Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 3:36 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: ./ScCuO2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized 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 59 29 8 1303 461 76 Max 60 30 9 1305 480 79 Sum 2127 1073 321 46923 16921 2805 bravais-lattice index = 14 lattice parameter (alat) = 11.3218 a.u. unit-cell volume = 344.2069 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.321760 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.855975 celldm(5)= 0.855975 celldm(6)= 0.855975 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.855975 0.517017 0.000000 ) a(3) = ( 0.855975 0.238448 0.458747 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.655605 -1.005347 ) b(2) = ( 0.000000 1.934174 -1.005347 ) b(3) = ( 0.000000 0.000000 2.179851 ) 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 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) Sc 11.00 44.95590 Sc( 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= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0086207 -0.0142725 -0.0086668), wk = 0.0026667 k( 3) = ( 0.0172414 -0.0285449 -0.0173336), wk = 0.0026667 k( 4) = ( 0.0258621 -0.0428174 -0.0260003), wk = 0.0026667 k( 5) = ( 0.0344828 -0.0570898 -0.0346671), wk = 0.0026667 k( 6) = ( 0.0431035 -0.0713623 -0.0433339), wk = 0.0026667 k( 7) = ( 0.0517241 -0.0856348 -0.0520007), wk = 0.0026667 k( 8) = ( 0.0603448 -0.0999072 -0.0606675), wk = 0.0026667 k( 9) = ( 0.0689655 -0.1141797 -0.0693343), wk = 0.0026667 k( 10) = ( 0.0775862 -0.1284521 -0.0780010), wk = 0.0026667 k( 11) = ( 0.0862069 -0.1427246 -0.0866678), wk = 0.0026667 k( 12) = ( 0.0948276 -0.1569970 -0.0953346), wk = 0.0026667 k( 13) = ( 0.1034483 -0.1712695 -0.1040014), wk = 0.0026667 k( 14) = ( 0.1120690 -0.1855420 -0.1126682), wk = 0.0026667 k( 15) = ( 0.1206897 -0.1998144 -0.1213350), wk = 0.0026667 k( 16) = ( 0.1293103 -0.2140869 -0.1300017), wk = 0.0026667 k( 17) = ( 0.1379310 -0.2283593 -0.1386685), wk = 0.0026667 k( 18) = ( 0.1465517 -0.2426318 -0.1473353), wk = 0.0026667 k( 19) = ( 0.1551724 -0.2569042 -0.1560021), wk = 0.0026667 k( 20) = ( 0.1637931 -0.2711767 -0.1646689), wk = 0.0026667 k( 21) = ( 0.1724138 -0.2854492 -0.1733356), wk = 0.0026667 k( 22) = ( 0.1810345 -0.2997216 -0.1820024), wk = 0.0026667 k( 23) = ( 0.1896552 -0.3139941 -0.1906692), wk = 0.0026667 k( 24) = ( 0.1982759 -0.3282665 -0.1993360), wk = 0.0026667 k( 25) = ( 0.2068966 -0.3425390 -0.2080028), wk = 0.0026667 k( 26) = ( 0.2155172 -0.3568115 -0.2166696), wk = 0.0026667 k( 27) = ( 0.2241379 -0.3710839 -0.2253363), wk = 0.0026667 k( 28) = ( 0.2327586 -0.3853564 -0.2340031), wk = 0.0026667 k( 29) = ( 0.2413793 -0.3996288 -0.2426699), wk = 0.0026667 k( 30) = ( 0.2500000 -0.4139013 -0.2513367), wk = 0.0026667 k( 31) = ( 0.2586207 -0.4281737 -0.2600035), wk = 0.0026667 k( 32) = ( 0.2672414 -0.4424462 -0.2686702), wk = 0.0026667 k( 33) = ( 0.2758621 -0.4567187 -0.2773370), wk = 0.0026667 k( 34) = ( 0.2844828 -0.4709911 -0.2860038), wk = 0.0026667 k( 35) = ( 0.2931034 -0.4852636 -0.2946706), wk = 0.0026667 k( 36) = ( 0.3017241 -0.4995360 -0.3033374), wk = 0.0026667 k( 37) = ( 0.3103448 -0.5138085 -0.3120042), wk = 0.0026667 k( 38) = ( 0.3189655 -0.5280810 -0.3206709), wk = 0.0026667 k( 39) = ( 0.3275862 -0.5423534 -0.3293377), wk = 0.0026667 k( 40) = ( 0.3362069 -0.5566259 -0.3380045), wk = 0.0026667 k( 41) = ( 0.3448276 -0.5708983 -0.3466713), wk = 0.0026667 k( 42) = ( 0.3534483 -0.5851708 -0.3553381), wk = 0.0026667 k( 43) = ( 0.3620690 -0.5994433 -0.3640049), wk = 0.0026667 k( 44) = ( 0.3706897 -0.6137157 -0.3726716), wk = 0.0026667 k( 45) = ( 0.3793103 -0.6279882 -0.3813384), wk = 0.0026667 k( 46) = ( 0.3879310 -0.6422606 -0.3900052), wk = 0.0026667 k( 47) = ( 0.3965517 -0.6565331 -0.3986720), wk = 0.0026667 k( 48) = ( 0.4051724 -0.6708055 -0.4073388), wk = 0.0026667 k( 49) = ( 0.4137931 -0.6850780 -0.4160055), wk = 0.0026667 k( 50) = ( 0.4224138 -0.6993504 -0.4246723), wk = 0.0026667 k( 51) = ( 0.4310345 -0.7136229 -0.4333391), wk = 0.0026667 k( 52) = ( 0.4396552 -0.7278954 -0.4420059), wk = 0.0026667 k( 53) = ( 0.4482759 -0.7421678 -0.4506727), wk = 0.0026667 k( 54) = ( 0.4568966 -0.7564403 -0.4593395), wk = 0.0026667 k( 55) = ( 0.4655172 -0.7707127 -0.4680062), wk = 0.0026667 k( 56) = ( 0.4741379 -0.7849852 -0.4766730), wk = 0.0026667 k( 57) = ( 0.4827586 -0.7992577 -0.4853398), wk = 0.0026667 k( 58) = ( 0.4913793 -0.8135301 -0.4940066), wk = 0.0026667 k( 59) = ( 0.5000000 -0.8278026 -0.5026734), wk = 0.0026667 k( 60) = ( 0.5000000 -0.8278026 -0.5026734), wk = 0.0026667 k( 61) = ( 0.5000000 -0.8181647 -0.5185451), wk = 0.0026667 k( 62) = ( 0.5000000 -0.8085268 -0.5344167), wk = 0.0026667 k( 63) = ( 0.5000000 -0.7988889 -0.5502884), wk = 0.0026667 k( 64) = ( 0.5000000 -0.7892510 -0.5661601), wk = 0.0026667 k( 65) = ( 0.5000000 -0.7796131 -0.5820318), wk = 0.0026667 k( 66) = ( 0.5000000 -0.7699752 -0.5979035), wk = 0.0026667 k( 67) = ( 0.5000000 -0.7603373 -0.6137751), wk = 0.0026667 k( 68) = ( 0.5000000 -0.7506994 -0.6296468), wk = 0.0026667 k( 69) = ( 0.5000000 -0.7410616 -0.6455185), wk = 0.0026667 k( 70) = ( 0.5000000 -0.7314237 -0.6613901), wk = 0.0026667 k( 71) = ( 0.5000000 -0.7217858 -0.6772618), wk = 0.0026667 k( 72) = ( 0.5000000 -0.7121479 -0.6931335), wk = 0.0026667 k( 73) = ( 0.5000000 -0.7025100 -0.7090052), wk = 0.0026667 k( 74) = ( 0.5000000 -0.6928721 -0.7248769), wk = 0.0026667 k( 75) = ( 0.5000000 -0.6832342 -0.7407486), wk = 0.0026667 k( 76) = ( 0.5000000 -0.6735963 -0.7566202), wk = 0.0026667 k( 77) = ( 0.5000000 -0.6639584 -0.7724919), wk = 0.0026667 k( 78) = ( 0.5000000 -0.6543206 -0.7883636), wk = 0.0026667 k( 79) = ( 0.5000000 -0.6446827 -0.8042353), wk = 0.0026667 k( 80) = ( 0.5000000 -0.6350448 -0.8201070), wk = 0.0026667 k( 81) = ( 0.5000000 -0.6254069 -0.8359786), wk = 0.0026667 k( 82) = ( 0.5000000 -0.6157690 -0.8518503), wk = 0.0026667 k( 83) = ( 0.5000000 -0.6061311 -0.8677220), wk = 0.0026667 k( 84) = ( 0.5000000 -0.5964932 -0.8835937), wk = 0.0026667 k( 85) = ( 0.5000000 -0.5868553 -0.8994654), wk = 0.0026667 k( 86) = ( 0.5000000 -0.5772174 -0.9153370), wk = 0.0026667 k( 87) = ( 0.5000000 -0.5675795 -0.9312087), wk = 0.0026667 k( 88) = ( 0.5000000 -0.5579416 -0.9470804), wk = 0.0026667 k( 89) = ( 0.5000000 -0.5483037 -0.9629521), wk = 0.0026667 k( 90) = ( 0.5000000 -0.5386659 -0.9788237), wk = 0.0026667 k( 91) = ( 0.5000000 -0.5290280 -0.9946954), wk = 0.0026667 k( 92) = ( 0.5000000 -0.5193901 -1.0105671), wk = 0.0026667 k( 93) = ( 0.5000000 -0.5097522 -1.0264388), wk = 0.0026667 k( 94) = ( 0.5000000 -0.5001143 -1.0423105), wk = 0.0026667 k( 95) = ( 0.5000000 -0.4904764 -1.0581821), wk = 0.0026667 k( 96) = ( 0.5000000 -0.4808385 -1.0740538), wk = 0.0026667 k( 97) = ( 0.5000000 -0.4712006 -1.0899255), wk = 0.0026667 k( 98) = ( 0.8156309 -0.3832758 -0.9207680), wk = 0.0026667 k( 99) = ( 0.8105400 -0.3748474 -0.9045527), wk = 0.0026667 k( 100) = ( 0.8054492 -0.3664190 -0.8883374), wk = 0.0026667 k( 101) = ( 0.8003584 -0.3579906 -0.8721222), wk = 0.0026667 k( 102) = ( 0.7952676 -0.3495622 -0.8559069), wk = 0.0026667 k( 103) = ( 0.7901768 -0.3411338 -0.8396916), wk = 0.0026667 k( 104) = ( 0.7850860 -0.3327054 -0.8234764), wk = 0.0026667 k( 105) = ( 0.7799951 -0.3242770 -0.8072611), wk = 0.0026667 k( 106) = ( 0.7749043 -0.3158487 -0.7910458), wk = 0.0026667 k( 107) = ( 0.7698135 -0.3074202 -0.7748305), wk = 0.0026667 k( 108) = ( 0.7647227 -0.2989919 -0.7586152), wk = 0.0026667 k( 109) = ( 0.7596318 -0.2905635 -0.7424000), wk = 0.0026667 k( 110) = ( 0.7545410 -0.2821351 -0.7261847), wk = 0.0026667 k( 111) = ( 0.7494502 -0.2737067 -0.7099694), wk = 0.0026667 k( 112) = ( 0.7443594 -0.2652783 -0.6937542), wk = 0.0026667 k( 113) = ( 0.7392686 -0.2568499 -0.6775389), wk = 0.0026667 k( 114) = ( 0.7341777 -0.2484215 -0.6613236), wk = 0.0026667 k( 115) = ( 0.7290869 -0.2399931 -0.6451084), wk = 0.0026667 k( 116) = ( 0.7239961 -0.2315648 -0.6288931), wk = 0.0026667 k( 117) = ( 0.7189053 -0.2231364 -0.6126778), wk = 0.0026667 k( 118) = ( 0.7138145 -0.2147080 -0.5964626), wk = 0.0026667 k( 119) = ( 0.7087236 -0.2062796 -0.5802473), wk = 0.0026667 k( 120) = ( 0.7036328 -0.1978512 -0.5640320), wk = 0.0026667 k( 121) = ( 0.6985420 -0.1894228 -0.5478168), wk = 0.0026667 k( 122) = ( 0.6934512 -0.1809944 -0.5316015), wk = 0.0026667 k( 123) = ( 0.6883604 -0.1725660 -0.5153862), wk = 0.0026667 k( 124) = ( 0.6832695 -0.1641377 -0.4991710), wk = 0.0026667 k( 125) = ( 0.6781787 -0.1557093 -0.4829557), wk = 0.0026667 k( 126) = ( 0.6730879 -0.1472809 -0.4667404), wk = 0.0026667 k( 127) = ( 0.6679971 -0.1388525 -0.4505251), wk = 0.0026667 k( 128) = ( 0.6629063 -0.1304241 -0.4343098), wk = 0.0026667 k( 129) = ( 0.6578154 -0.1219957 -0.4180946), wk = 0.0026667 k( 130) = ( 0.6527246 -0.1135673 -0.4018793), wk = 0.0026667 k( 131) = ( 0.6476338 -0.1051389 -0.3856640), wk = 0.0026667 k( 132) = ( 0.6425430 -0.0967105 -0.3694488), wk = 0.0026667 k( 133) = ( 0.6374521 -0.0882821 -0.3532335), wk = 0.0026667 k( 134) = ( 0.6323613 -0.0798538 -0.3370182), wk = 0.0026667 k( 135) = ( 0.6272705 -0.0714254 -0.3208030), wk = 0.0026667 k( 136) = ( 0.6221797 -0.0629970 -0.3045877), wk = 0.0026667 k( 137) = ( 0.6170889 -0.0545686 -0.2883724), wk = 0.0026667 k( 138) = ( 0.6119980 -0.0461402 -0.2721572), wk = 0.0026667 k( 139) = ( 0.6069072 -0.0377118 -0.2559419), wk = 0.0026667 k( 140) = ( 0.6018164 -0.0292834 -0.2397266), wk = 0.0026667 k( 141) = ( 0.5967256 -0.0208550 -0.2235114), wk = 0.0026667 k( 142) = ( 0.5916348 -0.0124267 -0.2072961), wk = 0.0026667 k( 143) = ( 0.5865440 -0.0039983 -0.1910808), wk = 0.0026667 k( 144) = ( 0.5814531 0.0044301 -0.1748656), wk = 0.0026667 k( 145) = ( 0.5763623 0.0128585 -0.1586503), wk = 0.0026667 k( 146) = ( 0.5712715 0.0212869 -0.1424350), wk = 0.0026667 k( 147) = ( 0.5661807 0.0297153 -0.1262197), wk = 0.0026667 k( 148) = ( 0.5610899 0.0381437 -0.1100045), wk = 0.0026667 k( 149) = ( 0.5559990 0.0465721 -0.0937892), wk = 0.0026667 k( 150) = ( 0.5509082 0.0550005 -0.0775739), wk = 0.0026667 k( 151) = ( 0.5458174 0.0634288 -0.0613586), wk = 0.0026667 k( 152) = ( 0.5407266 0.0718572 -0.0451434), wk = 0.0026667 k( 153) = ( 0.5356357 0.0802856 -0.0289281), wk = 0.0026667 k( 154) = ( 0.5305449 0.0887140 -0.0127128), wk = 0.0026667 k( 155) = ( 0.5254541 0.0971424 0.0035024), wk = 0.0026667 k( 156) = ( 0.5203633 0.1055708 0.0197177), wk = 0.0026667 k( 157) = ( 0.5152725 0.1139992 0.0359330), wk = 0.0026667 k( 158) = ( 0.5101816 0.1224276 0.0521482), wk = 0.0026667 k( 159) = ( 0.5050908 0.1308560 0.0683635), wk = 0.0026667 k( 160) = ( 0.5000000 0.1392843 0.0845788), wk = 0.0026667 k( 161) = ( 0.5000000 0.1392843 0.0845788), wk = 0.0026667 k( 162) = ( 0.4821429 0.1343099 0.0815581), wk = 0.0026667 k( 163) = ( 0.4642857 0.1293355 0.0785374), wk = 0.0026667 k( 164) = ( 0.4464286 0.1243610 0.0755168), wk = 0.0026667 k( 165) = ( 0.4285714 0.1193866 0.0724961), wk = 0.0026667 k( 166) = ( 0.4107143 0.1144121 0.0694754), wk = 0.0026667 k( 167) = ( 0.3928571 0.1094377 0.0664548), wk = 0.0026667 k( 168) = ( 0.3750000 0.1044633 0.0634341), wk = 0.0026667 k( 169) = ( 0.3571429 0.0994888 0.0604134), wk = 0.0026667 k( 170) = ( 0.3392857 0.0945144 0.0573927), wk = 0.0026667 k( 171) = ( 0.3214286 0.0895399 0.0543721), wk = 0.0026667 k( 172) = ( 0.3035714 0.0845655 0.0513514), wk = 0.0026667 k( 173) = ( 0.2857143 0.0795911 0.0483307), wk = 0.0026667 k( 174) = ( 0.2678571 0.0746166 0.0453101), wk = 0.0026667 k( 175) = ( 0.2500000 0.0696422 0.0422894), wk = 0.0026667 k( 176) = ( 0.2321429 0.0646677 0.0392687), wk = 0.0026667 k( 177) = ( 0.2142857 0.0596933 0.0362480), wk = 0.0026667 k( 178) = ( 0.1964286 0.0547188 0.0332274), wk = 0.0026667 k( 179) = ( 0.1785714 0.0497444 0.0302067), wk = 0.0026667 k( 180) = ( 0.1607143 0.0447700 0.0271860), wk = 0.0026667 k( 181) = ( 0.1428571 0.0397955 0.0241654), wk = 0.0026667 k( 182) = ( 0.1250000 0.0348211 0.0211447), wk = 0.0026667 k( 183) = ( 0.1071429 0.0298466 0.0181240), wk = 0.0026667 k( 184) = ( 0.0892857 0.0248722 0.0151034), wk = 0.0026667 k( 185) = ( 0.0714286 0.0198978 0.0120827), wk = 0.0026667 k( 186) = ( 0.0535714 0.0149233 0.0090620), wk = 0.0026667 k( 187) = ( 0.0357143 0.0099489 0.0060413), wk = 0.0026667 k( 188) = ( 0.0178571 0.0049744 0.0030207), wk = 0.0026667 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 191) = ( 0.0051072 -0.0084556 -0.0162675), wk = 0.0026667 k( 192) = ( 0.0102145 -0.0169111 -0.0325351), wk = 0.0026667 k( 193) = ( 0.0153217 -0.0253667 -0.0488026), wk = 0.0026667 k( 194) = ( 0.0204289 -0.0338222 -0.0650702), wk = 0.0026667 k( 195) = ( 0.0255362 -0.0422778 -0.0813377), wk = 0.0026667 k( 196) = ( 0.0306434 -0.0507334 -0.0976053), wk = 0.0026667 k( 197) = ( 0.0357506 -0.0591889 -0.1138728), wk = 0.0026667 k( 198) = ( 0.0408579 -0.0676445 -0.1301404), wk = 0.0026667 k( 199) = ( 0.0459651 -0.0761000 -0.1464079), wk = 0.0026667 k( 200) = ( 0.0510723 -0.0845556 -0.1626754), wk = 0.0026667 k( 201) = ( 0.0561796 -0.0930112 -0.1789430), wk = 0.0026667 k( 202) = ( 0.0612868 -0.1014667 -0.1952105), wk = 0.0026667 k( 203) = ( 0.0663940 -0.1099223 -0.2114781), wk = 0.0026667 k( 204) = ( 0.0715013 -0.1183778 -0.2277456), wk = 0.0026667 k( 205) = ( 0.0766085 -0.1268334 -0.2440132), wk = 0.0026667 k( 206) = ( 0.0817157 -0.1352890 -0.2602807), wk = 0.0026667 k( 207) = ( 0.0868229 -0.1437445 -0.2765483), wk = 0.0026667 k( 208) = ( 0.0919302 -0.1522001 -0.2928158), wk = 0.0026667 k( 209) = ( 0.0970374 -0.1606556 -0.3090833), wk = 0.0026667 k( 210) = ( 0.1021447 -0.1691112 -0.3253509), wk = 0.0026667 k( 211) = ( 0.1072519 -0.1775668 -0.3416184), wk = 0.0026667 k( 212) = ( 0.1123591 -0.1860223 -0.3578860), wk = 0.0026667 k( 213) = ( 0.1174663 -0.1944779 -0.3741535), wk = 0.0026667 k( 214) = ( 0.1225736 -0.2029335 -0.3904211), wk = 0.0026667 k( 215) = ( 0.1276808 -0.2113890 -0.4066886), wk = 0.0026667 k( 216) = ( 0.1327880 -0.2198446 -0.4229562), wk = 0.0026667 k( 217) = ( 0.1378953 -0.2283001 -0.4392237), wk = 0.0026667 k( 218) = ( 0.1430025 -0.2367557 -0.4554913), wk = 0.0026667 k( 219) = ( 0.1481097 -0.2452112 -0.4717588), wk = 0.0026667 k( 220) = ( 0.1532170 -0.2536668 -0.4880264), wk = 0.0026667 k( 221) = ( 0.1583242 -0.2621224 -0.5042939), wk = 0.0026667 k( 222) = ( 0.1634314 -0.2705779 -0.5205614), wk = 0.0026667 k( 223) = ( 0.1685387 -0.2790335 -0.5368290), wk = 0.0026667 k( 224) = ( 0.1736459 -0.2874890 -0.5530965), wk = 0.0026667 k( 225) = ( 0.1787531 -0.2959446 -0.5693641), wk = 0.0026667 k( 226) = ( 0.1838604 -0.3044002 -0.5856316), wk = 0.0026667 k( 227) = ( 0.1889676 -0.3128557 -0.6018992), wk = 0.0026667 k( 228) = ( 0.1940748 -0.3213113 -0.6181667), wk = 0.0026667 k( 229) = ( 0.1991821 -0.3297668 -0.6344343), wk = 0.0026667 k( 230) = ( 0.2042893 -0.3382224 -0.6507018), wk = 0.0026667 k( 231) = ( 0.2093965 -0.3466780 -0.6669694), wk = 0.0026667 k( 232) = ( 0.2145038 -0.3551335 -0.6832369), wk = 0.0026667 k( 233) = ( 0.2196110 -0.3635891 -0.6995044), wk = 0.0026667 k( 234) = ( 0.2247182 -0.3720446 -0.7157720), wk = 0.0026667 k( 235) = ( 0.2298254 -0.3805002 -0.7320395), wk = 0.0026667 k( 236) = ( 0.2349327 -0.3889558 -0.7483071), wk = 0.0026667 k( 237) = ( 0.2400399 -0.3974113 -0.7645746), wk = 0.0026667 k( 238) = ( 0.2451472 -0.4058669 -0.7808422), wk = 0.0026667 k( 239) = ( 0.2502544 -0.4143224 -0.7971097), wk = 0.0026667 k( 240) = ( 0.2553616 -0.4227780 -0.8133773), wk = 0.0026667 k( 241) = ( 0.2604688 -0.4312336 -0.8296448), wk = 0.0026667 k( 242) = ( 0.2655761 -0.4396891 -0.8459123), wk = 0.0026667 k( 243) = ( 0.2706833 -0.4481447 -0.8621799), wk = 0.0026667 k( 244) = ( 0.2757906 -0.4566003 -0.8784474), wk = 0.0026667 k( 245) = ( 0.2808978 -0.4650558 -0.8947150), wk = 0.0026667 k( 246) = ( 0.2860050 -0.4735114 -0.9109825), wk = 0.0026667 k( 247) = ( 0.2911122 -0.4819669 -0.9272501), wk = 0.0026667 k( 248) = ( 0.2962195 -0.4904225 -0.9435176), wk = 0.0026667 k( 249) = ( 0.3013267 -0.4988781 -0.9597852), wk = 0.0026667 k( 250) = ( 0.3064339 -0.5073336 -0.9760527), wk = 0.0026667 k( 251) = ( 0.3115412 -0.5157892 -0.9923202), wk = 0.0026667 k( 252) = ( 0.3166484 -0.5242447 -1.0085878), wk = 0.0026667 k( 253) = ( 0.3217556 -0.5327003 -1.0248553), wk = 0.0026667 k( 254) = ( 0.3268629 -0.5411559 -1.0411229), wk = 0.0026667 k( 255) = ( 0.3319701 -0.5496114 -1.0573904), wk = 0.0026667 k( 256) = ( 0.3370773 -0.5580670 -1.0736580), wk = 0.0026667 k( 257) = ( 0.3421846 -0.5665225 -1.0899255), wk = 0.0026667 k( 258) = ( 0.6578154 -0.4272382 -1.0053467), wk = 0.0026667 k( 259) = ( 0.6527246 -0.4089633 -1.0053467), wk = 0.0026667 k( 260) = ( 0.6476338 -0.3906883 -1.0053467), wk = 0.0026667 k( 261) = ( 0.6425430 -0.3724134 -1.0053467), wk = 0.0026667 k( 262) = ( 0.6374521 -0.3541385 -1.0053467), wk = 0.0026667 k( 263) = ( 0.6323613 -0.3358636 -1.0053467), wk = 0.0026667 k( 264) = ( 0.6272705 -0.3175887 -1.0053467), wk = 0.0026667 k( 265) = ( 0.6221797 -0.2993137 -1.0053467), wk = 0.0026667 k( 266) = ( 0.6170889 -0.2810388 -1.0053467), wk = 0.0026667 k( 267) = ( 0.6119980 -0.2627639 -1.0053467), wk = 0.0026667 k( 268) = ( 0.6069072 -0.2444890 -1.0053467), wk = 0.0026667 k( 269) = ( 0.6018164 -0.2262141 -1.0053467), wk = 0.0026667 k( 270) = ( 0.5967256 -0.2079392 -1.0053467), wk = 0.0026667 k( 271) = ( 0.5916348 -0.1896642 -1.0053467), wk = 0.0026667 k( 272) = ( 0.5865440 -0.1713893 -1.0053467), wk = 0.0026667 k( 273) = ( 0.5814531 -0.1531144 -1.0053467), wk = 0.0026667 k( 274) = ( 0.5763623 -0.1348395 -1.0053467), wk = 0.0026667 k( 275) = ( 0.5712715 -0.1165646 -1.0053467), wk = 0.0026667 k( 276) = ( 0.5661807 -0.0982896 -1.0053467), wk = 0.0026667 k( 277) = ( 0.5610899 -0.0800147 -1.0053467), wk = 0.0026667 k( 278) = ( 0.5559990 -0.0617398 -1.0053467), wk = 0.0026667 k( 279) = ( 0.5509082 -0.0434648 -1.0053467), wk = 0.0026667 k( 280) = ( 0.5458174 -0.0251899 -1.0053467), wk = 0.0026667 k( 281) = ( 0.5407266 -0.0069150 -1.0053467), wk = 0.0026667 k( 282) = ( 0.5356357 0.0113599 -1.0053467), wk = 0.0026667 k( 283) = ( 0.5305449 0.0296348 -1.0053467), wk = 0.0026667 k( 284) = ( 0.5254541 0.0479097 -1.0053467), wk = 0.0026667 k( 285) = ( 0.5203633 0.0661847 -1.0053467), wk = 0.0026667 k( 286) = ( 0.5152725 0.0844596 -1.0053467), wk = 0.0026667 k( 287) = ( 0.5101816 0.1027345 -1.0053467), wk = 0.0026667 k( 288) = ( 0.5050908 0.1210094 -1.0053467), wk = 0.0026667 k( 289) = ( 0.5000000 0.1392843 -1.0053467), wk = 0.0026667 k( 290) = ( 0.5000000 0.1392843 -1.0053467), wk = 0.0026667 k( 291) = ( 0.5157815 0.1436806 -0.9968889), wk = 0.0026667 k( 292) = ( 0.5315631 0.1480768 -0.9884310), wk = 0.0026667 k( 293) = ( 0.5473446 0.1524731 -0.9799731), wk = 0.0026667 k( 294) = ( 0.5631262 0.1568693 -0.9715152), wk = 0.0026667 k( 295) = ( 0.5789077 0.1612656 -0.9630573), wk = 0.0026667 k( 296) = ( 0.5946893 0.1656618 -0.9545995), wk = 0.0026667 k( 297) = ( 0.6104708 0.1700580 -0.9461416), wk = 0.0026667 k( 298) = ( 0.6262524 0.1744543 -0.9376837), wk = 0.0026667 k( 299) = ( 0.6420339 0.1788505 -0.9292258), wk = 0.0026667 k( 300) = ( 0.6578154 0.1832468 -0.9207680), wk = 0.0026667 k( 301) = ( 0.6578154 0.1832468 -0.9207680), wk = 0.0026667 k( 302) = ( 0.6548929 0.1824327 -0.9021504), wk = 0.0026667 k( 303) = ( 0.6519704 0.1816185 -0.8835329), wk = 0.0026667 k( 304) = ( 0.6490479 0.1808044 -0.8649154), wk = 0.0026667 k( 305) = ( 0.6461254 0.1799903 -0.8462978), wk = 0.0026667 k( 306) = ( 0.6432029 0.1791762 -0.8276803), wk = 0.0026667 k( 307) = ( 0.6402804 0.1783621 -0.8090628), wk = 0.0026667 k( 308) = ( 0.6373579 0.1775479 -0.7904452), wk = 0.0026667 k( 309) = ( 0.6344354 0.1767338 -0.7718277), wk = 0.0026667 k( 310) = ( 0.6315129 0.1759197 -0.7532102), wk = 0.0026667 k( 311) = ( 0.6285903 0.1751056 -0.7345926), wk = 0.0026667 k( 312) = ( 0.6256679 0.1742915 -0.7159751), wk = 0.0026667 k( 313) = ( 0.6227453 0.1734773 -0.6973576), wk = 0.0026667 k( 314) = ( 0.6198228 0.1726632 -0.6787400), wk = 0.0026667 k( 315) = ( 0.6169003 0.1718491 -0.6601225), wk = 0.0026667 k( 316) = ( 0.6139778 0.1710350 -0.6415050), wk = 0.0026667 k( 317) = ( 0.6110553 0.1702209 -0.6228875), wk = 0.0026667 k( 318) = ( 0.6081328 0.1694068 -0.6042699), wk = 0.0026667 k( 319) = ( 0.6052103 0.1685926 -0.5856524), wk = 0.0026667 k( 320) = ( 0.6022878 0.1677785 -0.5670348), wk = 0.0026667 k( 321) = ( 0.5993653 0.1669644 -0.5484173), wk = 0.0026667 k( 322) = ( 0.5964428 0.1661503 -0.5297998), wk = 0.0026667 k( 323) = ( 0.5935203 0.1653362 -0.5111822), wk = 0.0026667 k( 324) = ( 0.5905978 0.1645220 -0.4925647), wk = 0.0026667 k( 325) = ( 0.5876752 0.1637079 -0.4739472), wk = 0.0026667 k( 326) = ( 0.5847527 0.1628938 -0.4553297), wk = 0.0026667 k( 327) = ( 0.5818302 0.1620797 -0.4367121), wk = 0.0026667 k( 328) = ( 0.5789077 0.1612656 -0.4180946), wk = 0.0026667 k( 329) = ( 0.5759852 0.1604514 -0.3994771), wk = 0.0026667 k( 330) = ( 0.5730627 0.1596373 -0.3808595), wk = 0.0026667 k( 331) = ( 0.5701402 0.1588232 -0.3622420), wk = 0.0026667 k( 332) = ( 0.5672177 0.1580091 -0.3436245), wk = 0.0026667 k( 333) = ( 0.5642952 0.1571950 -0.3250069), wk = 0.0026667 k( 334) = ( 0.5613727 0.1563808 -0.3063894), wk = 0.0026667 k( 335) = ( 0.5584502 0.1555667 -0.2877719), wk = 0.0026667 k( 336) = ( 0.5555277 0.1547526 -0.2691543), wk = 0.0026667 k( 337) = ( 0.5526051 0.1539385 -0.2505368), wk = 0.0026667 k( 338) = ( 0.5496826 0.1531244 -0.2319193), wk = 0.0026667 k( 339) = ( 0.5467601 0.1523102 -0.2133017), wk = 0.0026667 k( 340) = ( 0.5438376 0.1514961 -0.1946842), wk = 0.0026667 k( 341) = ( 0.5409151 0.1506820 -0.1760667), wk = 0.0026667 k( 342) = ( 0.5379926 0.1498679 -0.1574491), wk = 0.0026667 k( 343) = ( 0.5350701 0.1490538 -0.1388316), wk = 0.0026667 k( 344) = ( 0.5321476 0.1482397 -0.1202141), wk = 0.0026667 k( 345) = ( 0.5292251 0.1474255 -0.1015965), wk = 0.0026667 k( 346) = ( 0.5263026 0.1466114 -0.0829790), wk = 0.0026667 k( 347) = ( 0.5233801 0.1457973 -0.0643615), wk = 0.0026667 k( 348) = ( 0.5204576 0.1449832 -0.0457440), wk = 0.0026667 k( 349) = ( 0.5175350 0.1441691 -0.0271264), wk = 0.0026667 k( 350) = ( 0.5146125 0.1433549 -0.0085089), wk = 0.0026667 k( 351) = ( 0.5116900 0.1425408 0.0101087), wk = 0.0026667 k( 352) = ( 0.5087675 0.1417267 0.0287262), wk = 0.0026667 k( 353) = ( 0.5058450 0.1409126 0.0473437), wk = 0.0026667 k( 354) = ( 0.5029225 0.1400985 0.0659612), wk = 0.0026667 k( 355) = ( 0.5000000 0.1392843 0.0845788), wk = 0.0026667 k( 356) = ( 0.5000000 -0.8278026 -0.5026734), wk = 0.0026667 k( 357) = ( 0.5166122 -0.8204718 -0.4982219), wk = 0.0026667 k( 358) = ( 0.5332243 -0.8131411 -0.4937703), wk = 0.0026667 k( 359) = ( 0.5498365 -0.8058103 -0.4893188), wk = 0.0026667 k( 360) = ( 0.5664486 -0.7984795 -0.4848673), wk = 0.0026667 k( 361) = ( 0.5830608 -0.7911488 -0.4804158), wk = 0.0026667 k( 362) = ( 0.5996729 -0.7838181 -0.4759643), wk = 0.0026667 k( 363) = ( 0.6162851 -0.7764873 -0.4715128), wk = 0.0026667 k( 364) = ( 0.6328972 -0.7691565 -0.4670613), wk = 0.0026667 k( 365) = ( 0.6495094 -0.7618258 -0.4626097), wk = 0.0026667 k( 366) = ( 0.6661215 -0.7544950 -0.4581582), wk = 0.0026667 k( 367) = ( 0.6827337 -0.7471643 -0.4537067), wk = 0.0026667 k( 368) = ( 0.6993458 -0.7398335 -0.4492552), wk = 0.0026667 k( 369) = ( 0.7159580 -0.7325028 -0.4448037), wk = 0.0026667 k( 370) = ( 0.7325701 -0.7251720 -0.4403522), wk = 0.0026667 k( 371) = ( 0.7491823 -0.7178412 -0.4359006), wk = 0.0026667 k( 372) = ( 0.7657944 -0.7105105 -0.4314491), wk = 0.0026667 k( 373) = ( 0.7824066 -0.7031797 -0.4269976), wk = 0.0026667 k( 374) = ( 0.7990187 -0.6958490 -0.4225461), wk = 0.0026667 k( 375) = ( 0.8156309 -0.6885182 -0.4180946), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0086207 -0.0000000 0.0000000), wk = 0.0026667 k( 3) = ( 0.0172414 -0.0000000 0.0000000), wk = 0.0026667 k( 4) = ( 0.0258621 -0.0000000 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0344828 -0.0000000 0.0000000), wk = 0.0026667 k( 6) = ( 0.0431035 0.0000000 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0603448 -0.0000000 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0689655 -0.0000000 0.0000000), wk = 0.0026667 k( 10) = ( 0.0775862 -0.0000000 -0.0000000), wk = 0.0026667 k( 11) = ( 0.0862069 0.0000000 -0.0000000), wk = 0.0026667 k( 12) = ( 0.0948276 0.0000000 -0.0000000), wk = 0.0026667 k( 13) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0026667 k( 14) = ( 0.1120690 -0.0000000 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0026667 k( 16) = ( 0.1293103 0.0000000 0.0000000), wk = 0.0026667 k( 17) = ( 0.1379310 -0.0000000 0.0000000), wk = 0.0026667 k( 18) = ( 0.1465517 0.0000000 0.0000000), wk = 0.0026667 k( 19) = ( 0.1551724 0.0000000 -0.0000000), wk = 0.0026667 k( 20) = ( 0.1637931 -0.0000000 -0.0000000), wk = 0.0026667 k( 21) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0026667 k( 22) = ( 0.1810345 -0.0000000 0.0000000), wk = 0.0026667 k( 23) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0026667 k( 24) = ( 0.1982759 -0.0000000 -0.0000000), wk = 0.0026667 k( 25) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0026667 k( 26) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0026667 k( 27) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0026667 k( 28) = ( 0.2327586 -0.0000000 -0.0000000), wk = 0.0026667 k( 29) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0026667 k( 30) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0026667 k( 31) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0026667 k( 32) = ( 0.2672414 0.0000000 0.0000000), wk = 0.0026667 k( 33) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0026667 k( 34) = ( 0.2844828 -0.0000000 0.0000000), wk = 0.0026667 k( 35) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0026667 k( 36) = ( 0.3017241 -0.0000000 0.0000000), wk = 0.0026667 k( 37) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0026667 k( 38) = ( 0.3189655 -0.0000000 -0.0000000), wk = 0.0026667 k( 39) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0026667 k( 40) = ( 0.3362069 0.0000000 0.0000000), wk = 0.0026667 k( 41) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0026667 k( 42) = ( 0.3534483 -0.0000000 0.0000000), wk = 0.0026667 k( 43) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0026667 k( 44) = ( 0.3706897 -0.0000000 -0.0000000), wk = 0.0026667 k( 45) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0026667 k( 46) = ( 0.3879310 -0.0000000 0.0000000), wk = 0.0026667 k( 47) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0026667 k( 48) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0026667 k( 49) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0026667 k( 50) = ( 0.4224138 0.0000000 -0.0000000), wk = 0.0026667 k( 51) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0026667 k( 52) = ( 0.4396552 0.0000000 0.0000000), wk = 0.0026667 k( 53) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0026667 k( 54) = ( 0.4568966 0.0000000 0.0000000), wk = 0.0026667 k( 55) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0026667 k( 56) = ( 0.4741379 -0.0000000 -0.0000000), wk = 0.0026667 k( 57) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0026667 k( 58) = ( 0.4913793 -0.0000000 -0.0000000), wk = 0.0026667 k( 59) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026667 k( 60) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026667 k( 61) = ( 0.5000000 0.0049829 -0.0049830), wk = 0.0026667 k( 62) = ( 0.5000000 0.0099659 -0.0099659), wk = 0.0026667 k( 63) = ( 0.5000000 0.0149488 -0.0149488), wk = 0.0026667 k( 64) = ( 0.5000000 0.0199318 -0.0199318), wk = 0.0026667 k( 65) = ( 0.5000000 0.0249147 -0.0249148), wk = 0.0026667 k( 66) = ( 0.5000000 0.0298977 -0.0298977), wk = 0.0026667 k( 67) = ( 0.5000000 0.0348806 -0.0348807), wk = 0.0026667 k( 68) = ( 0.5000000 0.0398636 -0.0398636), wk = 0.0026667 k( 69) = ( 0.5000000 0.0448465 -0.0448465), wk = 0.0026667 k( 70) = ( 0.5000000 0.0498295 -0.0498295), wk = 0.0026667 k( 71) = ( 0.5000000 0.0548124 -0.0548124), wk = 0.0026667 k( 72) = ( 0.5000000 0.0597954 -0.0597954), wk = 0.0026667 k( 73) = ( 0.5000000 0.0647783 -0.0647783), wk = 0.0026667 k( 74) = ( 0.5000000 0.0697613 -0.0697613), wk = 0.0026667 k( 75) = ( 0.5000000 0.0747442 -0.0747442), wk = 0.0026667 k( 76) = ( 0.5000000 0.0797272 -0.0797272), wk = 0.0026667 k( 77) = ( 0.5000000 0.0847101 -0.0847101), wk = 0.0026667 k( 78) = ( 0.5000000 0.0896931 -0.0896931), wk = 0.0026667 k( 79) = ( 0.5000000 0.0946760 -0.0946760), wk = 0.0026667 k( 80) = ( 0.5000000 0.0996590 -0.0996590), wk = 0.0026667 k( 81) = ( 0.5000000 0.1046419 -0.1046419), wk = 0.0026667 k( 82) = ( 0.5000000 0.1096249 -0.1096249), wk = 0.0026667 k( 83) = ( 0.5000000 0.1146078 -0.1146078), wk = 0.0026667 k( 84) = ( 0.5000000 0.1195908 -0.1195908), wk = 0.0026667 k( 85) = ( 0.5000000 0.1245737 -0.1245737), wk = 0.0026667 k( 86) = ( 0.5000000 0.1295567 -0.1295567), wk = 0.0026667 k( 87) = ( 0.5000000 0.1345396 -0.1345396), wk = 0.0026667 k( 88) = ( 0.5000000 0.1395226 -0.1395226), wk = 0.0026667 k( 89) = ( 0.5000000 0.1445055 -0.1445055), wk = 0.0026667 k( 90) = ( 0.5000000 0.1494885 -0.1494885), wk = 0.0026667 k( 91) = ( 0.5000000 0.1544714 -0.1544714), wk = 0.0026667 k( 92) = ( 0.5000000 0.1594544 -0.1594544), wk = 0.0026667 k( 93) = ( 0.5000000 0.1644373 -0.1644373), wk = 0.0026667 k( 94) = ( 0.5000000 0.1694203 -0.1694203), wk = 0.0026667 k( 95) = ( 0.5000000 0.1744032 -0.1744032), wk = 0.0026667 k( 96) = ( 0.5000000 0.1793862 -0.1793862), wk = 0.0026667 k( 97) = ( 0.5000000 0.1843691 -0.1843691), wk = 0.0026667 k( 98) = ( 0.8156309 0.5000000 0.1843691), wk = 0.0026667 k( 99) = ( 0.8105400 0.5000000 0.1894599), wk = 0.0026667 k( 100) = ( 0.8054492 0.5000000 0.1945508), wk = 0.0026667 k( 101) = ( 0.8003584 0.5000000 0.1996416), wk = 0.0026667 k( 102) = ( 0.7952676 0.5000000 0.2047324), wk = 0.0026667 k( 103) = ( 0.7901768 0.5000000 0.2098232), wk = 0.0026667 k( 104) = ( 0.7850860 0.5000000 0.2149140), wk = 0.0026667 k( 105) = ( 0.7799951 0.5000000 0.2200049), wk = 0.0026667 k( 106) = ( 0.7749043 0.5000000 0.2250957), wk = 0.0026667 k( 107) = ( 0.7698135 0.5000000 0.2301865), wk = 0.0026667 k( 108) = ( 0.7647227 0.5000000 0.2352773), wk = 0.0026667 k( 109) = ( 0.7596318 0.5000000 0.2403682), wk = 0.0026667 k( 110) = ( 0.7545410 0.5000000 0.2454590), wk = 0.0026667 k( 111) = ( 0.7494502 0.5000000 0.2505498), wk = 0.0026667 k( 112) = ( 0.7443594 0.5000000 0.2556406), wk = 0.0026667 k( 113) = ( 0.7392686 0.5000000 0.2607314), wk = 0.0026667 k( 114) = ( 0.7341777 0.5000000 0.2658223), wk = 0.0026667 k( 115) = ( 0.7290869 0.5000000 0.2709131), wk = 0.0026667 k( 116) = ( 0.7239961 0.5000000 0.2760039), wk = 0.0026667 k( 117) = ( 0.7189053 0.5000000 0.2810947), wk = 0.0026667 k( 118) = ( 0.7138145 0.5000000 0.2861855), wk = 0.0026667 k( 119) = ( 0.7087236 0.5000000 0.2912764), wk = 0.0026667 k( 120) = ( 0.7036328 0.5000000 0.2963672), wk = 0.0026667 k( 121) = ( 0.6985420 0.5000000 0.3014580), wk = 0.0026667 k( 122) = ( 0.6934512 0.5000000 0.3065488), wk = 0.0026667 k( 123) = ( 0.6883604 0.5000000 0.3116396), wk = 0.0026667 k( 124) = ( 0.6832695 0.5000000 0.3167305), wk = 0.0026667 k( 125) = ( 0.6781787 0.5000000 0.3218213), wk = 0.0026667 k( 126) = ( 0.6730879 0.5000000 0.3269121), wk = 0.0026667 k( 127) = ( 0.6679971 0.5000000 0.3320029), wk = 0.0026667 k( 128) = ( 0.6629063 0.5000000 0.3370938), wk = 0.0026667 k( 129) = ( 0.6578154 0.5000000 0.3421846), wk = 0.0026667 k( 130) = ( 0.6527246 0.5000000 0.3472754), wk = 0.0026667 k( 131) = ( 0.6476338 0.5000000 0.3523662), wk = 0.0026667 k( 132) = ( 0.6425430 0.5000000 0.3574570), wk = 0.0026667 k( 133) = ( 0.6374521 0.5000000 0.3625478), wk = 0.0026667 k( 134) = ( 0.6323613 0.5000000 0.3676387), wk = 0.0026667 k( 135) = ( 0.6272705 0.5000000 0.3727295), wk = 0.0026667 k( 136) = ( 0.6221797 0.5000000 0.3778203), wk = 0.0026667 k( 137) = ( 0.6170889 0.5000000 0.3829111), wk = 0.0026667 k( 138) = ( 0.6119980 0.5000000 0.3880020), wk = 0.0026667 k( 139) = ( 0.6069072 0.5000000 0.3930928), wk = 0.0026667 k( 140) = ( 0.6018164 0.5000000 0.3981836), wk = 0.0026667 k( 141) = ( 0.5967256 0.5000000 0.4032744), wk = 0.0026667 k( 142) = ( 0.5916348 0.5000000 0.4083652), wk = 0.0026667 