15.4868 15.4868 k = 0.1615-0.1518 0.0542 ( 2868 PWs) bands (ev): -44.0442 -44.0442 -16.0991 -16.0991 -15.9378 -15.9378 -15.8900 -15.8900 -12.2966 -12.2966 -11.1185 -11.1185 0.0294 0.0294 0.4430 0.4430 2.1787 2.1787 2.3920 2.3920 2.6122 2.6122 3.5275 3.5275 4.1553 4.1553 4.4484 4.4484 4.6948 4.6948 5.3957 5.3957 7.0211 7.0211 10.8579 10.8579 14.3287 14.3287 15.4919 15.4919 k = 0.1538-0.1445 0.0516 ( 2871 PWs) bands (ev): -44.0449 -44.0449 -16.0979 -16.0979 -15.9355 -15.9355 -15.8884 -15.8884 -12.3185 -12.3185 -11.1187 -11.1187 -0.0048 -0.0048 0.4361 0.4361 2.1714 2.1714 2.4555 2.4555 2.6500 2.6500 3.5296 3.5296 4.1621 4.1621 4.4663 4.4663 4.6619 4.6619 5.4134 5.4134 7.0534 7.0534 10.7728 10.7728 14.2774 14.2774 15.4979 15.4979 k = 0.1462-0.1373 0.0490 ( 2873 PWs) bands (ev): -44.0455 -44.0455 -16.0970 -16.0970 -15.9333 -15.9333 -15.8866 -15.8866 -12.3397 -12.3397 -11.1188 -11.1188 -0.0379 -0.0379 0.4302 0.4302 2.1619 2.1619 2.5162 2.5162 2.6904 2.6904 3.5337 3.5337 4.1686 4.1686 4.4791 4.4791 4.6313 4.6313 5.4305 5.4305 7.0873 7.0873 10.6891 10.6891 14.2266 14.2266 15.5046 15.5046 k = 0.1385-0.1301 0.0465 ( 2873 PWs) bands (ev): -44.0462 -44.0462 -16.0962 -16.0962 -15.9313 -15.9313 -15.8846 -15.8846 -12.3600 -12.3600 -11.1190 -11.1190 -0.0698 -0.0698 0.4251 0.4251 2.1516 2.1516 2.5727 2.5727 2.7332 2.7332 3.5400 3.5400 4.1747 4.1747 4.4845 4.4845 4.6053 4.6053 5.4468 5.4468 7.1222 7.1222 10.6070 10.6070 14.1764 14.1764 15.5118 15.5118 k = 0.1308-0.1229 0.0439 ( 2868 PWs) bands (ev): -44.0468 -44.0468 -16.0956 -16.0956 -15.9295 -15.9295 -15.8823 -15.8823 -12.3794 -12.3794 -11.1192 -11.1192 -0.1004 -0.1004 0.4208 0.4208 2.1408 2.1408 2.6246 2.6246 2.7777 2.7777 3.5488 3.5488 4.1806 4.1806 4.4790 4.4790 4.5877 4.5877 5.4625 5.4625 7.1580 7.1580 10.5268 10.5268 14.1272 14.1272 15.5195 15.5195 k = 0.1231-0.1156 0.0413 ( 2872 PWs) bands (ev): -44.0473 -44.0473 -16.0951 -16.0951 -15.9280 -15.9280 -15.8799 -15.8799 -12.3979 -12.3979 -11.1193 -11.1193 -0.1296 -0.1296 0.4171 0.4171 2.1301 2.1301 2.6717 2.6717 2.8233 2.8233 3.5601 3.5601 4.1862 4.1862 4.4613 4.4613 4.5801 4.5801 5.4773 5.4773 7.1943 7.1943 10.4488 10.4488 14.0792 14.0792 15.5275 15.5275 k = 0.1154-0.1084 0.0387 ( 2872 PWs) bands (ev): -44.0479 -44.0479 -16.0947 -16.0947 -15.9267 -15.9267 -15.8773 -15.8773 -12.4155 -12.4155 -11.1195 -11.1195 -0.1573 -0.1573 0.4141 0.4141 2.1195 2.1195 2.7144 2.7144 2.8688 2.8688 3.5742 3.5742 4.1916 4.1916 4.4349 4.4349 4.5793 4.5793 5.4914 5.4914 7.2307 7.2307 10.3734 10.3734 14.0326 14.0326 15.5356 15.5356 k = 0.1077-0.1012 0.0361 ( 2873 PWs) bands (ev): -44.0484 -44.0484 -16.0945 -16.0945 -15.9256 -15.9256 -15.8747 -15.8747 -12.4321 -12.4321 -11.1196 -11.1196 -0.1834 -0.1834 0.4115 0.4115 2.1093 2.1093 2.7531 2.7531 2.9134 2.9134 3.5908 3.5908 4.1967 4.1967 4.4040 4.4040 4.5815 4.5815 5.5048 5.5048 7.2670 7.2670 10.3007 10.3007 13.9877 13.9877 15.5438 15.5438 k = 0.1000-0.0940 0.0336 ( 2872 PWs) bands (ev): -44.0489 -44.0489 -16.0943 -16.0943 -15.9246 -15.9246 -15.8720 -15.8720 -12.4476 -12.4476 -11.1197 -11.1197 -0.2080 -0.2080 0.4094 0.4094 2.0995 2.0995 