k( 143) = ( 0.5865440 0.5000000 0.4134561), wk = 0.0026667 k( 144) = ( 0.5814531 0.5000000 0.4185469), wk = 0.0026667 k( 145) = ( 0.5763623 0.5000000 0.4236377), wk = 0.0026667 k( 146) = ( 0.5712715 0.5000000 0.4287285), wk = 0.0026667 k( 147) = ( 0.5661807 0.5000000 0.4338193), wk = 0.0026667 k( 148) = ( 0.5610899 0.5000000 0.4389102), wk = 0.0026667 k( 149) = ( 0.5559990 0.5000000 0.4440010), wk = 0.0026667 k( 150) = ( 0.5509082 0.5000000 0.4490918), wk = 0.0026667 k( 151) = ( 0.5458174 0.5000000 0.4541826), wk = 0.0026667 k( 152) = ( 0.5407266 0.5000000 0.4592734), wk = 0.0026667 k( 153) = ( 0.5356357 0.5000000 0.4643643), wk = 0.0026667 k( 154) = ( 0.5305449 0.5000000 0.4694551), wk = 0.0026667 k( 155) = ( 0.5254541 0.5000000 0.4745459), wk = 0.0026667 k( 156) = ( 0.5203633 0.5000000 0.4796367), wk = 0.0026667 k( 157) = ( 0.5152725 0.5000000 0.4847275), wk = 0.0026667 k( 158) = ( 0.5101816 0.5000000 0.4898184), wk = 0.0026667 k( 159) = ( 0.5050908 0.5000000 0.4949092), wk = 0.0026667 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 161) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 162) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0026667 k( 163) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0026667 k( 164) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0026667 k( 165) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026667 k( 166) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0026667 k( 167) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0026667 k( 168) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0026667 k( 169) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026667 k( 170) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0026667 k( 171) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0026667 k( 172) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0026667 k( 173) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026667 k( 174) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0026667 k( 175) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 176) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0026667 k( 177) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026667 k( 178) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0026667 k( 179) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0026667 k( 180) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0026667 k( 181) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026667 k( 182) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0026667 k( 183) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0026667 k( 184) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0026667 k( 185) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026667 k( 186) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0026667 k( 187) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0026667 k( 188) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0026667 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 191) = ( 0.0051072 -0.0000000 -0.0051072), wk = 0.0026667 k( 192) = ( 0.0102145 -0.0000000 -0.0102145), wk = 0.0026667 k( 193) = ( 0.0153217 -0.0000000 -0.0153217), wk = 0.0026667 k( 194) = ( 0.0204289 -0.0000000 -0.0204289), wk = 0.0026667 k( 195) = ( 0.0255362 -0.0000000 -0.0255362), wk = 0.0026667 k( 196) = ( 0.0306434 0.0000000 -0.0306434), wk = 0.0026667 k( 197) = ( 0.0357506 0.0000000 -0.0357506), wk = 0.0026667 k( 198) = ( 0.0408579 -0.0000000 -0.0408579), wk = 0.0026667 k( 199) = ( 0.0459651 0.0000000 -0.0459651), wk = 0.0026667 k( 200) = ( 0.0510723 -0.0000000 -0.0510723), wk = 0.0026667 k( 201) = ( 0.0561796 -0.0000000 -0.0561796), wk = 0.0026667 k( 202) = ( 0.0612868 0.0000000 -0.0612868), wk = 0.0026667 k( 203) = ( 0.0663940 -0.0000000 -0.0663940), wk = 0.0026667 k( 204) = ( 0.0715013 -0.0000000 -0.0715013), wk = 0.0026667 k( 205) = ( 0.0766085 0.0000000 -0.0766085), wk = 0.0026667 k( 206) = ( 0.0817157 -0.0000000 -0.0817157), wk = 0.0026667 k( 207) = ( 0.0868229 -0.0000000 -0.0868229), wk = 0.0026667 k( 208) = ( 0.0919302 0.0000000 -0.0919302), wk = 0.0026667 k( 209) = ( 0.0970374 -0.0000000 -0.0970374), wk = 0.0026667 k( 210) = ( 0.1021447 -0.0000000 -0.1021447), wk = 0.0026667 k( 211) = ( 0.1072519 0.0000000 -0.1072519), wk = 0.0026667 k( 212) = ( 0.1123591 0.0000000 -0.1123591), wk = 0.0026667 k( 213) = ( 0.1174663 -0.0000000 -0.1174663), wk = 0.0026667 k( 214) = ( 0.1225736 0.0000000 -0.1225736), wk = 0.0026667 k( 215) = ( 0.1276808 -0.0000000 -0.1276808), wk = 0.0026667 k( 216) = ( 0.1327880 -0.0000000 -0.1327880), wk = 0.0026667 k( 217) = ( 0.1378953 -0.0000000 -0.1378953), wk = 0.0026667 k( 218) = ( 0.1430025 -0.0000000 -0.1430025), wk = 0.0026667 k( 219) = ( 0.1481097 -0.0000000 -0.1481097), wk = 0.0026667 k( 220) = ( 0.1532170 -0.0000000 -0.1532170), wk = 0.0026667 k( 221) = ( 0.1583242 0.0000000 -0.1583242), wk = 0.0026667 k( 222) = ( 0.1634314 -0.0000000 -0.1634314), wk = 0.0026667 k( 223) = ( 0.1685387 0.0000000 -0.1685387), wk = 0.0026667 k( 224) = ( 0.1736459 -0.0000000 -0.1736459), wk = 0.0026667 k( 225) = ( 0.1787531 0.0000000 -0.1787531), wk = 0.0026667 k( 226) = ( 0.1838604 0.0000000 -0.1838604), wk = 0.0026667 k( 227) = ( 0.1889676 0.0000000 -0.1889676), wk = 0.0026667 k( 228) = ( 0.1940748 -0.0000000 -0.1940748), wk = 0.0026667 k( 229) = ( 0.1991821 0.0000000 -0.1991821), wk = 0.0026667 k( 230) = ( 0.2042893 -0.0000000 -0.2042893), wk = 0.0026667 k( 231) = ( 0.2093965 0.0000000 -0.2093965), wk = 0.0026667 k( 232) = ( 0.2145038 0.0000000 -0.2145038), wk = 0.0026667 k( 233) = ( 0.2196110 0.0000000 -0.2196110), wk = 0.0026667 k( 234) = ( 0.2247182 0.0000000 -0.2247182), wk = 0.0026667 k( 235) = ( 0.2298254 -0.0000000 -0.2298254), wk = 0.0026667 k( 236) = ( 0.2349327 -0.0000000 -0.2349327), wk = 0.0026667 k( 237) = ( 0.2400399 0.0000000 -0.2400399), wk = 0.0026667 k( 238) = ( 0.2451472 -0.0000000 -0.2451472), wk = 0.0026667 k( 239) = ( 0.2502544 0.0000000 -0.2502544), wk = 0.0026667 k( 240) = ( 0.2553616 -0.0000000 -0.2553616), wk = 0.0026667 k( 241) = ( 0.2604688 0.0000000 -0.2604689), wk = 0.0026667 k( 242) = ( 0.2655761 -0.0000000 -0.2655761), wk = 0.0026667 k( 243) = ( 0.2706833 0.0000000 -0.2706833), wk = 0.0026667 k( 244) = ( 0.2757906 -0.0000000 -0.2757906), wk = 0.0026667 k( 245) = ( 0.2808978 0.0000000 -0.2808978), wk = 0.0026667 k( 246) = ( 0.2860050 -0.0000000 -0.2860050), wk = 0.0026667 k( 247) = ( 0.2911122 0.0000000 -0.2911122), wk = 0.0026667 k( 248) = ( 0.2962195 0.0000000 -0.2962195), wk = 0.0026667 k( 249) = ( 0.3013267 -0.0000000 -0.3013267), wk = 0.0026667 k( 250) = ( 0.3064339 -0.0000000 -0.3064339), wk = 0.0026667 k( 251) = ( 0.3115412 -0.0000000 -0.3115412), wk = 0.0026667 k( 252) = ( 0.3166484 0.0000000 -0.3166484), wk = 0.0026667 k( 253) = ( 0.3217556 0.0000000 -0.3217556), wk = 0.0026667 k( 254) = ( 0.3268629 -0.0000000 -0.3268629), wk = 0.0026667 k( 255) = ( 0.3319701 -0.0000000 -0.3319701), wk = 0.0026667 k( 256) = ( 0.3370773 -0.0000000 -0.3370773), wk = 0.0026667 k( 257) = ( 0.3421846 -0.0000000 -0.3421846), wk = 0.0026667 k( 258) = ( 0.6578154 0.3421846 0.0000000), wk = 0.0026667 k( 259) = ( 0.6527246 0.3472754 -0.0000000), wk = 0.0026667 k( 260) = ( 0.6476338 0.3523662 -0.0000000), wk = 0.0026667 k( 261) = ( 0.6425430 0.3574570 -0.0000000), wk = 0.0026667 k( 262) = ( 0.6374521 0.3625479 0.0000000), wk = 0.0026667 k( 263) = ( 0.6323613 0.3676387 -0.0000000), wk = 0.0026667 k( 264) = ( 0.6272705 0.3727295 0.0000000), wk = 0.0026667 k( 265) = ( 0.6221797 0.3778203 0.0000000), wk = 0.0026667 k( 266) = ( 0.6170889 0.3829111 0.0000000), wk = 0.0026667 k( 267) = ( 0.6119980 0.3880019 0.0000000), wk = 0.0026667 k( 268) = ( 0.6069072 0.3930928 0.0000000), wk = 0.0026667 k( 269) = ( 0.6018164 0.3981836 -0.0000000), wk = 0.0026667 k( 270) = ( 0.5967256 0.4032744 -0.0000000), wk = 0.0026667 k( 271) = ( 0.5916348 0.4083652 0.0000000), wk = 0.0026667 k( 272) = ( 0.5865440 0.4134560 -0.0000000), wk = 0.0026667 k( 273) = ( 0.5814531 0.4185469 0.0000000), wk = 0.0026667 k( 274) = ( 0.5763623 0.4236377 0.0000000), wk = 0.0026667 k( 275) = ( 0.5712715 0.4287285 -0.0000000), wk = 0.0026667 k( 276) = ( 0.5661807 0.4338193 -0.0000000), wk = 0.0026667 k( 277) = ( 0.5610899 0.4389101 0.0000000), wk = 0.0026667 k( 278) = ( 0.5559990 0.4440010 -0.0000000), wk = 0.0026667 k( 279) = ( 0.5509082 0.4490918 -0.0000000), wk = 0.0026667 k( 280) = ( 0.5458174 0.4541826 0.0000000), wk = 0.0026667 k( 281) = ( 0.5407266 0.4592734 0.0000000), wk = 0.0026667 k( 282) = ( 0.5356357 0.4643643 -0.0000000), wk = 0.0026667 k( 283) = ( 0.5305449 0.4694551 0.0000000), wk = 0.0026667 k( 284) = ( 0.5254541 0.4745459 0.0000000), wk = 0.0026667 k( 285) = ( 0.5203633 0.4796367 -0.0000000), wk = 0.0026667 k( 286) = ( 0.5152725 0.4847275 -0.0000000), wk = 0.0026667 k( 287) = ( 0.5101816 0.4898184 -0.0000000), wk = 0.0026667 k( 288) = ( 0.5050908 0.4949092 -0.0000000), wk = 0.0026667 k( 289) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 290) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 291) = ( 0.5157815 0.5157815 0.0184369), wk = 0.0026667 k( 292) = ( 0.5315631 0.5315631 0.0368738), wk = 0.0026667 k( 293) = ( 0.5473446 0.5473446 0.0553107), wk = 0.0026667 k( 294) = ( 0.5631262 0.5631262 0.0737477), wk = 0.0026667 k( 295) = ( 0.5789077 0.5789077 0.0921846), wk = 0.0026667 k( 296) = ( 0.5946893 0.5946893 0.1106215), wk = 0.0026667 k( 297) = ( 0.6104708 0.6104708 0.1290584), wk = 0.0026667 k( 298) = ( 0.6262524 0.6262523 0.1474953), wk = 0.0026667 k( 299) = ( 0.6420339 0.6420339 0.1659322), wk = 0.0026667 k( 300) = ( 0.6578154 0.6578154 0.1843691), wk = 0.0026667 k( 301) = ( 0.6578154 0.6578154 0.1843691), wk = 0.0026667 k( 302) = ( 0.6548929 0.6548929 0.1902141), wk = 0.0026667 k( 303) = ( 0.6519704 0.6519704 0.1960592), wk = 0.0026667 k( 304) = ( 0.6490479 0.6490479 0.2019042), wk = 0.0026667 k( 305) = ( 0.6461254 0.6461254 0.2077492), wk = 0.0026667 k( 306) = ( 0.6432029 0.6432029 0.2135942), wk = 0.0026667 k( 307) = ( 0.6402804 0.6402804 0.2194392), wk = 0.0026667 k( 308) = ( 0.6373579 0.6373579 0.2252842), wk = 0.0026667 k( 309) = ( 0.6344354 0.6344354 0.2311293), wk = 0.0026667 k( 310) = ( 0.6315129 0.6315129 0.2369743), wk = 0.0026667 k( 311) = ( 0.6285903 0.6285903 0.2428193), wk = 0.0026667 k( 312) = ( 0.6256679 0.6256679 0.2486643), wk = 0.0026667 k( 313) = ( 0.6227453 0.6227453 0.2545093), wk = 0.0026667 k( 314) = ( 0.6198228 0.6198228 0.2603543), wk = 0.0026667 k( 315) = ( 0.6169003 0.6169003 0.2661994), wk = 0.0026667 k( 316) = ( 0.6139778 0.6139778 0.2720444), wk = 0.0026667 k( 317) = ( 0.6110553 0.6110553 0.2778894), wk = 0.0026667 k( 318) = ( 0.6081328 0.6081328 0.2837344), wk = 0.0026667 k( 319) = ( 0.6052103 0.6052103 0.2895794), wk = 0.0026667 k( 320) = ( 0.6022878 0.6022878 0.2954244), wk = 0.0026667 k( 321) = ( 0.5993653 0.5993653 0.3012695), wk = 0.0026667 k( 322) = ( 0.5964428 0.5964428 0.3071145), wk = 0.0026667 k( 323) = ( 0.5935203 0.5935203 0.3129595), wk = 0.0026667 k( 324) = ( 0.5905978 0.5905978 0.3188045), wk = 0.0026667 k( 325) = ( 0.5876752 0.5876752 0.3246495), wk = 0.0026667 k( 326) = ( 0.5847527 0.5847527 0.3304945), wk = 0.0026667 k( 327) = ( 0.5818302 0.5818302 0.3363396), wk = 0.0026667 k( 328) = ( 0.5789077 0.5789077 0.3421846), wk = 0.0026667 k( 329) = ( 0.5759852 0.5759852 0.3480296), wk = 0.0026667 k( 330) = ( 0.5730627 0.5730627 0.3538746), wk = 0.0026667 k( 331) = ( 0.5701402 0.5701402 0.3597196), wk = 0.0026667 k( 332) = ( 0.5672177 0.5672177 0.3655646), wk = 0.0026667 k( 333) = ( 0.5642952 0.5642952 0.3714097), wk = 0.0026667 k( 334) = ( 0.5613727 0.5613727 0.3772547), wk = 0.0026667 k( 335) = ( 0.5584502 0.5584502 0.3830997), wk = 0.0026667 k( 336) = ( 0.5555277 0.5555277 0.3889447), wk = 0.0026667 k( 337) = ( 0.5526051 0.5526051 0.3947897), wk = 0.0026667 k( 338) = ( 0.5496826 0.5496826 0.4006347), wk = 0.0026667 k( 339) = ( 0.5467601 0.5467601 0.4064797), wk = 0.0026667 k( 340) = ( 0.5438376 0.5438376 0.4123248), wk = 0.0026667 k( 341) = ( 0.5409151 0.5409151 0.4181698), wk = 0.0026667 k( 342) = ( 0.5379926 0.5379926 0.4240148), wk = 0.0026667 k( 343) = ( 0.5350701 0.5350701 0.4298598), wk = 0.0026667 k( 344) = ( 0.5321476 0.5321476 0.4357048), wk = 0.0026667 k( 345) = ( 0.5292251 0.5292251 0.4415498), wk = 0.0026667 k( 346) = ( 0.5263026 0.5263026 0.4473949), wk = 0.0026667 k( 347) = ( 0.5233801 0.5233801 0.4532399), wk = 0.0026667 k( 348) = ( 0.5204576 0.5204576 0.4590849), wk = 0.0026667 k( 349) = ( 0.5175350 0.5175350 0.4649299), wk = 0.0026667 k( 350) = ( 0.5146125 0.5146125 0.4707749), wk = 0.0026667 k( 351) = ( 0.5116900 0.5116900 0.4766199), wk = 0.0026667 k( 352) = ( 0.5087675 0.5087675 0.4824650), wk = 0.0026667 k( 353) = ( 0.5058450 0.5058450 0.4883100), wk = 0.0026667 k( 354) = ( 0.5029225 0.5029225 0.4941550), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 356) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026667 k( 357) = ( 0.5166122 0.0180097 0.0180097), wk = 0.0026667 k( 358) = ( 0.5332243 0.0360194 0.0360194), wk = 0.0026667 k( 359) = ( 0.5498365 0.0540291 0.0540291), wk = 0.0026667 k( 360) = ( 0.5664486 0.0720389 0.0720389), wk = 0.0026667 k( 361) = ( 0.5830608 0.0900486 0.0900486), wk = 0.0026667 k( 362) = ( 0.5996729 0.1080583 0.1080583), wk = 0.0026667 k( 363) = ( 0.6162851 0.1260680 0.1260680), wk = 0.0026667 k( 364) = ( 0.6328972 0.1440777 0.1440777), wk = 0.0026667 k( 365) = ( 0.6495094 0.1620874 0.1620874), wk = 0.0026667 k( 366) = ( 0.6661215 0.1800971 0.1800971), wk = 0.0026667 k( 367) = ( 0.6827337 0.1981068 0.1981069), wk = 0.0026667 k( 368) = ( 0.6993458 0.2161166 0.2161166), wk = 0.0026667 k( 369) = ( 0.7159580 0.2341263 0.2341263), wk = 0.0026667 k( 370) = ( 0.7325701 0.2521360 0.2521360), wk = 0.0026667 k( 371) = ( 0.7491823 0.2701457 0.2701457), wk = 0.0026667 k( 372) = ( 0.7657944 0.2881554 0.2881554), wk = 0.0026667 k( 373) = ( 0.7824066 0.3061651 0.3061651), wk = 0.0026667 k( 374) = ( 0.7990187 0.3241748 0.3241748), wk = 0.0026667 k( 375) = ( 0.8156309 0.3421846 0.3421846), wk = 0.0026667 Dense grid: 46923 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 16921 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 124, 42) NL pseudopotentials 0.09 Mb ( 62, 96) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1304) G-vector shells 0.01 Mb ( 1124) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 124, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./ScCuO2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.1 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 10.9 secs Computing kpt #: 20 total cpu time spent up to now is 11.3 secs Computing kpt #: 21 total cpu time spent up to now is 11.7 secs Computing kpt #: 22 total cpu time spent up to now is 12.1 secs Computing kpt #: 23 total cpu time spent up to now is 12.5 secs Computing kpt #: 24 total cpu time spent up to now is 12.9 secs Computing kpt #: 25 total cpu time spent up to now is 13.3 secs Computing kpt #: 26 total cpu time spent up to now is 13.7 secs Computing kpt #: 27 total cpu time spent up to now is 14.1 secs Computing kpt #: 28 total cpu time spent up to now is 14.6 secs Computing kpt #: 29 total cpu time spent up to now is 15.0 secs Computing kpt #: 30 total cpu time spent up to now is 15.4 secs Computing kpt #: 31 total cpu time spent up to now is 15.8 secs Computing kpt #: 32 total cpu time spent up to now is 16.2 secs Computing kpt #: 33 total cpu time spent up to now is 16.6 secs Computing kpt #: 34 total cpu time spent up to now is 17.0 secs Computing kpt #: 35 total cpu time spent up to now is 17.4 secs Computing kpt #: 36 total cpu time spent up to now is 18.1 secs Computing kpt #: 37 total cpu time spent up to now is 18.5 secs Computing kpt #: 38 total cpu time spent up to now is 18.9 secs Computing kpt #: 39 total cpu time spent up to now is 19.4 secs Computing kpt #: 40 total cpu time spent up to now is 19.8 secs Computing kpt #: 41 total cpu time spent up to now is 20.2 secs Computing kpt #: 42 total cpu time spent up to now is 20.6 secs Computing kpt #: 43 total cpu time spent up to now is 21.0 secs Computing kpt #: 44 total cpu time spent up to now is 21.4 secs Computing kpt #: 45 total cpu time spent up to now is 21.8 secs Computing kpt #: 46 total cpu time spent up to now is 22.2 secs Computing kpt #: 47 total cpu time spent up to now is 22.7 secs Computing kpt #: 48 total cpu time spent up to now is 23.1 secs Computing kpt #: 49 total cpu time spent up to now is 23.5 secs Computing kpt #: 50 total cpu time spent up to now is 23.9 secs Computing kpt #: 51 total cpu time spent up to now is 24.3 secs Computing kpt #: 52 total cpu time spent up to now is 24.8 secs Computing kpt #: 53 total cpu time spent up to now is 25.2 secs Computing kpt #: 54 total cpu time spent up to now is 25.6 secs Computing kpt #: 55 total cpu time spent up to now is 26.0 secs Computing kpt #: 56 total cpu time spent up to now is 26.5 secs Computing kpt #: 57 total cpu time spent up to now is 26.9 secs Computing kpt #: 58 total cpu time spent up to now is 27.3 secs Computing kpt #: 59 total cpu time spent up to now is 27.7 secs Computing kpt #: 60 total cpu time spent up to now is 28.2 secs Computing kpt #: 61 total cpu time spent up to now is 28.6 secs Computing kpt #: 62 total cpu time spent up to now is 29.0 secs Computing kpt #: 63 total cpu time spent up to now is 29.4 secs Computing kpt #: 64 total cpu time spent up to now is 29.9 secs Computing kpt #: 65 total cpu time spent up to now is 30.3 secs Computing kpt #: 66 total cpu time spent up to now is 30.7 secs Computing kpt #: 67 total cpu time spent up to now is 31.1 secs Computing kpt #: 68 total cpu time spent up to now is 31.6 secs Computing kpt #: 69 total cpu time spent up to now is 32.1 secs Computing kpt #: 70 total cpu time spent up to now is 32.7 secs Computing kpt #: 71 total cpu time spent up to now is 33.2 secs Computing kpt #: 72 total cpu time spent up to now is 33.7 secs Computing kpt #: 73 total cpu time spent up to now is 34.1 secs Computing kpt #: 74 total cpu time spent up to now is 34.7 secs Computing kpt #: 75 total cpu time spent up to now is 35.1 secs Computing kpt #: 76 total cpu time spent up to now is 35.7 secs Computing kpt #: 77 total cpu time spent up to now is 36.3 secs Computing kpt #: 78 total cpu time spent up to now is 36.9 secs Computing kpt #: 79 total cpu time spent up to now is 37.5 secs Computing kpt #: 80 total cpu time spent up to now is 38.1 secs Computing kpt #: 81 total cpu time spent up to now is 38.8 secs Computing kpt #: 82 total cpu time spent up to now is 39.4 secs Computing kpt #: 83 total cpu time spent up to now is 40.0 secs Computing kpt #: 84 total cpu time spent up to now is 40.6 secs Computing kpt #: 85 total cpu time spent up to now is 41.4 secs Computing kpt #: 86 total cpu time spent up to now is 42.5 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.8 secs Computing kpt #: 88 total cpu time spent up to now is 44.8 secs Computing kpt #: 89 total cpu time spent up to now is 45.2 secs Computing kpt #: 90 total cpu time spent up to now is 45.7 secs Computing kpt #: 91 total cpu time spent up to now is 46.1 secs Computing kpt #: 92 total cpu time spent up to now is 46.5 secs Computing kpt #: 93 total cpu time spent up to now is 47.0 secs Computing kpt #: 94 total cpu time spent up to now is 47.4 secs Computing kpt #: 95 total cpu time spent up to now is 47.8 secs Computing kpt #: 96 total cpu time spent up to now is 48.4 secs Computing kpt #: 97 total cpu time spent up to now is 48.8 secs Computing kpt #: 98 total cpu time spent up to now is 49.2 secs Computing kpt #: 99 total cpu time spent up to now is 49.7 secs Computing kpt #: 100 total cpu time spent up to now is 50.1 secs Computing kpt #: 101 total cpu time spent up to now is 50.6 secs Computing kpt #: 102 total cpu time spent up to now is 51.2 secs Computing kpt #: 103 total cpu time spent up to now is 51.7 secs Computing kpt #: 104 total cpu time spent up to now is 52.3 secs Computing kpt #: 105 total cpu time spent up to now is 52.8 secs Computing kpt #: 106 total cpu time spent up to now is 53.4 secs Computing kpt #: 107 total cpu time spent up to now is 53.8 secs Computing kpt #: 108 total cpu time spent up to now is 54.3 secs Computing kpt #: 109 total cpu time spent up to now is 54.7 secs Computing kpt #: 110 total cpu time spent up to now is 55.1 secs Computing kpt #: 111 total cpu time spent up to now is 55.5 secs Computing kpt #: 112 total cpu time spent up to now is 56.0 secs Computing kpt #: 113 total cpu time spent up to now is 56.4 secs Computing kpt #: 114 total cpu time spent up to now is 56.8 secs Computing kpt #: 115 total cpu time spent up to now is 57.2 secs Computing kpt #: 116 total cpu time spent up to now is 57.6 secs Computing kpt #: 117 total cpu time spent up to now is 58.0 secs Computing kpt #: 118 total cpu time spent up to now is 58.4 secs Computing kpt #: 119 total cpu time spent up to now is 58.8 secs Computing kpt #: 120 total cpu time spent up to now is 59.2 secs Computing kpt #: 121 total cpu time spent up to now is 59.7 secs Computing kpt #: 122 total cpu time spent up to now is 60.1 secs Computing kpt #: 123 total cpu time spent up to now is 60.5 secs Computing kpt #: 124 total cpu time spent up to now is 60.9 secs Computing kpt #: 125 total cpu time spent up to now is 61.3 secs Computing kpt #: 126 total cpu time spent up to now is 61.7 secs Computing kpt #: 127 total cpu time spent up to now is 62.1 secs Computing kpt #: 128 total cpu time spent up to now is 62.5 secs Computing kpt #: 129 total cpu time spent up to now is 62.9 secs Computing kpt #: 130 total cpu time spent up to now is 63.4 secs Computing kpt #: 131 total cpu time spent up to now is 63.8 secs Computing kpt #: 132 total cpu time spent up to now is 64.2 secs Computing kpt #: 133 total cpu time spent up to now is 64.6 secs Computing kpt #: 134 total cpu time spent up to now is 65.0 secs Computing kpt #: 135 total cpu time spent up to now is 65.4 secs Computing kpt #: 136 total cpu time spent up to now is 65.8 secs Computing kpt #: 137 total cpu time spent up to now is 66.2 secs Computing kpt #: 138 total cpu time spent up to now is 66.6 secs Computing kpt #: 139 total cpu time spent up to now is 67.0 secs Computing kpt #: 140 total cpu time spent up to now is 67.4 secs Computing kpt #: 141 total cpu time spent up to now is 67.7 secs Computing kpt #: 142 total cpu time spent up to now is 68.1 secs Computing kpt #: 143 total cpu time spent up to now is 68.5 secs Computing kpt #: 144 total cpu time spent up to now is 68.9 secs Computing kpt #: 145 total cpu time spent up to now is 69.2 secs Computing kpt #: 146 total cpu time spent up to now is 69.6 secs Computing kpt #: 147 total cpu time spent up to now is 70.0 secs Computing kpt #: 148 total cpu time spent up to now is 70.4 secs Computing kpt #: 149 total cpu time spent up to now is 70.8 secs Computing kpt #: 150 total cpu time spent up to now is 71.2 secs Computing kpt #: 151 total cpu time spent up to now is 71.6 secs Computing kpt #: 152 total cpu time spent up to now is 72.0 secs Computing kpt #: 153 total cpu time spent up to now is 72.4 secs Computing kpt #: 154 total cpu time spent up to now is 72.8 secs Computing kpt #: 155 total cpu time spent up to now is 73.1 secs Computing kpt #: 156 total cpu time spent up to now is 73.5 secs Computing kpt #: 157 total cpu time spent up to now is 73.9 secs Computing kpt #: 158 total cpu time spent up to now is 74.3 secs Computing kpt #: 159 total cpu time spent up to now is 74.7 secs Computing kpt #: 160 total cpu time spent up to now is 75.1 secs Computing kpt #: 161 total cpu time spent up to now is 75.5 secs Computing kpt #: 162 total cpu time spent up to now is 75.8 secs Computing kpt #: 163 total cpu time spent up to now is 76.2 secs Computing kpt #: 164 total cpu time spent up to now is 76.6 secs Computing kpt #: 165 total cpu time spent up to now is 77.0 secs Computing kpt #: 166 total cpu time spent up to now is 77.4 secs Computing kpt #: 167 total cpu time spent up to now is 77.8 secs Computing kpt #: 168 total cpu time spent up to now is 78.1 secs Computing kpt #: 169 total cpu time spent up to now is 78.8 secs Computing kpt #: 170 total cpu time spent up to now is 79.2 secs Computing kpt #: 171 total cpu time spent up to now is 79.6 secs Computing kpt #: 172 total cpu time spent up to now is 80.0 secs Computing kpt #: 173 total cpu time spent up to now is 80.4 secs Computing kpt #: 174 total cpu time spent up to now is 80.7 secs Computing kpt #: 175 total cpu time spent up to now is 81.1 secs Computing kpt #: 176 total cpu time spent up to now is 81.5 secs Computing kpt #: 177 total cpu time spent up to now is 81.9 secs Computing kpt #: 178 total cpu time spent up to now is 82.2 secs Computing kpt #: 179 total cpu time spent up to now is 82.6 secs Computing kpt #: 180 total cpu time spent up to now is 83.0 secs Computing kpt #: 181 total cpu time spent up to now is 83.4 secs Computing kpt #: 182 total cpu time spent up to now is 83.7 secs Computing kpt #: 183 total cpu time spent up to now is 84.1 secs Computing kpt #: 184 total cpu time spent up to now is 84.5 secs Computing kpt #: 185 total cpu time spent up to now is 84.8 secs Computing kpt #: 186 total cpu time spent up to now is 85.2 secs Computing kpt #: 187 total cpu time spent up to now is 85.6 secs Computing kpt #: 188 total cpu time spent up to now is 85.9 secs Computing kpt #: 189 total cpu time spent up to now is 86.3 secs Computing kpt #: 190 total cpu time spent up to now is 86.6 secs Computing kpt #: 191 total cpu time spent up to now is 87.0 secs Computing kpt #: 192 total cpu time spent up to now is 87.3 secs Computing kpt #: 193 total cpu time spent up to now is 87.7 secs Computing kpt #: 194 total cpu time spent up to now is 88.0 secs Computing kpt #: 195 total cpu time spent up to now is 88.4 secs Computing kpt #: 196 total cpu time spent up to now is 88.8 secs Computing kpt #: 197 total cpu time spent up to now is 89.1 secs Computing kpt #: 198 total cpu time spent up to now is 89.5 secs Computing kpt #: 199 total cpu time spent up to now is 89.8 secs Computing kpt #: 200 total cpu time spent up to now is 90.2 secs Computing kpt #: 201 total cpu time spent up to now is 90.6 secs Computing kpt #: 202 total cpu time spent up to now is 90.9 secs Computing kpt #: 203 total cpu time spent up to now is 91.3 secs Computing kpt #: 204 total cpu time spent up to now is 91.7 secs Computing kpt #: 205 total cpu time spent up to now is 92.1 secs Computing kpt #: 206 total cpu time spent up to now is 92.4 secs Computing kpt #: 207 total cpu time spent up to now is 92.8 secs Computing kpt #: 208 total cpu time spent up to now is 93.2 secs Computing kpt #: 209 total cpu time spent up to now is 93.7 secs Computing kpt #: 210 total cpu time spent up to now is 94.1 secs Computing kpt #: 211 total cpu time spent up to now is 94.5 secs Computing kpt #: 212 total cpu time spent up to now is 94.8 secs Computing kpt #: 213 total cpu time spent up to now is 95.2 secs Computing kpt #: 214 total cpu time spent up to now is 95.6 secs Computing kpt #: 215 total cpu time spent up to now is 96.0 secs Computing kpt #: 216 total cpu time spent up to now is 96.4 secs Computing kpt #: 217 total cpu time spent up to now is 96.8 secs Computing kpt #: 218 total cpu time spent up to now is 97.2 secs Computing kpt #: 219 total cpu time spent up to now is 97.6 secs Computing kpt #: 220 total cpu time spent up to now is 98.0 secs Computing kpt #: 221 total cpu time spent up to now is 98.4 secs Computing kpt #: 222 total cpu time spent up to now is 98.8 secs Computing kpt #: 223 total cpu time spent up to now is 99.2 secs Computing kpt #: 224 total cpu time spent up to now is 99.6 secs Computing kpt #: 225 total cpu time spent up to now is 100.0 secs Computing kpt #: 226 total cpu time spent up to now is 100.4 secs Computing kpt #: 227 total cpu time spent up to now is 100.9 secs Computing kpt #: 228 total cpu time spent up to now is 101.3 secs Computing kpt #: 229 total cpu time spent up to now is 101.7 secs Computing kpt #: 230 total cpu time spent up to now is 102.1 secs Computing kpt #: 231 total cpu time spent up to now is 102.5 secs Computing kpt #: 232 total cpu time spent up to now is 102.9 secs Computing kpt #: 233 total cpu time spent up to now is 103.3 secs Computing kpt #: 234 total cpu time spent up to now is 103.7 secs Computing kpt #: 235 total cpu time spent up to now is 104.1 secs Computing kpt #: 236 total cpu time spent up to now is 104.6 secs Computing kpt #: 237 total cpu time spent up to now is 105.0 secs Computing kpt #: 238 total cpu time spent up to now is 105.4 secs Computing kpt #: 239 total cpu time spent up to now is 105.8 secs Computing kpt #: 240 total cpu time spent up to now is 106.2 secs Computing kpt #: 241 total cpu time spent up to now is 106.6 secs Computing kpt #: 242 total cpu time spent up to now is 107.0 secs Computing kpt #: 243 total cpu time spent up to now is 107.5 secs Computing kpt #: 244 total cpu time spent up to now is 107.9 secs Computing kpt #: 245 total cpu time spent up to now is 108.3 secs Computing kpt #: 246 total cpu time spent up to now is 108.8 secs Computing kpt #: 247 total cpu time spent up to now is 109.2 secs Computing kpt #: 248 total cpu time spent up to now is 109.6 secs Computing kpt #: 249 total cpu time spent up to now is 110.0 secs Computing kpt #: 250 total cpu time spent up to now is 110.5 secs Computing kpt #: 251 total cpu time spent up to now is 110.9 secs Computing kpt #: 252 total cpu time spent up to now is 111.3 secs Computing kpt #: 253 total cpu time spent up to now is 111.8 secs Computing kpt #: 254 total cpu time spent up to now is 112.3 secs Computing kpt #: 255 total cpu time spent up to now is 112.8 secs Computing kpt #: 256 total cpu time spent up to now is 113.3 secs Computing kpt #: 257 total cpu time spent up to now is 113.8 secs Computing kpt #: 258 total cpu time spent up to now is 114.2 secs Computing kpt #: 259 total cpu time spent up to now is 114.6 secs Computing kpt #: 260 total cpu time spent up to now is 115.1 secs Computing kpt #: 261 total cpu time spent up to now is 115.5 secs Computing kpt #: 262 total cpu time spent up to now is 115.9 secs Computing kpt #: 263 total cpu time spent up to now is 116.3 secs Computing kpt #: 264 total cpu time spent up to now is 116.9 secs Computing kpt #: 265 total cpu time spent up to now is 117.3 secs Computing kpt #: 266 total cpu time spent up to now is 117.7 secs Computing kpt #: 267 total cpu time spent up to now is 118.2 secs Computing kpt #: 268 total cpu time spent up to now is 118.8 secs Computing kpt #: 269 total cpu time spent up to now is 119.3 secs Computing kpt #: 270 total cpu time spent up to now is 119.8 secs Computing kpt #: 271 total cpu time spent up to now is 120.4 secs Computing kpt #: 272 total cpu time spent up to now is 120.9 secs Computing kpt #: 273 total cpu time spent up to now is 121.4 secs Computing kpt #: 274 total cpu time spent up to now is 122.0 secs Computing kpt #: 275 total cpu time spent up to now is 122.5 secs Computing kpt #: 276 total cpu time spent up to now is 123.0 secs Computing kpt #: 277 total cpu time spent up to now is 123.5 secs Computing kpt #: 278 total cpu time spent up to now is 124.1 secs Computing kpt #: 279 total cpu time spent up to now is 124.6 secs Computing kpt #: 280 total cpu time spent up to now is 125.1 secs Computing kpt #: 281 total cpu time spent up to now is 125.5 secs Computing kpt #: 282 total cpu time spent up to now is 126.0 secs Computing kpt #: 283 total cpu time spent up to now is 126.4 secs Computing kpt #: 284 total cpu time spent up to now is 126.8 secs Computing kpt #: 285 total cpu time spent up to now is 127.2 secs Computing kpt #: 286 total cpu time spent up to now is 127.6 secs Computing kpt #: 287 total cpu time spent up to now is 128.0 secs Computing kpt #: 288 total cpu time spent up to now is 128.4 secs Computing kpt #: 289 total cpu time spent up to now is 128.8 