2.7883 2.7883 2.9563 2.9563 3.6099 3.6099 4.2014 4.2014 4.3711 4.3711 4.5844 4.5844 5.5173 5.5173 7.3026 7.3026 10.2313 10.2313 13.9446 13.9446 15.5520 15.5520 k = 0.0923-0.0867 0.0310 ( 2871 PWs) bands (ev): -44.0493 -44.0493 -16.0942 -16.0942 -15.9238 -15.9238 -15.8693 -15.8693 -12.4622 -12.4622 -11.1199 -11.1199 -0.2309 -0.2309 0.4076 0.4076 2.0902 2.0902 2.8200 2.8200 2.9972 2.9972 3.6312 3.6312 4.2057 4.2057 4.3377 4.3377 4.5873 4.5873 5.5289 5.5289 7.3373 7.3373 10.1652 10.1652 13.9037 13.9037 15.5599 15.5599 k = 0.0846-0.0795 0.0284 ( 2873 PWs) bands (ev): -44.0498 -44.0498 -16.0942 -16.0942 -15.9232 -15.9232 -15.8666 -15.8666 -12.4756 -12.4756 -11.1200 -11.1200 -0.2521 -0.2521 0.4062 0.4062 2.0816 2.0816 2.8484 2.8484 3.0358 3.0358 3.6541 3.6541 4.2091 4.2091 4.3049 4.3049 4.5898 4.5898 5.5397 5.5397 7.3708 7.3708 10.1030 10.1030 13.8650 13.8650 15.5676 15.5676 k = 0.0769-0.0723 0.0258 ( 2876 PWs) bands (ev): -44.0502 -44.0502 -16.0942 -16.0942 -15.9226 -15.9226 -15.8641 -15.8641 -12.4880 -12.4880 -11.1201 -11.1201 -0.2716 -0.2716 0.4051 0.4051 2.0735 2.0735 2.8736 2.8736 3.0722 3.0722 3.6781 3.6781 4.2104 4.2104 4.2743 4.2743 4.5918 4.5918 5.5497 5.5497 7.4026 7.4026 10.0448 10.0448 13.8290 13.8290 15.5750 15.5750 k = 0.0692-0.0650 0.0232 ( 2872 PWs) bands (ev): -44.0505 -44.0505 -16.0943 -16.0943 -15.9221 -15.9221 -15.8617 -15.8617 -12.4993 -12.4993 -11.1202 -11.1202 -0.2893 -0.2893 0.4042 0.4042 2.0662 2.0662 2.8956 2.8956 3.1064 3.1064 3.7026 3.7026 4.2054 4.2054 4.2505 4.2505 4.5934 4.5934 5.5587 5.5587 7.4325 7.4325 9.9910 9.9910 13.7956 13.7956 15.5819 15.5819 k = 0.0615-0.0578 0.0206 ( 2872 PWs) bands (ev): -44.0508 -44.0508 -16.0943 -16.0943 -15.9217 -15.9217 -15.8595 -15.8595 -12.5094 -12.5094 -11.1202 -11.1202 -0.3052 -0.3052 0.4035 0.4035 2.0596 2.0596 2.9145 2.9145 3.1385 3.1385 3.7267 3.7267 4.1876 4.1876 4.2404 4.2404 4.5945 4.5945 5.5668 5.5668 7.4601 7.4601 9.9419 9.9419 13.7652 13.7652 15.5884 15.5884 k = 0.0538-0.0506 0.0181 ( 2872 PWs) bands (ev): -44.0511 -44.0511 -16.0944 -16.0944 -15.9214 -15.9214 -15.8575 -15.8575 -12.5184 -12.5184 -11.1203 -11.1203 -0.3193 -0.3193 0.4029 0.4029 2.0536 2.0536 2.9305 2.9305 3.1683 3.1683 3.7500 3.7500 4.1619 4.1619 4.2393 4.2393 4.5954 4.5954 5.5741 5.5741 7.4852 7.4852 9.8978 9.8978 13.7379 13.7379 15.5942 15.5942 k = 0.0462-0.0434 0.0155 ( 2875 PWs) bands (ev): -44.0514 -44.0514 -16.0945 -16.0945 -15.9212 -15.9212 -15.8557 -15.8557 -12.5262 -12.5262 -11.1204 -11.1204 -0.3315 -0.3315 0.4025 0.4025 2.0485 2.0485 2.9438 2.9438 3.1956 3.1956 3.7718 3.7718 4.1352 4.1352 4.2408 4.2408 4.5960 4.5960 5.5803 5.5803 7.5075 7.5075 9.8590 9.8590 13.7138 13.7138 15.5994 15.5994 k = 0.0385-0.0361 0.0129 ( 2878 PWs) bands (ev): -44.0516 -44.0516 -16.0946 -16.0946 -15.9210 -15.9210 -15.8541 -15.8541 -12.5328 -12.5328 -11.1204 -11.1204 -0.3420 -0.3420 0.4022 0.4022 2.0441 2.0441 2.9545 2.9545 3.2200 3.2200 3.7914 3.7914 4.1100 4.1100 4.2430 4.2430 4.5964 4.5964 5.5856 5.5856 7.5268 7.5268 9.8257 9.8257 13.6932 13.6932 15.6039 15.6039 k = 0.0308-0.0289 0.0103 ( 2880 PWs) bands (ev): -44.0518 -44.0518 -16.0947 -16.0947 -15.9208 -15.9208 -15.8529 -15.8529 -12.5383 -12.5383 -11.1205 -11.1205 -0.3505 -0.3505 0.4020 0.4020 2.0405 2.0405 2.9629 2.9629 3.2411 3.2411 3.8086 3.8086 4.0875 4.0875 4.2451 4.2451 4.5967 4.5967 5.5900 5.5900 7.5428 7.5428 9.7981 9.7981 13.6762 13.6762 15.6076 15.6076 k = 0.0231-0.0217 0.0077 ( 2882 PWs) bands (ev): -44.0519 -44.0519 -16.0947 -16.0947 -15.9207 -15.9207 -15.8519 -15.8519 -12.5425 -12.5425 -11.1205 -11.1205 -0.3571 -0.3571 0.4019 0.4019 2.0377 2.0377 2.9693 2.9693 3.2584 3.2584 3.8227 3.8227 4.0686 4.0686 4.2469 4.2469 4.5969 4.5969 5.5934 5.5934 7.5555 7.5555 9.7764 9.7764 13.6628 13.6628 15.6106 15.6106 k = 0.0154-0.0145 0.0052 ( 2883 PWs) bands (ev): -44.0520 -44.0520 -16.0948 -16.0948 -15.9206 -15.9206 -15.8511 -15.8511 -12.5456 -12.5456 -11.1205 -11.1205 -0.3619 -0.3619 0.4018 0.4018 2.0356 2.0356 2.9736 2.9736 3.2712 3.2712 3.8333 3.8333 4.0542 4.0542 4.2483 4.2483 4.5971 4.5971 5.5958 5.5958 7.5646 7.5646 9.7608 9.7608 13.6531 13.6531 15.6127 15.6127 k = 0.0077-0.0072 0.0026 ( 2880 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9206 -15.9206 -15.8506 -15.8506 -12.5474 -12.5474 -11.1205 -11.1205 -0.3648 -0.3648 0.4017 0.4017 2.0344 2.0344 2.9762 2.9762 3.2791 3.2791 3.8400 3.8400 4.0451 4.0451 4.2492 4.2492 4.5972 4.5972 5.5973 5.5973 7.5702 7.5702 9.7514 9.7514 13.6473 13.6473 15.6140 15.6140 k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -44.0521 -44.0521 -16.0948 -16.0948 -15.9205 -15.9205 -15.8505 -15.8505 -12.5480 -12.5480 -11.1205 -11.1205 -0.3657 -0.3657 0.4017 0.4017 2.0340 2.0340 2.9771 2.9771 3.2818 3.2818 3.8423 3.8423 4.0419 4.0419 4.2495 4.2495 4.5972 4.5972 5.5978 5.5978 7.5720 7.5720 9.7482 9.7482 13.6454 13.6454 15.6144 15.6144 Writing output data file NaCuO2.save init_run : 0.18s CPU 0.61s WALL ( 1 calls) electrons : 106.39s CPU 109.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 106.38s CPU 109.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 509 calls) cegterg : 97.41s CPU 98.91s WALL ( 552 calls) Called by sum_band: Called by *egterg: h_psi : 56.28s CPU 57.28s WALL ( 9378 calls) s_psi : 1.76s CPU 1.81s WALL ( 9378 calls) g_psi : 0.17s CPU 0.15s WALL ( 8317 calls) cdiaghg : 37.28s CPU 38.27s WALL ( 8826 calls) cegterg:over : 3.42s CPU 3.41s WALL ( 8317 calls) cegterg:upda : 2.59s CPU 2.48s WALL ( 8317 calls) cegterg:last : 1.69s CPU 1.74s WALL ( 1565 calls) cdiaghg:chol : 1.87s CPU 2.00s WALL ( 8826 calls) cdiaghg:inve : 0.90s CPU 1.01s WALL ( 8826 calls) cdiaghg:para : 2.24s CPU 2.25s WALL ( 17652 calls) Called by h_psi: h_psi:vloc : 51.58s CPU 52.65s WALL ( 9378 calls) h_psi:vnl : 4.59s CPU 4.52s WALL ( 9378 calls) add_vuspsi : 2.32s CPU 2.23s WALL ( 9378 calls) General routines calbec : 2.24s CPU 2.27s WALL ( 9378 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 48.85s CPU 49.69s WALL ( 756880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.24s WALL ( 1018 calls) Parallel routines fft_scatter : 18.29s CPU 18.55s WALL ( 756903 calls) PWSCF : 2m 3.56s CPU 2m33.93s WALL This run was terminated on: 17:59:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=