secs Computing kpt #: 290 total cpu time spent up to now is 129.2 secs Computing kpt #: 291 total cpu time spent up to now is 129.6 secs Computing kpt #: 292 total cpu time spent up to now is 130.1 secs Computing kpt #: 293 total cpu time spent up to now is 130.5 secs Computing kpt #: 294 total cpu time spent up to now is 130.9 secs Computing kpt #: 295 total cpu time spent up to now is 131.3 secs Computing kpt #: 296 total cpu time spent up to now is 131.7 secs Computing kpt #: 297 total cpu time spent up to now is 132.1 secs Computing kpt #: 298 total cpu time spent up to now is 132.5 secs Computing kpt #: 299 total cpu time spent up to now is 132.9 secs Computing kpt #: 300 total cpu time spent up to now is 133.3 secs Computing kpt #: 301 total cpu time spent up to now is 133.8 secs Computing kpt #: 302 total cpu time spent up to now is 134.2 secs Computing kpt #: 303 total cpu time spent up to now is 134.6 secs Computing kpt #: 304 total cpu time spent up to now is 135.0 secs Computing kpt #: 305 total cpu time spent up to now is 135.4 secs Computing kpt #: 306 total cpu time spent up to now is 135.9 secs Computing kpt #: 307 total cpu time spent up to now is 136.3 secs Computing kpt #: 308 total cpu time spent up to now is 136.7 secs Computing kpt #: 309 total cpu time spent up to now is 137.1 secs Computing kpt #: 310 total cpu time spent up to now is 137.5 secs Computing kpt #: 311 total cpu time spent up to now is 137.9 secs Computing kpt #: 312 total cpu time spent up to now is 138.3 secs Computing kpt #: 313 total cpu time spent up to now is 138.8 secs Computing kpt #: 314 total cpu time spent up to now is 139.2 secs Computing kpt #: 315 total cpu time spent up to now is 139.6 secs Computing kpt #: 316 total cpu time spent up to now is 140.0 secs Computing kpt #: 317 total cpu time spent up to now is 140.4 secs Computing kpt #: 318 total cpu time spent up to now is 140.8 secs Computing kpt #: 319 total cpu time spent up to now is 141.2 secs Computing kpt #: 320 total cpu time spent up to now is 141.6 secs Computing kpt #: 321 total cpu time spent up to now is 142.0 secs Computing kpt #: 322 total cpu time spent up to now is 142.5 secs Computing kpt #: 323 total cpu time spent up to now is 142.9 secs Computing kpt #: 324 total cpu time spent up to now is 143.3 secs Computing kpt #: 325 total cpu time spent up to now is 143.7 secs Computing kpt #: 326 total cpu time spent up to now is 144.1 secs Computing kpt #: 327 total cpu time spent up to now is 144.5 secs Computing kpt #: 328 total cpu time spent up to now is 144.9 secs Computing kpt #: 329 total cpu time spent up to now is 145.3 secs Computing kpt #: 330 total cpu time spent up to now is 145.7 secs Computing kpt #: 331 total cpu time spent up to now is 146.1 secs Computing kpt #: 332 total cpu time spent up to now is 146.5 secs Computing kpt #: 333 total cpu time spent up to now is 146.9 secs Computing kpt #: 334 total cpu time spent up to now is 147.2 secs Computing kpt #: 335 total cpu time spent up to now is 147.6 secs Computing kpt #: 336 total cpu time spent up to now is 148.0 secs Computing kpt #: 337 total cpu time spent up to now is 148.4 secs Computing kpt #: 338 total cpu time spent up to now is 148.8 secs Computing kpt #: 339 total cpu time spent up to now is 149.2 secs Computing kpt #: 340 total cpu time spent up to now is 149.6 secs Computing kpt #: 341 total cpu time spent up to now is 150.0 secs Computing kpt #: 342 total cpu time spent up to now is 150.4 secs Computing kpt #: 343 total cpu time spent up to now is 150.8 secs Computing kpt #: 344 total cpu time spent up to now is 151.1 secs Computing kpt #: 345 total cpu time spent up to now is 151.5 secs Computing kpt #: 346 total cpu time spent up to now is 151.9 secs Computing kpt #: 347 total cpu time spent up to now is 152.3 secs Computing kpt #: 348 total cpu time spent up to now is 152.7 secs Computing kpt #: 349 total cpu time spent up to now is 153.1 secs Computing kpt #: 350 total cpu time spent up to now is 153.5 secs Computing kpt #: 351 total cpu time spent up to now is 153.9 secs Computing kpt #: 352 total cpu time spent up to now is 154.4 secs Computing kpt #: 353 total cpu time spent up to now is 154.7 secs Computing kpt #: 354 total cpu time spent up to now is 155.1 secs Computing kpt #: 355 total cpu time spent up to now is 155.5 secs Computing kpt #: 356 total cpu time spent up to now is 155.9 secs Computing kpt #: 357 total cpu time spent up to now is 156.4 secs Computing kpt #: 358 total cpu time spent up to now is 156.8 secs Computing kpt #: 359 total cpu time spent up to now is 157.2 secs Computing kpt #: 360 total cpu time spent up to now is 157.6 secs Computing kpt #: 361 total cpu time spent up to now is 158.1 secs Computing kpt #: 362 total cpu time spent up to now is 158.5 secs Computing kpt #: 363 total cpu time spent up to now is 158.9 secs Computing kpt #: 364 total cpu time spent up to now is 159.3 secs Computing kpt #: 365 total cpu time spent up to now is 159.7 secs Computing kpt #: 366 total cpu time spent up to now is 160.2 secs Computing kpt #: 367 total cpu time spent up to now is 160.6 secs Computing kpt #: 368 total cpu time spent up to now is 161.0 secs Computing kpt #: 369 total cpu time spent up to now is 161.4 secs Computing kpt #: 370 total cpu time spent up to now is 161.8 secs Computing kpt #: 371 total cpu time spent up to now is 162.3 secs Computing kpt #: 372 total cpu time spent up to now is 162.7 secs Computing kpt #: 373 total cpu time spent up to now is 163.1 secs Computing kpt #: 374 total cpu time spent up to now is 163.5 secs Computing kpt #: 375 total cpu time spent up to now is 163.9 secs ethr = 2.94E-08, avg # of iterations = 16.1 total cpu time spent up to now is 163.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2095 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7747 -18.7747 -18.5963 -18.5963 -10.1552 -10.1552 -8.9396 -8.9396 1.8799 1.8799 4.1395 4.1395 4.1622 4.1622 5.3471 5.3471 5.7370 5.7370 6.3477 6.3477 6.3799 6.3799 7.1560 7.1560 7.3959 7.3959 7.6255 7.6255 7.7476 7.7476 11.1807 11.1807 11.8566 11.8566 11.8577 11.8577 12.7383 12.7383 k = 0.0086-0.0143-0.0087 ( 2095 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7749 -18.7749 -18.5966 -18.5966 -10.1545 -10.1545 -8.9399 -8.9399 1.8808 1.8808 4.1388 4.1388 4.1615 4.1615 5.3487 5.3487 5.7358 5.7358 6.3471 6.3471 6.3793 6.3793 7.1562 7.1562 7.3961 7.3961 7.6257 7.6257 7.7478 7.7478 11.1819 11.1819 11.8566 11.8566 11.8584 11.8584 12.7383 12.7383 k = 0.0172-0.0285-0.0173 ( 2090 PWs) bands (ev): -40.3425 -40.3425 -19.2785 -19.2785 -18.7753 -18.7753 -18.5974 -18.5974 -10.1524 -10.1524 -8.9408 -8.9408 1.8834 1.8834 4.1361 4.1361 4.1603 4.1603 5.3534 5.3534 5.7321 5.7321 6.3453 6.3453 6.3773 6.3773 7.1566 7.1566 7.3964 7.3964 7.6266 7.6266 7.7485 7.7485 11.1853 11.1853 11.8559 11.8560 11.8615 11.8615 12.7385 12.7385 k = 0.0259-0.0428-0.0260 ( 2085 PWs) bands (ev): -40.3423 -40.3423 -19.2785 -19.2785 -18.7760 -18.7760 -18.5988 -18.5988 -10.1489 -10.1489 -8.9424 -8.9424 1.8877 1.8877 4.1303 4.1303 4.1597 4.1597 5.3610 5.3610 5.7258 5.7258 6.3420 6.3420 6.3745 6.3745 7.1572 7.1572 7.3970 7.3970 7.6279 7.6279 7.7497 7.7497 11.1910 11.1910 11.8546 11.8546 11.8668 11.8668 12.7387 12.7387 k = 0.0345-0.0571-0.0347 ( 2085 PWs) bands (ev): -40.3420 -40.3420 -19.2786 -19.2786 -18.7770 -18.7770 -18.6007 -18.6007 -10.1439 -10.1439 -8.9446 -8.9446 1.8937 1.8937 4.1207 4.1207 4.1607 4.1607 5.3712 5.3712 5.7168 5.7168 6.3370 6.3370 6.3711 6.3711 7.1581 7.1581 7.3978 7.3978 7.6297 7.6297 7.7512 7.7512 11.1989 11.1989 11.8526 11.8526 11.8742 11.8742 12.7391 12.7391 k = 0.0431-0.0714-0.0433 ( 2089 PWs) bands (ev): -40.3416 -40.3416 -19.2787 -19.2787 -18.7783 -18.7783 -18.6031 -18.6031 -10.1376 -10.1376 -8.9474 -8.9474 1.9015 1.9015 4.1074 4.1074 4.1631 4.1631 5.3838 5.3838 5.7050 5.7050 6.3301 6.3301 6.3679 6.3679 7.1591 7.1591 7.3988 7.3988 7.6320 7.6320 7.7532 7.7532 11.2090 11.2090 11.8500 11.8500 11.8836 11.8836 12.7396 12.7396 k = 0.0517-0.0856-0.0520 ( 2087 PWs) bands (ev): -40.3411 -40.3411 -19.2788 -19.2788 -18.7799 -18.7799 -18.6061 -18.6061 -10.1299 -10.1299 -8.9508 -8.9508 1.9109 1.9109 4.0913 4.0913 4.1668 4.1668 5.3982 5.3982 5.6902 5.6902 6.3209 6.3209 6.3655 6.3655 7.1603 7.1603 7.4002 7.4002 7.6349 7.6349 7.7557 7.7557 11.2212 11.2212 11.8469 11.8469 11.8951 11.8951 12.7401 12.7401 k = 0.0603-0.0999-0.0607 ( 2089 PWs) bands (ev): -40.3406 -40.3406 -19.2789 -19.2789 -18.7818 -18.7818 -18.6094 -18.6094 -10.1208 -10.1208 -8.9547 -8.9547 1.9220 1.9220 4.0729 4.0729 4.1715 4.1715 5.4139 5.4139 5.6725 5.6725 6.3094 6.3094 6.3644 6.3644 7.1617 7.1617 7.4018 7.4018 7.6382 7.6382 7.7587 7.7587 11.2353 11.2353 11.8432 11.8432 11.9084 11.9084 12.7408 12.7408 k = 0.0690-0.1142-0.0693 ( 2091 PWs) bands (ev): -40.3399 -40.3399 -19.2792 -19.2792 -18.7840 -18.7840 -18.6132 -18.6132 -10.1105 -10.1105 -8.9593 -8.9593 1.9348 1.9348 4.0525 4.0525 4.1771 4.1771 5.4305 5.4305 5.6519 5.6519 6.2957 6.2957 6.3648 6.3648 7.1631 7.1631 7.4037 7.4037 7.6420 7.6420 7.7621 7.7621 11.2514 11.2514 11.8389 11.8389 11.9237 11.9237 12.7415 12.7415 k = 0.0776-0.1285-0.0780 ( 2095 PWs) bands (ev): -40.3392 -40.3392 -19.2795 -19.2795 -18.7865 -18.7865 -18.6174 -18.6174 -10.0989 -10.0989 -8.9644 -8.9644 1.9492 1.9492 4.0306 4.0306 4.1834 4.1834 5.4469 5.4469 5.6286 5.6286 6.2800 6.2800 6.3670 6.3670 7.1647 7.1647 7.4059 7.4059 7.6464 7.6464 7.7659 7.7659 11.2693 11.2693 11.8342 11.8342 11.9408 11.9408 12.7423 12.7423 k = 0.0862-0.1427-0.0867 ( 2095 PWs) bands (ev): -40.3384 -40.3384 -19.2798 -19.2798 -18.7894 -18.7894 -18.6219 -18.6219 -10.0861 -10.0861 -8.9701 -8.9701 1.9651 1.9651 4.0075 4.0075 4.1905 4.1905 5.4618 5.4618 5.6036 5.6036 6.2625 6.2625 6.3710 6.3710 7.1664 7.1664 7.4085 7.4085 7.6512 7.6512 7.7703 7.7703 11.2890 11.2890 11.8289 11.8289 11.9596 11.9596 12.7431 12.7431 k = 0.0948-0.1570-0.0953 ( 2097 PWs) bands (ev): -40.3375 -40.3375 -19.2803 -19.2803 -18.7925 -18.7925 -18.6267 -18.6267 -10.0720 -10.0720 -8.9763 -8.9763 1.9826 1.9826 3.9836 3.9836 4.1984 4.1984 5.4722 5.4722 5.5797 5.5797 6.2433 6.2433 6.3771 6.3771 7.1681 7.1681 7.4115 7.4115 7.6566 7.6566 7.7751 7.7751 11.3102 11.3102 11.8231 11.8231 11.9800 11.9800 12.7439 12.7439 k = 0.1034-0.1713-0.1040 ( 2099 PWs) bands (ev): -40.3366 -40.3366 -19.2809 -19.2809 -18.7960 -18.7960 -18.6317 -18.6317 -10.0568 -10.0568 -8.9830 -8.9830 2.0015 2.0015 3.9591 3.9591 4.2070 4.2070 5.4713 5.4713 5.5632 5.5632 6.2226 6.2226 6.3852 6.3852 7.1699 7.1699 7.4149 7.4149 7.6625 7.6625 7.7804 7.7804 11.3330 11.3330 11.8169 11.8169 12.0020 12.0020 12.7446 12.7446 k = 0.1121-0.1855-0.1127 ( 2096 PWs) bands (ev): -40.3355 -40.3355 -19.2816 -19.2816 -18.7998 -18.7998 -18.6368 -18.6368 -10.0406 -10.0406 -8.9902 -8.9902 2.0219 2.0219 3.9344 3.9344 4.2163 4.2163 5.4523 5.4523 5.5609 5.5609 6.2006 6.2006 6.3953 6.3953 7.1717 7.1717 7.4188 7.4188 7.6688 7.6688 7.7862 7.7862 11.3571 11.3571 11.8103 11.8103 12.0254 12.0254 12.7452 12.7452 k = 0.1207-0.1998-0.1213 ( 2100 PWs) bands (ev): -40.3344 -40.3344 -19.2825 -19.2825 -18.8040 -18.8040 -18.6421 -18.6421 -10.0233 -10.0233 -8.9979 -8.9979 2.0438 2.0438 3.9095 3.9095 4.2263 4.2263 5.4191 5.4191 5.5688 5.5688 6.1773 6.1773 6.4075 6.4075 7.1736 7.1736 7.4231 7.4231 7.6757 7.6757 7.7925 7.7925 11.3825 11.3825 11.8033 11.8033 12.0501 12.0501 12.7457 12.7457 k = 0.1293-0.2141-0.1300 ( 2104 PWs) bands (ev): -40.3333 -40.3333 -19.2836 -19.2836 -18.8084 -18.8084 -18.6475 -18.6475 -10.0050 -10.0050 -9.0059 -9.0059 2.0669 2.0669 3.8847 3.8847 4.2367 4.2367 5.3780 5.3780 5.5803 5.5803 6.1528 6.1528 6.4216 6.4216 7.1756 7.1756 7.4279 7.4279 7.6830 7.6830 7.7992 7.7992 11.4091 11.4091 11.7960 11.7960 12.0760 12.0760 12.7459 12.7459 k = 0.1379-0.2284-0.1387 ( 2106 PWs) bands (ev): -40.3321 -40.3321 -19.2849 -19.2849 -18.8132 -18.8132 -18.6528 -18.6528 -9.9858 -9.9858 -9.0144 -9.0144 2.0913 2.0913 3.8603 3.8603 4.2478 4.2478 5.3323 5.3323 5.5924 5.5924 6.1274 6.1274 6.4376 6.4376 7.1778 7.1778 7.4332 7.4332 7.6909 7.6909 7.8064 7.8064 11.4366 11.4366 11.7886 11.7886 12.1031 12.1031 12.7458 12.7458 k = 0.1466-0.2426-0.1473 ( 2108 PWs) bands (ev): -40.3308 -40.3308 -19.2864 -19.2864 -18.8182 -18.8182 -18.6581 -18.6581 -9.9657 -9.9657 -9.0233 -9.0233 2.1170 2.1170 3.8363 3.8363 4.2594 4.2594 5.2833 5.2833 5.6038 5.6038 6.1010 6.1010 6.4554 6.4554 7.1802 7.1802 7.4389 7.4389 7.6992 7.6992 7.8140 7.8140 11.4649 11.4649 11.7812 11.7812 12.1311 12.1311 12.7454 12.7454 k = 0.1552-0.2569-0.1560 ( 2106 PWs) bands (ev): -40.3295 -40.3295 -19.2882 -19.2882 -18.8235 -18.8235 -18.6634 -18.6634 -9.9449 -9.9449 -9.0324 -9.0324 2.1438 2.1438 3.8129 3.8129 4.2716 4.2716 5.2318 5.2318 5.6138 5.6138 6.0738 6.0738 6.4747 6.4747 7.1829 7.1829 7.4452 7.4452 7.7081 7.7081 7.8221 7.8221 11.4937 11.4937 11.7739 11.7739 12.1600 12.1600 12.7444 12.7444 k = 0.1638-0.2712-0.1647 ( 2106 PWs) bands (ev): -40.3281 -40.3281 -19.2903 -19.2903 -18.8291 -18.8291 -18.6685 -18.6685 -9.9233 -9.9233 -9.0419 -9.0419 2.1717 2.1717 3.7901 3.7901 4.2843 4.2843 5.1782 5.1782 5.6221 5.6221 6.0459 6.0459 6.4954 6.4954 7.1861 7.1861 7.4520 7.4520 7.7173 7.7173 7.8305 7.8305 11.5226 11.5226 11.7672 11.7672 12.1896 12.1896 12.7429 12.7429 k = 0.1724-0.2854-0.1733 ( 2108 PWs) bands (ev): -40.3267 -40.3267 -19.2926 -19.2926 -18.8349 -18.8349 -18.6734 -18.6734 -9.9011 -9.9011 -9.0517 -9.0517 2.2006 2.2006 3.7681 3.7681 4.2975 4.2975 5.1230 5.1230 5.6284 5.6284 6.0174 6.0174 6.5173 6.5173 7.1899 7.1899 7.4593 7.4593 7.7270 7.7270 7.8394 7.8394 11.5510 11.5510 11.7618 11.7618 12.2199 12.2199 12.7408 12.7408 k = 0.1810-0.2997-0.1820 ( 2110 PWs) bands (ev): -40.3252 -40.3252 -19.2953 -19.2953 -18.8408 -18.8408 -18.6782 -18.6782 -9.8784 -9.8784 -9.0616 -9.0616 2.2305 2.2305 3.7469 3.7469 4.3111 4.3111 5.0666 5.0666 5.6325 5.6325 5.9883 5.9883 6.5402 6.5402 7.1944 7.1944 7.4670 7.4670 7.7371 7.7371 7.8486 7.8486 11.5776 11.5776 11.7587 11.7587 12.2507 12.2507 12.7380 12.7380 k = 0.1897-0.3140-0.1907 ( 2114 PWs) bands (ev): -40.3237 -40.3237 -19.2984 -19.2984 -18.8469 -18.8469 -18.6827 -18.6827 -9.8551 -9.8551 -9.0718 -9.0718 2.2611 2.2611 3.7266 3.7266 4.3250 4.3250 5.0092 5.0092 5.6344 5.6344 5.9587 5.9587 6.5637 6.5637 7.1999 7.1999 7.4752 7.4752 7.7475 7.7475 7.8581 7.8581 11.6005 11.6005 11.7598 11.7598 12.2819 12.2819 12.7343 12.7343 k = 0.1983-0.3283-0.1993 ( 2115 PWs) bands (ev): -40.3222 -40.3222 -19.3018 -19.3018 -18.8530 -18.8530 -18.6871 -18.6871 -9.8315 -9.8315 -9.0821 -9.0821 2.2926 2.2926 3.7073 3.7073 4.3394 4.3394 4.9514 4.9514 5.6339 5.6339 5.9288 5.9288 6.5876 6.5876 7.2066 7.2066 7.4839 7.4839 7.7584 7.7584 7.8680 7.8680 11.6172 11.6172 11.7677 11.7677 12.3133 12.3133 12.7298 12.7298 k = 0.2069-0.3425-0.2080 ( 2117 PWs) bands (ev): -40.3206 -40.3206 -19.3056 -19.3056 -18.8592 -18.8592 -18.6912 -18.6912 -9.8075 -9.8075 -9.0925 -9.0925 2.3247 2.3247 3.6888 3.6888 4.3542 4.3542 4.8933 4.8933 5.6311 5.6311 5.8986 5.8986 6.6116 6.6116 7.2149 7.2149 7.4931 7.4931 7.7694 7.7694 7.8780 7.8780 11.6256 11.6256 11.7843 11.7843 12.3449 12.3449 12.7243 12.7243 k = 0.2155-0.3568-0.2167 ( 2118 PWs) bands (ev): -40.3190 -40.3190 -19.3097 -19.3097 -18.8653 -18.8653 -18.6951 -18.6951 -9.7834 -9.7834 -9.1029 -9.1029 2.3574 2.3574 3.6713 3.6713 4.3692 4.3692 4.8352 4.8352 5.6258 5.6258 5.8682 5.8682 6.6354 6.6354 7.2249 7.2249 7.5026 7.5026 7.7808 7.7808 7.8884 7.8884 11.6262 11.6262 11.8092 11.8092 12.3766 12.3766 12.7178 12.7178 k = 0.2241-0.3711-0.2253 ( 2120 PWs) bands (ev): -40.3174 -40.3174 -19.3143 -19.3143 -18.8714 -18.8714 -18.6988 -18.6988 -9.7591 -9.7591 -9.1133 -9.1133 2.3906 2.3906 3.6546 3.6546 4.3845 4.3845 4.7776 4.7776 5.6181 5.6181 5.8376 5.8376 6.6585 6.6585 7.2370 7.2370 7.5126 7.5126 7.7924 7.7924 7.8989 7.8989 11.6209 11.6209 11.8404 11.8404 12.4081 12.4081 12.7102 12.7102 k = 0.2328-0.3854-0.2340 ( 2122 PWs) bands (ev): -40.3158 -40.3158 -19.3193 -19.3193 -18.8774 -18.8774 -18.7022 -18.7022 -9.7348 -9.7348 -9.1236 -9.1236 2.4241 2.4241 3.6388 3.6388 4.4001 4.4001 4.7207 4.7207 5.6080 5.6080 5.8068 5.8068 6.6806 6.6806 7.2515 7.2515 7.5230 7.5230 7.8042 7.8042 7.9097 7.9097 11.6115 11.6115 11.8759 11.8759 12.4395 12.4395 12.7015 12.7015 k = 0.2414-0.3996-0.2427 ( 2120 PWs) bands (ev): -40.3141 -40.3141 -19.3246 -19.3246 -18.8832 -18.8832 -18.7054 -18.7054 -9.7106 -9.7106 -9.1338 -9.1338 2.4580 2.4580 3.6238 3.6238 4.4159 4.4159 4.6649 4.6649 5.5955 5.5955 5.7761 5.7761 6.7014 6.7014 7.2687 7.2687 7.5339 7.5339 7.8161 7.8161 7.9205 7.9205 11.5993 11.5993 11.9144 11.9144 12.4707 12.4707 12.6917 12.6917 k = 0.2500-0.4139-0.2513 ( 2121 PWs) bands (ev): -40.3125 -40.3125 -19.3304 -19.3304 -18.8888 -18.8888 -18.7084 -18.7084 -9.6866 -9.6866 -9.1438 -9.1438 2.4920 2.4920 3.6094 3.6094 4.4320 4.4320 4.6104 4.6104 5.5808 5.5808 5.7454 5.7454 6.7205 6.7205 7.2888 7.2888 7.5452 7.5452 7.8282 7.8282 7.9315 7.9315 11.5849 11.5849 11.9552 11.9552 12.5014 12.5014 12.6808 12.6808 k = 0.2586-0.4282-0.2600 ( 2121 PWs) bands (ev): -40.3108 -40.3108 -19.3365 -19.3365 -18.8942 -18.8942 -18.7111 -18.7111 -9.6629 -9.6629 -9.1534 -9.1534 2.5260 2.5260 3.5956 3.5956 4.4481 4.4481 4.5577 4.5577 5.5638 5.5638 5.7147 5.7147 6.7377 6.7377 7.3119 7.3119 7.5571 7.5571 7.8404 7.8404 7.9425 7.9425 11.5687 11.5687 11.9978 11.9978 12.5316 12.5316 12.6688 12.6688 k = 0.2672-0.4424-0.2687 ( 2118 PWs) bands (ev): -40.3092 -40.3092 -19.3429 -19.3429 -18.8993 -18.8993 -18.7137 -18.7137 -9.6396 -9.6396 -9.1627 -9.1627 2.5601 2.5601 3.5822 3.5822 4.4642 4.4642 4.5072 4.5072 5.5446 5.5446 5.6842 5.6842 6.7529 6.7529 7.3379 7.3379 7.5695 7.5695 7.8527 7.8527 7.9535 7.9535 11.5508 11.5508 12.0419 12.0419 12.5612 12.5612 12.6559 12.6559 k = 0.2759-0.4567-0.2773 ( 2122 PWs) bands (ev): -40.3076 -40.3076 -19.3497 -19.3497 -18.9042 -18.9042 -18.7160 -18.7160 -9.6170 -9.6170 -9.1714 -9.1714 2.5940 2.5940 3.5690 3.5690 4.4575 4.4575 4.4821 4.4821 5.5233 5.5233 5.6538 5.6538 6.7660 6.7660 7.3667 7.3667 7.5827 7.5827 7.8651 7.8651 7.9645 7.9645 11.5313 11.5313 12.0873 12.0873 12.5900 12.5900 12.6421 12.6421 k = 0.2845-0.4710-0.2860 ( 2117 PWs) bands (ev): -40.3060 -40.3060 -19.3567 -19.3567 -18.9088 -18.9088 -18.7181 -18.7181 -9.5951 -9.5951 -9.1796 -9.1796 2.6276 2.6276 3.5559 3.5559 4.4126 4.4126 4.4982 4.4982 5.5001 5.5001 5.6236 5.6236 6.7770 6.7770 7.3978 7.3978 7.5969 7.5969 7.8777 7.8777 7.9755 7.9755 11.5103 11.5103 12.1337 12.1337 12.6160 12.6160 12.6297 12.6297 k = 0.2931-0.4853-0.2947 ( 2120 PWs) bands (ev): -40.3044 -40.3044 -19.3639 -19.3639 -18.9131 -18.9131 -18.7201 -18.7201 -9.5741 -9.5741 -9.1870 -9.1870 2.6608 2.6608 3.5426 3.5426 4.3704 4.3704 4.5149 4.5149 5.4750 5.4750 5.5937 5.5937 6.7861 6.7861 7.4304 7.4304 7.6124 7.6124 7.8905 7.8905 7.9864 7.9864 11.4876 11.4876 12.1810 12.1810 12.6104 12.6104 12.6474 12.6474 k = 0.3017-0.4995-0.3033 ( 2125 PWs) bands (ev): -40.3028 -40.3028 -19.3714 -19.3714 -18.9171 -18.9171 -18.7219 -18.7219 -9.5542 -9.5542 -9.1935 -9.1935 2.6934 2.6934 3.5289 3.5289 4.3316 4.3316 4.5317 4.5317 5.4481 5.4481 5.5641 5.5641 6.7933 6.7933 7.4637 7.4637 7.6300 7.6300 7.9036 7.9036 7.9972 7.9972 11.4632 11.4632 12.2288 12.2288 12.5953 12.5953 12.6736 12.6736 k = 0.3103-0.5138-0.3120 ( 2123 PWs) bands (ev): -40.3012 -40.3012 -19.3790 -19.3790 -18.9209 -18.9209 -18.7234 -18.7234 -9.5356 -9.5356 -9.1990 -9.1990 2.7255 2.7255 3.5146 3.5146 4.2967 4.2967 4.5486 4.5486 5.4195 5.4195 5.5348 5.5348 6.7989 6.7989 7.4963 7.4963 7.6505 7.6505 7.9171 7.9171 8.0080 8.0080 11.4371 11.4371 12.2765 12.2765 12.5801 12.5801 12.6992 12.6992 k = 0.3190-0.5281-0.3207 ( 2119 PWs) bands (ev): -40.2997 -40.2997 -19.3867 -19.3867 -18.9244 -18.9244 -18.7248 -18.7248 -9.5185 -9.5185 -9.2033 -9.2033 2.7569 2.7569 3.4994 3.4994 4.2659 4.2659 4.5656 4.5656 5.3894 5.3894 5.5058 5.5058 6.8031 6.8031 7.5267 7.5267 7.6746 7.6746 7.9314 7.9314 8.0187 8.0187 11.4093 11.4093 12.3232 12.3232 12.5663 12.5663 12.7239 12.7239 k = 0.3276-0.5424-0.3293 ( 2115 PWs) bands (ev): -40.2983 -40.2983 -19.3944 -19.3944 -18.9276 -18.9276 -18.7261 -18.7261 -9.5030 -9.5030 -9.2062 -9.2062 2.7875 2.7875 3.4833 3.4833 4.2397 4.2397 4.5827 4.5827 5.3579 5.3579 5.4773 5.4773 6.8060 6.8060 7.5536 7.5536 7.7030 7.7030 7.9467 7.9467 8.0293 8.0293 11.3796 11.3796 12.3665 12.3665 12.5563 12.5563 12.7477 12.7477 k = 0.3362-0.5566-0.3380 ( 2111 PWs) bands (ev): -40.2968 -40.2968 -19.4022 -19.4022 -18.9306 -18.9306 -18.7272 -18.7272 -9.4895 -9.4895 -9.2076 -9.2076 2.8171 2.8171 3.4662 3.4662 4.2181 4.2181 4.5998 4.5998 5.3251 5.3251 5.4492 5.4492 6.8079 6.8079 7.5763 7.5763 7.7351 7.7351 7.9636 7.9636 8.0401 8.0401 11.3482 11.3482 12.4015 12.4015 12.5552 12.5552 12.7703 12.7703 k = 0.3448-0.5709-0.3467 ( 2107 PWs) bands (ev): -40.2954 -40.2954 -19.4098 -19.4098 -18.9333 -18.9333 -18.7282 -18.7282 -9.4779 -9.4779 -9.2074 -9.2074 2.8458 2.8458 3.4480 3.4480 4.2012 4.2012 4.6169 4.6169 5.2911 5.2911 5.4215 5.4215 6.8090 6.8090 7.5954 7.5954 7.7692 7.7692 7.9829 7.9829 8.0511 8.0511 11.3149 11.3149 12.4207 12.4207 12.5704 12.5704 12.7919 12.7919 k = 0.3534-0.5852-0.3553 ( 2113 PWs) bands (ev): -40.2941 -40.2941 -19.4175 -19.4175 -18.9358 -18.9358 -18.7291 -18.7291 -9.4684 -9.4684 -9.2055 -9.2055 2.8733 2.8733 3.4287 3.4287 4.1891 4.1891 4.6339 4.6339 5.2560 5.2560 5.3942 5.3942 6.8093 6.8093 7.6115 7.6115 7.8029 7.8029 8.0048 8.0048 8.0632 8.0632 11.2798 11.2798 12.4225 12.4225 12.6038 12.6038 12.8123 12.8123 k = 0.3621-0.5994-0.3640 ( 2116 PWs) bands (ev): -40.2928 -40.2928 -19.4249 -19.4249 -18.9381 -18.9381 -18.7298 -18.7298 -9.4610 -9.4610 -9.2021 -9.2021 2.8995 2.8995 3.4087 3.4087 4.1816 4.1816 4.6510 4.6510 5.2201 5.2201 5.3675 5.3675 6.8091 6.8091 7.6253 7.6253 7.8340 7.8340 8.0288 8.0288 8.0782 8.0782 11.2429 11.2429 12.4137 12.4137 12.6485 12.6485 12.8316 12.8316 k = 0.3707-0.6137-0.3727 ( 2113 PWs) bands (ev): -40.2916 -40.2916 -19.4321 -19.4321 -18.9402 -18.9402 -18.7304 -18.7304 -9.4555 -9.4555 -9.1972 -9.1972 2.9246 2.9246 3.3880 3.3880 4.1785 4.1785 4.6681 4.6681 5.1834 5.1834 5.3412 5.3412 6.8085 6.8085 7.6375 7.6375 7.8609 7.8609 8.0511 8.0511 8.1006 8.1006 11.2045 11.2045 12.4000 12.4000 12.6989 12.6989 12.8498 12.8498 k = 0.3793-0.6280-0.3813 ( 2113 PWs) bands (ev): -40.2904 -40.2904 -19.4391 -19.4391 -18.9421 -18.9421 -18.7310 -18.7310 -9.4517 -9.4517 -9.1911 -9.1911 2.9484 2.9484 3.3670 3.3670 4.1796 4.1796 4.6851 4.6851 5.1461 5.1461 5.3156 5.3156 6.8075 6.8075 7.6484 7.6484 7.8830 7.8830 8.0674 8.0674 8.1343 8.1343 11.1646 11.1646 12.3844 12.3844 12.7521 12.7521 12.8668 12.8668 k = 0.3879-0.6423-0.3900 ( 2113 PWs) bands (ev): -40.2893 -40.2893 -19.4458 -19.4458 -18.9438 -18.9438 -18.7314 -18.7314 -9.4493 -9.4493 -9.1841 -9.1841 2.9707 2.9707 3.3458 3.3458 4.1846 4.1846 4.7021 4.7021 5.1084 5.1084 5.2904 5.2904 6.8062 6.8062 7.6581 7.6581 7.9008 7.9008 8.0791 8.0791 8.1767 8.1767 11.1236 11.1236 12.3681 12.3681 12.8067 12.8067 12.8827 12.8827 k = 0.3966-0.6565-0.3987 ( 2119 PWs) bands (ev): -40.2883 -40.2883 -19.4522 -19.4522 -18.9454 -18.9454 -18.7318 -18.7318 -9.4482 -9.4482 -9.1765 -9.1765 2.9916 2.9916 3.3249 3.3249 4.1932 4.1932 4.7191 4.7191 5.0703 5.0703 5.2659 5.2659 6.8048 6.8048 7.6669 7.6669 7.9151 7.9151 8.0884 8.0884 8.2240 8.2240 11.0816 11.0816 12.3520 12.3520 12.8615 12.8615 12.8979 12.8979 k = 0.4052-0.6708-0.4073 ( 2119 PWs) bands (ev): -40.2873 -40.2873 -19.4582 -19.4582 -18.9468 -18.9468 -18.7321 -18.7321 -9.4481 -9.4481 -9.1685 -9.1685 3.0111 3.0111 3.3045 3.3045 4.2048 4.2048 4.7359 4.7359 5.0322 5.0322 5.2421 5.2421 6.8033 6.8033 7.6749 7.6749 7.9268 7.9268 8.0965 8.0965 8.2739 8.2739 11.0392 11.0392 12.3363 12.3363 12.9062 12.9062 12.9220 12.9220 k = 0.4138-0.6851-0.4160 ( 2112 PWs) bands (ev): -40.2864 -40.2864 -19.4638 -19.4638 -18.9481 -18.9481 -18.7323 -18.7323 -9.4485 -9.4485 -9.1605 -9.1605 3.0290 3.0290 3.2850 3.2850 4.2194 4.2194 4.7526 4.7526 4.9942 4.9942 5.2190 5.2190 6.8018 6.8018 7.6822 7.6822 7.9364 7.9364 8.1037 8.1037 8.3247 8.3247 10.9968 10.9968 12.3215 12.3215 12.9212 12.9212 12.9743 12.9743 k = 0.4224-0.6994-0.4247 ( 2111 PWs) bands (ev): -40.2856 -40.2856 -19.4689 -19.4689 -18.9492 -18.9492 -18.7325 -18.7325 -9.4495 -9.4495 -9.1526 -9.1526 3.0454 3.0454 3.2664 3.2664 4.2362 4.2362 4.7691 4.7691 4.9566 4.9566 5.1966 5.1966 6.8003 6.8003 7.6887 7.6887 7.9443 7.9443 8.1101 8.1101 8.3750 8.3750 10.9549 10.9549 12.3076 12.3076 12.9325 12.9325 13.0281 13.0281 k = 0.4310-0.7136-0.4333 ( 2112 PWs) bands (ev): -40.2849 -40.2849 -19.4736 -19.4736 -18.9502 -18.9502 -18.7327 -18.7327 -9.4508 -9.4508 -9.1451 -9.1451 3.0603 3.0603 3.2490 3.2490 4.2551 4.2551 4.7852 4.7852 4.9196 4.9196 5.1752 5.1752 6.7988 6.7988 7.6945 7.6945 7.9509 7.9509 8.1158 8.1158 8.4237 8.4237 10.9143 10.9143 12.2949 12.2949 12.9424 12.9424 13.0806 13.0806 k = 0.4397-0.7279-0.4420 ( 2116 PWs) bands (ev): -40.2842 -40.2842 -19.4778 -19.4778 -18.9511 -18.9511 -18.7328 -18.7328 -9.4522 -9.4522 -9.1382 -9.1382 3.0737 3.0737 3.2330 3.2330 4.2753 4.2753 4.8008 4.8008 4.8838 4.8838 5.1546 5.1546 6.7974 6.7974 7.6996 7.6996 7.9564 7.9564 8.1209 8.1209 8.4699 8.4699 10.8755 10.8755 12.2835 12.2835 12.9511 12.9511 13.1309 13.1309 k = 0.4483-0.7422-0.4507 ( 2124 PWs) bands (ev): -40.2836 -40.2836 -19.4816 -19.4816 -18.9518 -18.9518 -18.7329 -18.7329 -9.4537 -9.4537 -9.1319 -9.1319 3.0856 3.0856 3.2186 3.2186 4.2964 4.2964 4.8150 4.8150 4.8503 4.8503 5.1353 5.1353 6.7962 6.7962 7.7040 7.7040 7.9610 7.9610 8.1253 8.1253 8.5125 8.5125 10.8395 10.8395 12.2735 12.2735 12.9585 12.9585 13.1781 13.1781 k = 0.4569-0.7564-0.4593 ( 2125 PWs) bands (ev): -40.2832 -40.2832 -19.4847 -19.4847 -18.9525 -18.9525 -18.7329 -18.7329 -9.4551 -9.4551 -9.1264 -9.1264 3.0960 3.0960 3.2058 3.2058 4.3177 4.3177 4.8125 4.8125 4.8346 4.8346 5.1174 5.1174 6.7950 6.7950 7.7078 7.7078 7.9647 7.9647 8.1290 8.1290 8.5506 8.5506 10.8070 10.8070 12.2649 12.2649 12.9648 12.9648 13.2212 13.2212 k = 0.4655-0.7707-0.4680 ( 2125 PWs) bands (ev): -40.2828 -40.2828 -19.4873 -19.4873 -18.9530 -18.9530 -18.7329 -18.7329 -9.4563 -9.4563 -9.1219 -9.1219 3.1049 3.1049 3.1948 3.1948 4.3383 4.3383 4.7851 4.7851 4.8456 4.8456 5.1014 5.1014 6.7941 6.7941 7.7109 7.7109 7.9677 7.9677 8.1321 8.1321 8.5834 8.5834 10.7789 10.7789 12.2579 12.2579 12.9700 12.9700 13.2591 13.2591 k = 0.4741-0.7850-0.4767 ( 2127 PWs) bands (ev): -40.2824 -40.2824 -19.4894 -19.4894 -18.9534 -18.9534 -18.7330 -18.7330 -9.4573 -9.4573 -9.1182 -9.1182 3.1123 3.1123 3.1857 3.1857 4.3569 4.3569 4.7597 4.7597 4.8567 4.8567 5.0877 5.0877 6.7934 6.7934 7.7132 7.7132 7.9700 7.9700 8.1345 8.1345 8.6099 8.6099 10.7561 10.7561 12.2523 12.2523 12.9739 12.9739 13.2904 13.2904 k = 0.4828-0.7993-0.4853 ( 2127 PWs) bands (ev): -40.2822 -40.2822 -19.4909 -19.4909 -18.9536 -18.9536 -18.7330 -18.7330 -9.4580 -9.4580 -9.1156 -9.1156 3.1180 3.1180 3.1787 3.1787 4.3722 4.3722 4.7396 4.7396 4.8657 4.8657 5.0771 5.0771 6.7928 6.7928 7.7149 7.7149 7.9716 7.9716 8.1362 8.1362 8.6294 8.6294 10.7392 10.7392 12.2484 12.2484 12.9768 12.9768 13.3139 13.3139 k = 0.4914-0.8135-0.4940 ( 2123 PWs) bands (ev): -40.2821 -40.2821 -19.4917 -19.4917 -18.9538 -18.9538 -18.7330 -18.7330 -9.4585 -9.4585 -9.1140 -9.1140 3.1217 3.1217 3.1742 3.1742 4.3824 4.3824 4.7265 4.7265 4.8716 4.8716 5.0702 5.0702 6.7925 6.7925 7.7160 7.7160 7.9725 7.9725 8.1373 8.1373 8.6414 8.6414 10.7288 10.7288 12.2460 12.2460 12.9785 12.9785 13.3285 13.3285 k = 0.5000-0.8278-0.5027 ( 2120 PWs) bands (ev): -40.2820 -40.2820 -19.4920 -19.4920 -18.9538 -18.9538 -18.7330 -18.7330 -9.4586 -9.4586 -9.1134 -9.1134 3.1231 3.1231 3.1727 3.1727 4.3860 4.3860 4.7220 4.7220 4.8737 4.8737 5.0678 5.0678 6.7924 6.7924 7.7164 7.7164 7.9729 7.9729 8.1376 8.1376 8.6454 8.6454 10.7253 10.7253 12.2452 12.2452 12.9790 12.9790 13.3335 13.3335 k = 0.5000-0.8278-0.5027 ( 2120 PWs) bands (ev): -40.2820 -40.2820 -19.4920 -19.4920 -18.9538 -18.9538 -18.7330 -18.7330 -9.4586 -9.4586 -9.1134 -9.1134 3.1231 3.1231 3.1727 3.1727 4.3860 4.3860 4.7220 4.7220 4.8737 4.8737 5.0678 5.0678 6.7924 6.7924 7.7164 7.7164 7.9729 7.9729 8.1376 8.1376 8.6454 8.6454 10.7253 10.7253 12.2452 12.2452 12.9790 12.9790 13.3335 13.3335 k = 0.5000-0.8182-0.5185 ( 2126 PWs) bands (ev): -40.2820 -40.2820 -19.4919 -19.4919 -18.9539 -18.9539 -18.7332 -18.7332 -9.4582 -9.4582 -9.1138 -9.1138 3.1242 3.1242 3.1726 3.1726 4.3842 4.3842 4.7220 4.7220 4.8751 4.8751 5.0663 5.0663 6.7933 6.7933 7.7158 7.7158 7.9728 7.9728 8.1371 8.1371 8.6454 8.6454 10.7269 10.7269 12.2459 12.2459 12.9776 12.9776 13.3339 13.3339 k = 0.5000-0.8085-0.5344 ( 2124 PWs) bands (ev): -40.2820 -40.2820 -19.4915 -19.4915 -18.9540 -18.9540 -18.7340 -18.7340 -9.4568 -9.4568 -9.1146 -9.1146 3.1275 3.1275 3.1726 3.1726 4.3791 4.3791 4.7221 4.7221 4.8798 4.8798 5.0620 5.0620 6.7959 6.7959 7.7143 7.7143 7.9725 7.9725 8.1357 8.1357 8.6453 8.6453 10.7318 10.7318 12.2481 12.2481 12.9734 12.9734 13.3352 13.3352 k = 0.5000-0.7989-0.5503 ( 2124 PWs) bands (ev): -40.2819 -40.2819 -19.4909 -19.4909 -18.9542 -18.9542 -18.7352 -18.7352 -9.4545 -9.4545 -9.1161 -9.1161 3.1331 3.1331 3.1725 3.1725 4.3708 4.3708 4.7221 4.7221 4.8872 4.8872 5.0547 5.0547 6.8002 6.8002 7.7119 7.7119 7.9721 7.9721 8.1335 8.1335 8.6451 8.6451 10.7398 10.7398 12.2516 12.2516 12.9664 12.9664 13.3374 13.3374 k = 0.5000-0.7893-0.5662 ( 2126 PWs) bands (ev): -40.2818 -40.2818 -19.4901 -19.4901 -18.9544 -18.9544 -18.7369 -18.7369 -9.4512 -9.4512 -9.1182 -9.1182 3.1408 3.1408 3.1724 3.1724 4.3597 4.3597 4.7221 4.7221 4.8969 4.8969 5.0447 5.0447 6.8062 6.8062 7.7084 7.7084 7.9716 7.9716 8.1303 8.1303 8.6449 8.6449 10.7510 10.7510 12.2565 12.2565 12.9568 12.9568 13.3406 13.3406 k = 0.5000-0.7796-0.5820 ( 2122 PWs) bands (ev): -40.2817 -40.2817 -19.4890 -19.4890 -18.9547 -18.9547 -18.7391 -18.7391 -9.4471 -9.4471 -9.1208 -9.1208 3.1508 3.1508 3.1723 3.1723 4.3464 4.3464 4.7220 4.7220 4.9087 4.9087 5.0321 5.0321 6.8139 6.8139 7.7040 7.7040 7.9708 7.9708 8.1264 8.1264 8.6446 8.6446 10.7653 10.7653 12.2626 12.2626 12.9447 12.9447 13.3448 13.3448 k = 0.5000-0.7700-0.5979 ( 2122 PWs) bands (ev): -40.2815 -40.2815 -19.4876 -19.4876 -18.9552 -18.9552 -18.7417 -18.7417 -9.4421 -9.4421 -9.1240 -9.1240 3.1627 3.1627 3.1723 3.1723 4.3312 4.3312 4.7215 4.7215 4.9219 4.9219 5.0172 5.0172 6.8232 6.8232 7.6987 7.6987 7.9698 7.9698 8.1218 8.1218 8.6442 8.6442 10.7825 10.7825 12.2697 12.2697 12.9302 12.9302 13.3500 13.3500 k = 0.5000-0.7603-0.6138 ( 2118 PWs) bands (ev): -40.2813 -40.2813 -19.4861 -19.4861 -18.9557 -18.9557 -18.7446 -18.7446 -9.4362 -9.4362 -9.1278 -9.1278 3.1714 3.1714 3.1777 3.1777 4.3146 4.3146 4.7206 4.7206 4.9361 4.9361 5.0003 5.0003 6.8340 6.8340 7.6925 7.6925 7.9686 7.9686 8.1166 8.1166 8.6438 8.6438 10.8025 10.8025 12.2778 12.2778 12.9137 12.9137 13.3565 13.3565 k = 0.5000-0.7507-0.6296 ( 2120 PWs) bands (ev): -40.2811 -40.2811 -19.4844 -19.4844 -18.9563 -18.9563 -18.7480 -18.7480 -9.4295 -9.4295 -9.1321 -9.1321 3.1714 3.1714 3.1937 3.1937 4.2970 4.2970 4.7189 4.7189 4.9505 4.9505 4.9822 4.9822 6.8462 6.8462 7.6855 7.6855 7.9671 7.9671 8.1109 8.1109 8.6433 8.6433 10.8253 10.8253 12.2866 12.2866 12.8952 12.8952 13.3643 13.3643 k = 0.5000-0.7411-0.6455 ( 2120 PWs) bands (ev): -40.2809 -40.2809 -19.4824 -19.4824 -18.9570 -18.9570 -18.7517 -18.7517 -9.4221 -9.4221 -9.1369 -9.1369 3.1712 3.1712 3.2120 3.2120 4.2787 4.2787 4.7161 4.7161 4.9563 4.9563 4.9716 4.9716 6.8599 6.8599 7.6776 7.6776 7.9652 7.9652 8.1049 8.1049 8.6427 8.6427 10.8506 10.8506 12.2961 12.2961 12.8752 12.8752 13.3736 13.3736 k = 0.5000-0.7314-0.6614 ( 2114 PWs) bands (ev): -40.2806 -40.2806 -19.4803 -19.4803 -18.9579 -18.9579 -18.7556 -18.7556 -9.4138 -9.4138 -9.1423 -9.1423 3.1708 3.1708 3.2324 3.2324 4.2601 4.2601 4.7115 4.7115 4.9387 4.9387 4.9842 4.9842 6.8749 6.8749 7.6691 7.6691 7.9629 7.9629 8.0986 8.0986 8.6420 8.6420 10.8782 10.8782 12.3058 12.3058 12.8539 12.8539 13.3844 13.3844 k = 0.5000-0.7218-0.6773 ( 2110 PWs) bands (ev): -40.2804 -40.2804 -19.4780 -19.4780 -18.9589 -18.9589 -18.7597 -18.7597 -9.4049 -9.4049 -9.1481 -9.1481 3.1704 3.1704 3.2547 3.2547 4.2415 4.2415 4.7046 4.7046 4.9186 4.9186 4.9993 4.9993 6.8911 6.8911 7.6599 7.6599 7.9602 7.9602 8.0923 8.0923 8.6413 8.6413 10.9081 10.9081 12.3158 12.3158 12.8316 12.8316 13.3970 13.3970 k = 0.5000-0.7121-0.6931 ( 2108 PWs) bands (ev): -40.2801 -40.2801 -19.4756 -19.4756 -18.9601 -18.9601 -18.7641 -18.7641 -9.3953 -9.3953 -9.1544 -9.1544 3.1698 3.1698 3.2789 3.2789 4.2230 4.2230 4.6944 4.6944 4.8996 4.8996 5.0143 5.0143 6.9084 6.9084 7.6500 7.6500 7.9568 7.9568 8.0860 8.0860 8.6405 8.6405 10.9400 10.9400 12.3258 12.3258 12.8086 12.8086 13.4113 13.4113 k = 0.5000-0.7025-0.7090 ( 2112 PWs) bands (ev): -40.2798 -40.2798 -19.4730 -19.4730 -18.9614 -18.9614 -18.7685 -18.7685 -9.3851 -9.3851 -9.1612 -9.1612 3.1692 3.1692 3.3049 3.3049 4.2049 4.2049 4.6799 4.6799 4.8828 4.8828 5.0288 5.0288 6.9267 6.9267 7.6396 7.6396 7.9529 7.9529 8.0798 8.0798 8.6395 8.6395 10.9737 10.9737 12.3357 12.3357 12.7852 12.7852 13.4276 13.4276 k = 0.5000-0.6929-0.7249 ( 2110 PWs) bands (ev): -40.2794 -40.2794 -19.4704 -19.4704 -18.9629 -18.9629 -18.7730 -18.7730 -9.3743 -9.3743 -9.1683 -9.1683 3.1685 3.1685 3.3326 3.3326 4.1873 4.1873 4.6607 4.6607 4.8690 4.8690 5.0428 5.0428 6.9458 6.9458 7.6286 7.6286 7.9483 7.9483 8.0740 8.0740 8.6385 8.6385 11.0091 11.0091 12.3453 12.3453 12.7618 12.7618 13.4459 13.4459 k = 0.5000-0.6832-0.7407 ( 2110 PWs) bands (ev): -40.2791 -40.2791 -19.4677 -19.4677 -18.9646 -18.9646 -18.7775 -18.7775 -9.3630 -9.3630 -9.1759 -9.1759 3.1676 3.1676 3.3620 3.3620 4.1705 4.1705 4.6366 4.6366 4.8586 4.8586 5.0561 5.0561 6.9656 6.9656 7.6173 7.6173 7.9431 7.9431 8.0686 8.0686 8.6374 8.6374 11.0458 11.0458 12.3545 12.3545 12.7386 12.7386 13.4663 13.4663 k = 0.5000-0.6736-0.7566 ( 2108 PWs) bands (ev): -40.2788 -40.2788 -19.4649 -19.4649 -18.9665 -18.9665 -18.7819 -18.7819 -9.3512 -9.3512 -9.1839 -9.1839 3.1667 3.1667 3.3929 3.3929 4.1544 4.1544 4.6079 4.6079 4.8513 4.8513 5.0686 5.0686 6.9860 6.9860 7.6056 7.6056 7.9371 7.9371 8.0636 8.0636 8.6362 8.6362 11.0838 11.0838 12.3632 12.3632 12.7158 12.7158 13.4887 13.4887 k = 0.5000-0.6640-0.7725 ( 2106 PWs) bands (ev): -40.2784 -40.2784 -19.4621 -19.4621 -18.9685 -18.9685 -18.7862 -18.7862 -9.3390 -9.3390 -9.1921 -9.1921 3.1656 3.1656 3.4253 3.4253 4.1393 4.1393 4.5755 4.5755 4.8466 4.8466 5.0802 5.0802 7.0067 7.0067 7.5937 7.5937 7.9305 7.9305 8.0591 8.0591 8.6349 8.6349 11.1227 11.1227 12.3714 12.3714 12.6938 12.6938 13.5133 13.5133 k = 0.5000-0.6543-0.7884 ( 2104 PWs) bands (ev): -40.2781 -40.2781 -19.4593 -19.4593 -18.9708 -18.9708 -18.7903 -18.7903 -9.3265 -9.3265 -9.2007 -9.2007 3.1644 3.1644 3.4590 3.4590 4.1253 4.1253 4.5400 4.5400 4.8439 4.8439 5.0909 5.0909 7.0278 7.0278 7.5816 7.5816 7.9233 7.9233 8.0550 8.0550 8.6336 8.6336 11.1624 11.1624 12.3791 12.3791 12.6728 12.6728 13.5399 13.5399 k = 0.5000-0.6447-0.8042 ( 2102 PWs) bands (ev): -40.2777 -40.2777 -19.4565 -19.4565 -18.9732 -18.9732 -18.7942 -18.7942 -9.3137 -9.3137 -9.2095 -9.2095 3.1630 3.1630 3.4940 3.4940 4.1124 4.1124 4.5023 4.5023 4.8426 4.8426 5.1006 5.1006 7.0489 7.0489 7.5694 7.5694 7.9155 7.9155 8.0514 8.0514 8.6321 8.6321 11.2025 11.2025 12.3864 12.3864 12.6528 12.6528 13.5686 13.5686 k = 0.5000-0.6350-0.8201 ( 2104 PWs) bands (ev): -40.2774 -40.2774 -19.4537 -19.4537 -18.9757 -18.9757 -18.7980 -18.7980 -9.3008 -9.3008 -9.2186 -9.2186 3.1614 3.1614 3.5301 3.5301 4.1006 4.1006 4.4629 4.4629 4.8422 4.8422 5.1094 5.1094 7.0699 7.0699 7.5573 7.5573 7.9073 7.9073 8.0482 8.0482 8.6306 8.6306 11.2429 11.2429 12.3932 12.3932 12.6341 12.6341 13.5991 13.5991 k = 0.5000-0.6254-0.8360 ( 2108 PWs) bands (ev): -40.2770 -40.2770 -19.4511 -19.4511 -18.9784 -18.9784 -18.8014 -18.8014 -9.2878 -9.2878 -9.2278 -9.2278 3.1596 3.1596 3.5671 3.5671 4.0901 4.0901 4.4224 4.4224 4.8425 4.8425 5.1172 5.1172 7.0906 7.0906 7.5453 7.5453 7.8987 7.8987 8.0454 8.0454 8.6289 8.6289 11.2833 11.2833 12.3998 12.3998 12.6167 12.6167 13.6314 13.6314 k = 0.5000-0.6158-0.8519 ( 2108 PWs) bands (ev): -40.2767 -40.2767 -19.4485 -19.4485 -18.9811 -18.9811 -18.8045 -18.8045 -9.2750 -9.2750 -9.2368 -9.2368 3.1576 3.1576 3.6048 3.6048 4.0810 4.0810 4.3814 4.3814 4.8431 4.8431 5.1241 5.1241 7.1109 7.1109 7.5335 7.5335 7.8898 7.8898 8.0428 8.0428 8.6273 8.6273 11.3235 11.3235 12.4063 12.4063 12.6008 12.6008 13.6652 13.6652 k = 0.5000-0.6061-0.8677 ( 2114 PWs) bands (ev): -40.2764 -40.2764 -19.4462 -19.4462 -18.9839 -18.9839 -18.8074 -18.8074 -9.2634 -9.2634 -9.2448 -9.2448 3.1554 3.1554 3.6430 3.6430 4.0732 4.0732 4.3402 4.3402 4.8438 4.8438 5.1300 5.1300 7.1305 7.1305 7.5220 7.5220 7.8808 7.8808 8.0405 8.0405 8.6255 8.6255 11.3631 11.3631 12.4128 12.4128 12.5861 12.5861 13.7003 13.7003 k = 0.5000-0.5965-0.8836 ( 2112 PWs) bands (ev): -40.2761 -40.2761 -19.4439 -19.4439 -18.9866 -18.9866 -18.8099 -18.8099 -9.2611 -9.2611 -9.2436 -9.2436 3.1529 3.1529 3.6815 3.6815 4.0669 4.0669 4.2994 4.2994 4.8445 4.8445 5.1351 5.1351 7.1492 7.1492 7.5111 7.5111 7.8717 7.8717 8.0383 8.0383 8.6237 8.6237 11.4019 11.4019 12.4196 12.4196 12.5729 12.5729 13.7364 13.7364 k = 0.5000-0.5869-0.8995 ( 2114 PWs) bands (ev): -40.2758 -40.2758 -19.4419 -19.4419 -18.9893 -18.9893 -18.8121 -18.8121 -9.2690 -9.2690 -9.2325 -9.2325 3.1502 3.1502 3.7197 3.7197 4.0620 4.0620 4.2595 4.2595 4.8450 4.8450 5.1392 5.1392 7.1668 7.1668 7.5009 7.5009 7.8625 7.8625 8.0363 8.0363 8.6219 8.6219 11.4396 11.4396 12.4267 12.4267 12.5608 12.5608 13.7729 13.7730 k = 0.5000-0.5772-0.9153 ( 2110 PWs) bands (ev): -40.2755 -40.2755 -19.4400 -19.4400 -18.9919 -18.9919 -18.8140 -18.8140 -9.2784 -9.2784 -9.2200 -9.2200 3.1472 3.1472 3.7571 3.7571 4.0586 4.0586 4.2214 4.2214 4.8453 4.8453 5.1425 5.1425 7.1831 7.1831 7.4915 7.4915 7.8535 7.8535 8.0344 8.0344 8.6200 8.6200 11.4760 11.4760 12.4345 12.4345 12.5498 12.5498 13.8081 13.8082 k = 0.5000-0.5676-0.9312 ( 2110 PWs) bands (ev): -40.2753 -40.2753 -19.4384 -19.4384 -18.9942 -18.9942 -18.8156 -18.8156 -9.2882 -9.2882 -9.2074 -9.2074 3.1440 3.1440 3.7928 3.7928 4.0567 4.0567 4.1859 4.1859 4.8451 4.8451 5.1449 5.1449 7.1977 7.1977 7.4832 7.4832 7.8445 7.8445 8.0325 8.0325 8.6181 8.6181 11.5108 11.5108 12.4431 12.4431 12.5397 12.5397 13.8227 13.8227 k = 0.5000-0.5579-0.9471 ( 2110 PWs) bands (ev): -40.2750 -40.2750 -19.4370 -19.4370 -18.9964 -18.9964 -18.8169 -18.8169 -9.2980 -9.2980 -9.1951 -9.1951 3.1404 3.1404 3.8251 3.8251 4.0563 4.0563 4.1548 4.1548 4.8445 4.8445 5.1467 5.1467 7.2104 7.2104 7.4761 7.4761 7.8358 7.8358 8.0308 8.0308 8.6162 8.6162 11.5438 11.5438 12.4525 12.4525 12.5301 12.5301 13.8088 13.8088 k = 0.5000-0.5483-0.9630 ( 2114 PWs) bands (ev): -40.2748 -40.2748 -19.4359 -19.4359 -18.9982 -18.9982 -18.8180 -18.8180 -9.3079 -9.3079 -9.1831 -9.1831 3.1365 3.1365 3.8515 3.8515 4.0574 4.0574 4.1307 4.1307 4.8432 4.8432 5.1476 5.1476 7.2211 7.2211 7.4704 7.4704 7.8273 7.8273 8.0290 8.0290 8.6143 8.6143 11.5748 11.5748 12.4630 12.4630 12.5210 12.5210 13.7912 13.7912 k = 0.5000-0.5387-0.9788 ( 2114 PWs) bands (ev): -40.2747 -40.2747 -19.4350 -19.4350 -18.9998 -18.9998 -18.8188 -18.8188 -9.3176 -9.3176 -9.1715 -9.1715 3.1322 3.1322 3.8682 3.8682 4.0601 4.0601 4.1174 4.1174 4.8412 4.8412 5.1479 5.1479 7.2294 7.2294 7.4662 7.4662 7.8191 7.8191 8.0273 8.0273 8.6124 8.6124 11.6037 11.6037 12.4741 12.4741 12.5123 12.5123 13.7715 13.7715 k = 0.5000-0.5290-0.9947 ( 2118 PWs) bands (ev): -40.2746 -40.2746 -19.4344 -19.4344 -19.0010 -19.0010 -18.8194 -18.8194 -9.3272 -9.3272 -9.1604 -9.1604 3.1276 3.1276 3.8718 3.8718 4.0645 4.0645 4.1183 4.1183 4.8385 4.8385 5.1476 5.1476 7.2354 7.2354 7.4637 7.4637 7.8112 7.8112 8.0256 8.0256 8.6105 8.6105 11.6303 11.6303 12.4840 12.4840 12.5054 12.5054 13.7494 13.7494 k = 0.5000-0.5194-1.0106 ( 2116 PWs) bands (ev): -40.2745 -40.2745 -19.4340 -19.4340 -19.0017 -19.0017 -18.8198 -18.8198 -9.3367 -9.3367 -9.1498 -9.1498 3.1226 3.1226 3.8626 3.8626 4.0705 4.0705 4.1332 4.1332 4.8351 4.8351 5.1468 5.1468 7.2389 7.2389 7.4628 7.4628 7.8038 7.8038 8.0239 8.0239 8.6085 8.6085 11.6546 11.6546 12.4835 12.4835 12.5092 12.5092 13.7236 13.7236 k = 0.5000-0.5098-1.0264 ( 2110 PWs) bands (ev): -40.2744 -40.2744 -19.4337 -19.4337 -19.0021 -19.0021 -18.8199 -18.8199 -9.3459 -9.3459 -9.1399 -9.1399 3.1173 3.1173 3.8442 3.8442 4.0780 4.0780 4.1585 4.1585 4.8307 4.8307 5.1455 5.1455 7.2403 7.2403 7.4634 7.4634 7.7968 7.7968 8.0223 8.0223 8.6064 8.6064 11.6766 11.6766 12.4728 12.4728 12.5228 12.5228 13.6929 13.6929 k = 0.5000-0.5001-1.0423 ( 2114 PWs) bands (ev): -40.2744 -40.2744 -19.4337 -19.4337 -19.0021 -19.0021 -18.8199 -18.8199 -9.3550 -9.3550 -9.1307 -9.1307 3.1116 3.1116 3.8208 3.8208 4.0869 4.0869 4.1902 4.1902 4.8253 4.8253 5.1436 5.1436 7.2395 7.2395 7.4651 7.4651 7.7902 7.7902 8.0207 8.0207 8.6043 8.6043 11.6963 11.6963 12.4582 12.4582 12.5392 12.5392 13.6561 13.6561 k = 0.5000-0.4905-1.0582 ( 2116 PWs) bands (ev): -40.2745 -40.2745 -19.4339 -19.4339 -19.0016 -19.0016 -18.8198 -18.8198 -9.3638 -9.3638 -9.1222 -9.1222 3.1054 3.1054 3.7951 3.7951 4.0973 4.0973 4.2255 4.2255 4.8190 4.8190 5.1414 5.1414 7.2371 7.2371 7.4677 7.4677 7.7842 7.7842 8.0192 8.0192 8.6019 8.6019 11.7140 11.7140 12.4404 12.4404 12.5570 12.5570 13.6123 13.6123 k = 0.5000-0.4808-1.0741 ( 2118 PWs) bands (ev): -40.2746 -40.2746 -19.4342 -19.4342 -19.0008 -19.0008 -18.8195 -18.8195 -9.3723 -9.3723 -9.1144 -9.1144 3.0989 3.0989 3.7688 3.7688 4.1093 4.1093 4.2626 4.2626 4.8116 4.8116 5.1389 5.1389 7.2333 7.2333 7.4707 7.4707 7.7786 7.7786 8.0177 8.0177 8.5993 8.5993 11.7296 11.7296 12.4189 12.4189 12.5759 12.5759 13.5614 13.5614 k = 0.5000-0.4712-1.0899 ( 2126 PWs) bands (ev): -40.2747 -40.2747 -19.4346 -19.4346 -18.9996 -18.9996 -18.8190 -18.8190 -9.3804 -9.3804 -9.1076 -9.1076 3.0921 3.0921 3.7428 3.7428 4.1226 4.1226 4.3006 4.3006 4.8031 4.8031 5.1361 5.1361 7.2283 7.2283 7.4740 7.4740 7.7736 7.7736 8.0162 8.0162 8.5964 8.5964 11.7435 11.7435 12.3932 12.3932 12.5954 12.5954 13.5043 13.5043 k = 0.8156-0.3833-0.9208 ( 2126 PWs) bands (ev): -40.2747 -40.2747 -19.4346 -19.4346 -18.9996 -18.9996 -18.8190 -18.8190 -9.3804 -9.3804 -9.1076 -9.1076 3.0921 3.0921 3.7428 3.7428 4.1226 4.1226 4.3006 4.3006 4.8031 4.8031 5.1361 5.1361 7.2283 7.2283 7.4740 7.4740 7.7736 7.7736 8.0162 8.0162 8.5964 8.5964 11.7435 11.7435 12.3932 12.3932 12.5954 12.5954 13.5043 13.5043 k = 0.8105-0.3748-0.9046 ( 2128 PWs) bands (ev): -40.2749 -40.2749 -19.4350 -19.4350 -18.9979 -18.9979 -18.8184 -18.8184 -9.3883 -9.3883 -9.1014 -9.1014 3.0847 3.0847 3.7174 3.7174 4.1378 4.1378 4.3396 4.3396 4.7933 4.7933 5.1330 5.1330 7.2225 7.2225 7.4772 7.4772 7.7691 7.7691 8.0149 8.0149 8.5929 8.5929 11.7561 11.7561 12.3620 12.3620 12.6158 12.6158 13.4413 13.4413 k = 0.8054-0.3664-0.8883 ( 2126 PWs) bands (ev): -40.2752 -40.2752 -19.4354 -19.4354 -18.9959 -18.9959 -18.8176 -18.8176 -9.3958 -9.3958 -9.0963 -9.0963 3.0769 3.0769 3.6935 3.6935 4.1545 4.1545 4.3784 4.3784 4.7824 4.7824 5.1298 5.1298 7.2162 7.2162 7.4801 7.4801 7.7653 7.7653 8.0137 8.0137 8.5890 8.5890 11.7673 11.7673 12.3254 12.3254 12.6365 12.6365 13.3760 13.3760 k = 0.8004-0.3580-0.8721 ( 2124 PWs) bands (ev): -40.2755 -40.2755 -19.4358 -19.4358 -18.9935 -18.9935 -18.8167 -18.8167 -9.4029 -9.4029 -9.0921 -9.0921 3.0688 3.0688 3.6714 3.6714 4.1726 4.1726 4.4166 4.4166 4.7702 4.7702 5.1264 5.1264 7.2094 7.2094 7.4826 7.4826 7.7621 7.7621 8.0127 8.0127 8.5843 8.5843 11.7773 11.7773 12.2831 12.2831 12.6572 12.6572 13.3107 13.3107 k = 0.7953-0.3496-0.8559 ( 2128 PWs) bands (ev): -40.2759 -40.2759 -19.4361 -19.4361 -18.9909 -18.9909 -18.8158 -18.8158 -9.4095 -9.4095 -9.0890 -9.0890 3.0603 3.0603 3.6512 3.6512 4.1921 4.1921 4.4541 4.4541 4.7568 4.7568 5.1230 5.1230 7.2025 7.2025 7.4844 7.4844 7.7596 7.7596 8.0118 8.0118 8.5787 8.5787 11.7863 11.7863 12.2350 12.2350 12.6776 12.6776 13.2474 13.2474 k = 0.7902-0.3411-0.8397 ( 2134 PWs) bands (ev): -40.2764 -40.2764 -19.4362 -19.4362 -18.9880 -18.9880 -18.8146 -18.8146 -9.4157 -9.4157 -9.0871 -9.0871 3.0515 3.0515 3.6331 3.6331 4.2129 4.2129 4.4905 4.4905 4.7422 4.7422 5.1195 5.1195 7.1954 7.1954 7.4854 7.4854 7.7577 7.7577 8.0111 8.0111 8.5720 8.5720 11.7945 11.7945 12.1814 12.1814 12.6977 12.6977 13.1873 13.1873 k = 0.7851-0.3327-0.8235 ( 2136 PWs) bands (ev): -40.2769 -40.2769 -19.4362 -19.4362 -18.9848 -18.9848 -18.8134 -18.8134 -9.4213 -9.4213 -9.0862 -9.0862 3.0425 3.0425 3.6174 3.6174 4.2351 4.2351 4.5257 4.5257 4.7264 4.7264 5.1161 5.1161 7.1884 7.1884 7.4855 7.4855 7.7565 7.7565 8.0106 8.0106 8.5641 8.5641 11.8022 11.8022 12.1230 12.1230 12.7171 12.7171 13.1313 13.1313 k = 0.7800-0.3243-0.8073 ( 2140 PWs) bands (ev): -40.2774 -40.2774 -19.4360 -19.4360 -18.9815 -18.9815 -18.8120 -18.8120 -9.4264 -9.4264 -9.0865 -9.0865 3.0333 3.0333 3.6040 3.6040 4.2585 4.2585 4.5595 4.5595 4.7094 4.7094 5.1127 5.1127 7.1814 7.1814 7.4848 7.4848 7.7560 7.7560 8.0103 8.0103 8.5547 8.5547 11.8096 11.8096 12.0606 12.0606 12.7358 12.7358 13.0795 13.0795 k = 0.7749-0.3158-0.7910 ( 2140 PWs) bands (ev): -40.2781 -40.2781 -19.4355 -19.4355 -18.9780 -18.9780 -18.8104 -18.8104 -9.4310 -9.4310 -9.0880 -9.0880 3.0239 3.0239 3.5930 3.5930 4.2832 4.2832 4.5919 4.5919 4.6913 4.6913 5.1095 5.1095 7.1746 7.1746 7.4831 7.4831 7.7562 7.7562 8.0103 8.0103 8.5437 8.5437 11.8166 11.8166 11.9953 11.9953 12.7535 12.7535 13.0320 13.0320 k = 0.7698-0.3074-0.7748 ( 2138 PWs) bands (ev): -40.2787 -40.2787 -19.4348 -19.4348 -18.9745 -18.9745 -18.8087 -18.8087 -9.4349 -9.4349 -9.0906 -9.0906 3.0144 3.0144 3.5845 3.5845 4.3090 4.3090 4.6227 4.6227 4.6722 4.6722 5.1063 5.1063 7.1681 7.1681 7.4805 7.4805 7.7572 7.7572 8.0106 8.0106 8.5308 8.5308 11.8235 11.8235 11.9282 11.9282 12.7702 12.7702 12.9883 12.9883 k = 0.7647-0.2990-0.7586 ( 2132 PWs) bands (ev): -40.2795 -40.2795 -19.4336 -19.4336 -18.9708 -18.9708 -18.8069 -18.8069 -9.4383 -9.4383 -9.0944 -9.0944 3.0049 3.0049 3.5786 3.5786 4.3359 4.3359 4.6477 4.6477 4.6561 4.6561 5.1033 5.1033 7.1619 7.1619 7.4770 7.4770 7.7588 7.7588 8.0112 8.0112 8.5157 8.5157 11.8303 11.8303 11.8607 11.8607 12.7858 12.7858 12.9480 12.9480 k = 0.7596-0.2906-0.7424 ( 2130 PWs) bands (ev): -40.2803 -40.2803 -19.4322 -19.4322 -18.9671 -18.9671 -18.8049 -18.8049 -9.4411 -9.4411 -9.0995 -9.0995 2.9953 2.9953 3.5750 3.5750 4.3637 4.3637 4.6298 4.6298 4.6802 4.6802 5.1005 5.1005 7.1559 7.1559 7.4724 7.4724 7.7611 7.7611 8.0121 8.0121 8.4984 8.4984 11.7933 11.7933 11.8377 11.8377 12.8001 12.8001 12.9107 12.9107 k = 0.7545-0.2821-0.7262 ( 2130 PWs) bands (ev): -40.2812 -40.2812 -19.4304 -19.4304 -18.9633 -18.9633 -18.8028 -18.8028 -9.4433 -9.4433 -9.1058 -9.1058 2.9857 2.9857 3.5740 3.5740 4.3925 4.3925 4.6077 4.6077 4.7057 4.7057 5.0978 5.0978 7.1503 7.1503 7.4668 7.4668 7.7640 7.7640 8.0134 8.0134 8.4785 8.4785 11.7280 11.7280 11.8449 11.8449 12.8129 12.8129 12.8759 12.8759 k = 0.7495-0.2737-0.7100 ( 2130 PWs) bands (ev): -40.2822 -40.2822 -19.4283 -19.4283 -18.9596 -18.9596 -18.8005 -18.8005 -9.4448 -9.4448 -9.1133 -9.1133 2.9762 2.9762 3.5754 3.5754 4.4221 4.4221 4.5847 4.5847 4.7296 4.7296 5.0953 5.0953 7.1449 7.1449 7.4603 7.4603 7.7676 7.7676 8.0150 8.0150 8.4559 8.4559 11.6651 11.6651 11.8523 11.8523 12.8234 12.8234 12.8441 12.8441 k = 0.7444-0.2653-0.6938 ( 2130 PWs) bands (ev): -40.2832 -40.2832 -19.4258 -19.4258 -18.9560 -18.9560 -18.7981 -18.7981 -9.4458 -9.4458 -9.1220 -9.1220 2.9670 2.9670 3.5792 3.5792 4.4524 4.4524 4.5610 4.5610 4.7515 4.7515 5.0930 5.0930 7.1399 7.1399 7.4527 7.4527 7.7717 7.7717 8.0170 8.0170 8.4304 8.4304 11.6055 11.6055 11.8600 11.8600 12.8099 12.8099 12.8365 12.8365 k = 0.7393-0.2568-0.6775 ( 2130 PWs) bands (ev): -40.2843 -40.2843 -19.4229 -19.4229 -18.9523 -18.9523 -18.7955 -18.7955 -9.4462 -9.4462 -9.1318 -9.1318 2.9580 2.9580 3.5853 3.5853 4.4829 4.4829 4.5372 4.5372 4.7716 4.7716 5.0909 5.0909 7.1353 7.1353 7.4440 7.4440 7.7763 7.7763 8.0194 8.0194 8.4022 8.4022 11.5498 11.5498 11.8680 11.8680 12.7808 12.7808 12.8443 12.8443 k = 0.7342-0.2484-0.6613 ( 2130 PWs) bands (ev): -40.2854 -40.2854 -19.4196 -19.4196 -18.9487 -18.9487 -18.7927 -18.7927 -9.4460 -9.4460 -9.1429 -9.1429 2.9494 2.9494 3.5937 3.5937 4.5045 4.5045 4.5226 4.5226 4.7897 4.7897 5.0890 5.0890 7.1310 7.1310 7.4343 7.4343 7.7815 7.7815 8.0222 8.0222 8.3710 8.3710 11.4985 11.4985 11.8763 11.8763 12.7523 12.7523 12.8511 12.8511 k = 0.7291-0.2400-0.6451 ( 2118 PWs) bands (ev): -40.2866 -40.2866 -19.4159 -19.4159 -18.9451 -18.9451 -18.7897 -18.7897 -9.4452 -9.4452 -9.1551 -9.1551 2.9411 2.9411 3.6041 3.6041 4.4844 4.4844 4.5499 4.5499 4.8059 4.8059 5.0872 5.0872 7.1272 7.1272 7.4235 7.4235 7.7871 7.7871 8.0255 8.0255 8.3371 8.3371 11.4521 11.4521 11.8849 11.8849 12.7249 12.7249 12.8562 12.8562 k = 0.7240-0.2316-0.6289 ( 2116 PWs) bands (ev): -40.2878 -40.2878 -19.4119 -19.4119 -18.9417 -18.9417 -18.7866 -18.7866 -9.4438 -9.4438 -9.1684 -9.1684 2.9334 2.9334 3.6164 3.6164 4.4596 4.4596 4.5822 4.5822 4.8201 4.8201 5.0856 5.0856 7.1236 7.1236 7.4114 7.4114 7.7931 7.7931 8.0291 8.0291 8.3004 8.3004 11.4107 11.4107 11.8939 11.8939 12.6984 12.6984 12.8596 12.8596 k = 0.7189-0.2231-0.6127 ( 2112 PWs) bands (ev): -40.2891 -40.2891 -19.4075 -19.4075 -18.9382 -18.9382 -18.7834 -18.7834 -9.4418 -9.4418 -9.1829 -9.1829 2.9262 2.9262 3.6304 3.6304 4.4346 4.4346 4.6152 4.6152 4.8325 4.8325 5.0841 5.0841 7.1203 7.1203 7.3982 7.3982 7.7993 7.7993 8.0333 8.0333 8.2614 8.2614 11.3747 11.3747 11.9031 11.9031 12.6728 12.6728 12.8611 12.8611 k = 0.7138-0.2147-0.5965 ( 2114 PWs) bands (ev): -40.2905 -40.2905 -19.4029 -19.4029 -18.9349 -18.9349 -18.7800 -18.7800 -9.4392 -9.4392 -9.1984 -9.1984 2.9197 2.9197 3.6457 3.6457 4.4099 4.4099 4.6485 4.6485 4.8430 4.8430 5.0828 5.0828 7.1173 7.1173 7.3836 7.3836 7.8057 7.8057 8.0377 8.0377 8.2203 8.2203 11.3439 11.3439 11.9126 11.9126 12.6481 12.6481 12.8608 12.8608 k = 0.7087-0.2063-0.5802 ( 2122 PWs) bands (ev): -40.2919 -40.2919 -19.3979 -19.3979 -18.9315 -18.9315 -18.7765 -18.7765 -9.4362 -9.4362 -9.2149 -9.2149 2.9138 2.9138 3.6619 3.6619 4.3859 4.3859 4.6820 4.6820 4.8516 4.8516 5.0816 5.0816 7.1144 7.1144 7.3676 7.3676 7.8120 7.8120 8.0426 8.0426 8.1777 8.1777 11.3185 11.3185 11.9224 11.9224 12.6243 12.6243 12.8585 12.8585 k = 0.7036-0.1979-0.5640 ( 2120 PWs) bands (ev): -40.2933 -40.2933 -19.3927 -19.3927 -18.9282 -18.9282 -18.7728 -18.7728 -9.4325 -9.4325 -9.2324 -9.2324 2.9088 2.9088 3.6788 3.6788 4.3632 4.3632 4.7155 4.7155 4.8585 4.8585 5.0805 5.0805 7.1118 7.1118 7.3501 7.3501 7.8179 7.8179 8.0477 8.0477 8.1345 8.1345 11.2983 11.2983 11.9324 11.9324 12.6015 12.6015 12.8543 12.8543 k = 0.6985-0.1894-0.5478 ( 2122 PWs) bands (ev): -40.2948 -40.2948 -19.3872 -19.3872 -18.9249 -18.9249 -18.7690 -18.7690 -9.4284 -9.4284 -9.2508 -9.2508 2.9046 2.9046 3.6956 3.6956 4.3423 4.3423 4.7488 4.7488 4.8638 4.8638 5.0796 5.0796 7.1090 7.1090 7.3310 7.3310 7.8230 7.8230 8.0519 8.0519 8.0928 8.0928 11.2832 11.2832 11.9425 11.9425 12.5797 12.5797 12.8481 12.8481 k = 0.6935-0.1810-0.5316 ( 2124 PWs) bands (ev): -40.2964 -40.2964 -19.3816 -19.3816 -18.9215 -18.9215 -18.7650 -18.7650 -9.4238 -9.4238 -9.2701 -9.2701 2.9014 2.9014 3.7117 3.7117 4.3238 4.3238 4.7818 4.7818 4.8675 4.8675 5.0790 5.0790 7.1060 7.1060 7.3102 7.3102 7.8262 7.8262 8.0417 8.0417 8.0676 8.0676 11.2729 11.2729 11.9526 11.9526 12.5589 12.5589 12.8399 12.8399 k = 0.6884-0.1726-0.5154 ( 2120 PWs) bands (ev): -40.2979 -40.2979 -19.3758 -19.3758 -18.9180 -18.9180 -18.7609 -18.7609 -9.4186 -9.4186 -9.2901 -9.2901 2.8992 2.8992 3.7262 3.7262 4.3085 4.3085 4.8143 4.8143 4.8698 4.8698 5.0787 5.0787 7.1023 7.1023 7.2879 7.2879 7.8260 7.8260 8.0077 8.0077 8.0706 8.0706 11.2672 11.2672 11.9628 11.9628 12.5393 12.5393 12.8298 12.8298 k = 0.6833-0.1641-0.4992 ( 2116 PWs) bands (ev): -40.2995 -40.2995 -19.3699 -19.3699 -18.9144 -18.9144 -18.7568 -18.7568 -9.4132 -9.4132 -9.3110 -9.3110 2.8981 2.8981 3.7384 3.7384 4.2973 4.2973 4.8457 4.8457 4.8709 4.8709 5.0788 5.0788 7.0974 7.0974 7.2644 7.2644 7.8196 7.8196 7.9777 7.9777 8.0773 8.0773 11.2658 11.2658 11.9729 11.9729 12.5209 12.5209 12.8179 12.8179 k = 0.6782-0.1557-0.4830 ( 2114 PWs) bands (ev): -40.3011 -40.3011 -19.3639 -19.3639 -18.9108 -18.9108 -18.7525 -18.7525 -9.4073 -9.4073 -9.3324 -9.3324 2.8981 2.8981 3.7471 3.7471 4.2908 4.2908 4.8692 4.8692 4.8777 4.8777 5.0797 5.0797 7.0900 7.0900 7.2403 7.2403 7.8043 7.8043 7.9577 7.9577 8.0849 8.0849 11.2684 11.2684 11.9829 11.9829 12.5038 12.5038 12.8041 12.8041 k = 0.6731-0.1473-0.4667 ( 2116 PWs) bands (ev): -40.3028 -40.3028 -19.3579 -19.3579 -18.9070 -18.9070 -18.7482 -18.7482 -9.4013 -9.4013 -9.3543 -9.3543 2.8993 2.8993 3.7517 3.7517 4.2899 4.2899 4.8690 4.8690 4.9052 4.9052 5.0817 5.0817 7.0785 7.0785 7.2172 7.2172 7.7800 7.7800 7.9488 7.9488 8.0931 8.0931 11.2746 11.2746 11.9927 11.9927 12.4882 12.4882 12.7887 12.7887 k = 0.6680-0.1389-0.4505 ( 2114 PWs) bands (ev): -40.3045 -40.3045 -19.3519 -19.3519 -18.9030 -18.9030 -18.7437 -18.7437 -9.3959 -9.3959 -9.3757 -9.3757 2.9018 2.9018 3.7516 3.7516 4.2948 4.2948 4.8672 4.8672 4.9308 4.9308 5.0858 5.0858 7.0605 7.0605 7.1972 7.1972 7.7502 7.7502 7.9482 7.9482 8.1018 8.1018 11.2840 11.2840 12.0021 12.0021 12.4742 12.4742 12.7717 12.7717 k = 0.6629-0.1304-0.4343 ( 2110 PWs) bands (ev): -40.3061 -40.3061 -19.3460 -19.3460 -18.8989 -18.8989 -18.7392 -18.7392 -9.4037 -9.4037 -9.3841 -9.3841 2.9056 2.9056 3.7466 3.7466 4.3056 4.3056 4.8649 4.8649 4.9525 4.9525 5.0929 5.0929 7.0342 7.0342 7.1822 7.1822 7.7183 7.7183 7.9527 7.9527 8.1110 8.1110 11.2965 11.2965 12.0111 12.0111 12.4619 12.4619 12.7533 12.7533 k = 0.6578-0.1220-0.4181 ( 2110 PWs) bands (ev): -40.3078 -40.3078 -19.3403 -19.3403 -18.8946 -18.8946 -18.7346 -18.7346 -9.4259 -9.4259 -9.3783 -9.3783 2.9107 2.9107 3.7369 3.7369 4.3217 4.3217 4.8625 4.8625 4.9689 4.9689 5.1042 5.1042 6.9991 6.9991 7.1723 7.1723 7.6868 7.6868 7.9601 7.9601 8.1206 8.1206 11.3115 11.3115 12.0196 12.0196 12.4514 12.4514 12.7336 12.7336 k = 0.6527-0.1136-0.4019 ( 2108 PWs) bands (ev): -40.3095 -40.3095 -19.3347 -19.3347 -18.8901 -18.8901 -18.7299 -18.7299 -9.4496 -9.4496 -9.3710 -9.3710 2.9173 2.9173 3.7231 3.7231 4.3423 4.3423 4.8603 4.8603 4.9796 4.9796 5.1200 5.1200 6.9569 6.9569 7.1665 7.1665 7.6568 7.6568 7.9696 7.9696 8.1306 8.1306 11.3287 11.3287 12.0275 12.0275 12.4429 12.4429 12.7128 12.7128 k = 0.6476-0.1051-0.3857 ( 2108 PWs) bands (ev): -40.3113 -40.3113 -19.3293 -19.3293 -18.8853 -18.8853 -18.7251 -18.7251 -9.4738 -9.4738 -9.3634 -9.3634 2.9253 2.9253 3.7058 3.7058 4.3663 4.3663 4.8589 4.8589 4.9848 4.9848 5.1398 5.1398 6.9090 6.9090 7.1635 7.1635 7.6289 7.6289 7.9803 7.9803 8.1409 8.1409 11.3478 11.3478 12.0346 12.0346 12.4365 12.4365 12.6911 12.6911 k = 0.6425-0.0967-0.3694 ( 2106 PWs) bands (ev): -40.3130 -40.3130 -19.3242 -19.3242 -18.8804 -18.8804 -18.7202 -18.7202 -9.4983 -9.4983 -9.3554 -9.3554 2.9349 2.9349 3.6857 3.6857 4.3923 4.3923 4.8589 4.8589 4.9858 4.9858 5.1625 5.1625 6.8569 6.8569 7.1623 7.1623 7.6033 7.6033 7.9919 7.9919 8.1515 8.1515 11.3685 11.3685 12.0409 12.0409 12.4323 12.4323 12.6688 12.6688 k = 0.6375-0.0883-0.3532 ( 2106 PWs) bands (ev): -40.3147 -40.3147 -19.3193 -19.3193 -18.8753 -18.8753 -18.7153 -18.7153 -9.5229 -9.5229 -9.3473 -9.3473 2.9459 2.9459 3.6634 3.6634 4.4190 4.4190 4.8609 4.8609 4.9835 4.9835 5.1867 5.1867 6.8016 6.8016 7.1622 7.1622 7.5801 7.5801 8.0043 8.0043 8.1625 8.1625 11.3904 11.3904 12.0462 12.0462 12.4304 12.4304 12.6459 12.6459 k = 0.6324-0.0799-0.3370 ( 2106 PWs) bands (ev): -40.3163 -40.3163 -19.3147 -19.3147 -18.8700 -18.8700 -18.7103 -18.7103 -9.5475 -9.5475 -9.3390 -9.3390 2.9585 2.9585 3.6395 3.6395 4.4451 4.4451 4.8658 4.8658 4.9786 4.9786 5.2116 5.2116 6.7441 6.7441 7.1629 7.1629 7.5590 7.5590 8.0172 8.0172 8.1737 8.1737 11.4131 11.4131 12.0503 12.0503 12.4309 12.4309 12.6227 12.6227 k = 0.6273-0.0714-0.3208 ( 2106 PWs) bands (ev): -40.3180 -40.3180 -19.3104 -19.3104 -18.8645 -18.8645 -18.7052 -18.7052 -9.5721 -9.5721 -9.3307 -9.3307 2.9726 2.9726 3.6145 3.6145 4.4691 4.4691 4.8745 4.8745 4.9718 4.9718 5.2367 5.2367 6.6852 6.6852 7.1640 7.1640 7.5400 7.5400 8.0306 8.0306 8.1850 8.1850 11.4365 11.4365 12.0533 12.0533 12.4338 12.4338 12.5995 12.5995 k = 0.6222-0.0630-0.3046 ( 2106 PWs) bands (ev): -40.3197 -40.3197 -19.3065 -19.3065 -18.8590 -18.8590 -18.7000 -18.7000 -9.5966 -9.5966 -9.3223 -9.3223 2.9883 2.9883 3.5887 3.5887 4.4897 4.4897 4.8877 4.8877 4.9632 4.9632 5.2616 5.2616 6.6255 6.6255 7.1654 7.1654 7.5228 7.5228 8.0444 8.0444 8.1966 8.1966 11.4603 11.4603 12.0549 12.0549 12.4392 12.4392 12.5765 12.5765 k = 0.6171-0.0546-0.2884 ( 2104 PWs) bands (ev): -40.3213 -40.3213 -19.3029 -19.3029 -18.8533 -18.8533 -18.6947 -18.6947 -9.6209 -9.6209 -9.3139 -9.3139 3.0056 3.0056 3.5626 3.5626 4.5062 4.5062 4.9054 4.9054 4.9537 4.9537 5.2859 5.2859 6.5656 6.5656 7.1671 7.1671 7.5073 7.5073 8.0585 8.0585 8.2083 8.2083 11.4841 11.4841 12.0550 12.0550 12.4470 12.4470 12.5539 12.5539 k = 0.6120-0.0461-0.2722 ( 2104 PWs) bands (ev): -40.3229 -40.3229 -19.2996 -19.2996 -18.8476 -18.8476 -18.6893 -18.6893 -9.6449 -9.6449 -9.3055 -9.3055 3.0243 3.0243 3.5363 3.5363 4.5181 4.5181 4.9234 4.9234 4.9474 4.9474 5.3096 5.3096 6.5060 6.5060 7.1688 7.1688 7.4934 7.4934 8.0729 8.0729 8.2201 8.2201 11.5079 11.5079 12.0535 12.0535 12.4571 12.4571 12.5322 12.5322 k = 0.6069-0.0377-0.2559 ( 2108 PWs) bands (ev): -40.3245 -40.3245 -19.2966 -19.2966 -18.8420 -18.8420 -18.6839 -18.6839 -9.6685 -9.6685 -9.2973 -9.2973 3.0446 3.0446 3.5101 3.5101 4.5254 4.5254 4.9206 4.9206 4.9651 4.9651 5.3324 5.3324 6.4473 6.4473 7.1705 7.1705 7.4809 7.4809 8.0875 8.0875 8.2318 8.2318 11.5313 11.5313 12.0504 12.0504 12.4686 12.4686 12.5120 12.5120 k = 0.6018-0.0293-0.2397 ( 2104 PWs) bands (ev): -40.3260 -40.3260 -19.2940 -19.2940 -18.8363 -18.8363 -18.6783 -18.6783 -9.6916 -9.6916 -9.2891 -9.2891 3.0664 3.0664 3.4842 3.4842 4.5287 4.5287 4.9065 4.9065 4.9967 4.9967 5.3544 5.3544 6.3897 6.3897 7.1721 7.1721 7.4697 7.4697 8.1023 8.1023 8.2436 8.2436 11.5543 11.5543 12.0455 12.0455 12.4762 12.4762 12.4988 12.4988 k = 0.5967-0.0209-0.2235 ( 2098 PWs) bands (ev): -40.3275 -40.3275 -19.2916 -19.2916 -18.8308 -18.8308 -18.6726 -18.6726 -9.7143 -9.7143 -9.2810 -9.2810 3.0896 3.0896 3.4588 3.4588 4.5287 4.5287 4.8893 4.8893 5.0328 5.0328 5.3754 5.3754 6.3339 6.3339 7.1737 7.1737 7.4597 7.4597 8.1172 8.1172 8.2553 8.2553 11.5768 11.5768 12.0389 12.0389 12.4652 12.4652 12.5075 12.5075 k = 0.5916-0.0124-0.2073 ( 2100 PWs) bands (ev): -40.3289 -40.3289 -19.2896 -19.2896 -18.8254 -18.8254 -18.6670 -18.6670 -9.7363 -9.7363 -9.2732 -9.2732 3.1143 3.1143 3.4340 3.4340 4.5262 4.5262 4.8699 4.8699 5.0714 5.0714 5.3954 5.3954 6.2800 6.2800 7.1750 7.1750 7.4508 7.4508 8.1321 8.1321 8.2669 8.2669 11.5987 11.5987 12.0305 12.0305 12.4481 12.4481 12.5250 12.5250 k = 0.5865-0.0040-0.1911 ( 2104 PWs) bands (ev): -40.3303 -40.3303 -19.2878 -19.2878 -18.8202 -18.8202 -18.6613 -18.6613 -9.7576 -9.7576 -9.2656 -9.2656 3.1402 3.1402 3.4099 3.4099 4.5216 4.5216 4.8486 4.8486 5.1116 5.1116 5.4143 5.4143 6.2284 6.2284 7.1761 7.1761 7.4429 7.4429 8.1470 8.1470 8.2784 8.2784 11.6198 11.6198 12.0205 12.0205 12.4312 12.4312 12.5452 12.5452 k = 0.5815 0.0044-0.1749 ( 2108 PWs) bands (ev): -40.3316 -40.3316 -19.2863 -19.2863 -18.8152 -18.8152 -18.6555 -18.6555 -9.7782 -9.7782 -9.2582 -9.2582 3.1673 3.1673 3.3867 3.3867 4.5157 4.5157 4.8254 4.8254 5.1525 5.1525 5.4321 5.4321 6.1795 6.1795 7.1770 7.1770 7.4359 7.4359 8.1618 8.1618 8.2896 8.2896 11.6402 11.6402 12.0090 12.0090 12.4153 12.4153 12.5669 12.5669 k = 0.5764 0.0129-0.1587 ( 2112 PWs) bands (ev): -40.3329 -40.3329 -19.2851 -19.2851 -18.8104 -18.8104 -18.6498 -18.6498 -9.7979 -9.7979 -9.2511 -9.2511 3.1956 3.1956 3.3644 3.3644 4.5089 4.5089 4.8003 4.8003 5.1934 5.1934 5.4489 5.4489 6.1333 6.1333 7.1777 7.1777 7.4298 7.4298 8.1764 8.1764 8.3007 8.3007 11.6598 11.6598 11.9961 11.9961 12.4004 12.4004 12.5896 12.5896 k = 0.5713 0.0213-0.1424 ( 2106 PWs) bands (ev): -40.3341 -40.3341 -19.2840 -19.2840 -18.8059 -18.8059 -18.6442 -18.6442 -9.8167 -9.8167 -9.2443 -9.2443 3.2249 3.2249 3.3432 3.3432 4.5016 4.5016 4.7735 4.7735 5.2338 5.2338 5.4646 5.4646 6.0902 6.0902 7.1782 7.1782 7.4246 7.4246 8.1908 8.1908 8.3115 8.3115 11.6786 11.6786 11.9821 11.9821 12.3866 12.3866 12.6131 12.6131 k = 0.5662 0.0297-0.1262 ( 2106 PWs) bands (ev): -40.3352 -40.3352 -19.2831 -19.2831 -18.8017 -18.8017 -18.6386 -18.6386 -9.8346 -9.8346 -9.2378 -9.2378 3.2550 3.2550 3.3231 3.3231 4.4939 4.4939 4.7452 4.7452 5.2730 5.2730 5.4792 5.4792 6.0503 6.0503 7.1785 7.1785 7.4200 7.4200 8.2047 8.2047 8.3220 8.3220 11.6965 11.6965 11.9671 11.9671 12.3738 12.3738 12.6367 12.6367 k = 0.5611 0.0381-0.1100 ( 2104 PWs) bands (ev): -40.3363 -40.3363 -19.2823 -19.2823 -18.7978 -18.7978 -18.6332 -18.6332 -9.8514 -9.8514 -9.2317 -9.2317 3.2857 3.2857 3.3043 3.3043 4.4862 4.4862 4.7154 4.7154 5.3107 5.3107 5.4928 5.4928 6.0137 6.0137 7.1786 7.1786 7.4162 7.4162 8.2181 8.2181 8.3321 8.3321 11.7136 11.7136 11.9516 11.9516 12.3620 12.3620 12.6603 12.6603 k = 0.5560 0.0466-0.0938 ( 2102 PWs) bands (ev): -40.3373 -40.3373 -19.2818 -19.2818 -18.7942 -18.7942 -18.6280 -18.6280 -9.8671 -9.8671 -9.2260 -9.2260 3.2867 3.2867 3.3169 3.3169 4.4785 4.4785 4.6847 4.6847 5.3465 5.3465 5.5054 5.5054 5.9803 5.9803 7.1785 7.1785 7.4129 7.4129 8.2310 8.2310 8.3419 8.3419 11.7297 11.7297 11.9358 11.9358 12.3512 12.3512 12.6834 12.6834 k = 0.5509 0.0550-0.0776 ( 2102 PWs) bands (ev): -40.3382 -40.3382 -19.2813 -19.2813 -18.7909 -18.7909 -18.6230 -18.6230 -9.8816 -9.8816 -9.2207 -9.2207 3.2704 3.2704 3.3481 3.3481 4.4711 4.4711 4.6531 4.6531 5.3798 5.3798 5.5171 5.5171 5.9504 5.9504 7.1783 7.1783 7.4102 7.4102 8.2430 8.2430 8.3512 8.3512 11.7449 11.7449 11.9200 11.9200 12.3414 12.3414 12.7057 12.7057 k = 0.5458 0.0634-0.0614 ( 2106 PWs) bands (ev): -40.3390 -40.3390 -19.2810 -19.2810 -18.7880 -18.7880 -18.6183 -18.6183 -9.8949 -9.8949 -9.2159 -9.2159 3.2555 3.2555 3.3792 3.3792 4.4641 4.4641 4.6213 4.6213 5.4104 5.4104 5.5279 5.5279 5.9238 5.9238 7.1780 7.1780 7.4080 7.4080 8.2542 8.2542 8.3600 8.3600 11.7590 11.7590 11.9045 11.9045 12.3324 12.3324 12.7268 12.7268 k = 0.5407 0.0719-0.0451 ( 2102 PWs) bands (ev): -40.3398 -40.3398 -19.2807 -19.2807 -18.7854 -18.7854 -18.6140 -18.6140 -9.9070 -9.9070 -9.2115 -9.2115 3.2421 3.2421 3.4096 3.4096 4.4576 4.4576 4.5898 4.5898 5.4379 5.4379 5.5380 5.5380 5.9004 5.9004 7.1776 7.1776 7.4062 7.4062 8.2644 8.2644 8.3683 8.3683 11.7719 11.7719 11.8896 11.8896 12.3243 12.3243 12.7465 12.7465 k = 0.5356 0.0803-0.0289 ( 2100 PWs) bands (ev): -40.3405 -40.3405 -19.2805 -19.2805 -18.7830 -18.7830 -18.6100 -18.6100 -9.9177 -9.9177 -9.2076 -9.2076 3.2301 3.2301 3.4389 3.4389 4.4516 4.4516 4.5591 4.5591 5.4620 5.4620 5.5475 5.5475 5.8802 5.8802 7.1772 7.1772 7.4047 7.4047 8.2737 8.2737 8.3760 8.3760 11.7836 11.7836 11.8756 11.8756 12.3171 12.3171 12.7645 12.7645 k = 0.5305 0.0887-0.0127 ( 2102 PWs) bands (ev): -40.3410 -40.3410 -19.2803 -19.2803 -18.7811 -18.7811 -18.6065 -18.6065 -9.9271 -9.9271 -9.2041 -9.2041 3.2197 3.2197 3.4665 3.4665 4.4462 4.4462 4.5300 4.5300 5.4822 5.4822 5.5566 5.5566 5.8631 5.8631 7.1767 7.1767 7.4036 7.4036 8.2817 8.2817 8.3829 8.3829 11.7940 11.7940 11.8629 11.8629 12.3107 12.3107 12.7806 12.7806 k = 0.5255 0.0971 0.0035 ( 2094 PWs) bands (ev): -40.3415 -40.3415 -19.2802 -19.2802 -18.7794 -18.7794 -18.6035 -18.6035 -9.9352 -9.9352 -9.2012 -9.2012 3.2108 3.2108 3.4918 3.4918 4.4415 4.4415 4.5035 4.5035 5.4986 5.4986 5.5652 5.5652 5.8490 5.8490 7.1763 7.1763 7.4027 7.4027 8.2887 8.2887 8.3890 8.3890 11.8030 11.8030 11.8516 11.8516 12.3053 12.3053 12.7944 12.7944 k = 0.5204 0.1056 0.0197 ( 2094 PWs) bands (ev): -40.3420 -40.3420 -19.2801 -19.2801 -18.7780 -18.7780 -18.6009 -18.6009 -9.9418 -9.9418 -9.1988 -9.1988 3.2035 3.2035 3.5140 3.5140 4.4372 4.4372 4.4802 4.4802 5.5110 5.5110 5.5732 5.5732 5.8377 5.8377 7.1759 7.1759 7.4020 7.4020 8.2943 8.2943 8.3942 8.3942 11.8105 11.8105 11.8421 11.8421 12.3009 12.3009 12.8060 12.8060 k = 0.5153 0.1140 0.0359 ( 2088 PWs) bands (ev): -40.3423 -40.3423 -19.2801 -19.2801 -18.7769 -18.7769 -18.5989 -18.5989 -9.9469 -9.9469 -9.1969 -9.1969 3.1978 3.1978 3.5324 3.5324 4.4334 4.4334 4.4616 4.4616 5.5200 5.5200 5.5802 5.5802 5.8291 5.8291 7.1756 7.1756 7.4016 7.4016 8.2988 8.2988 8.3983 8.3983 11.8165 11.8165 11.8344 11.8344 12.2973 12.2973 12.8152 12.8152 k = 0.5102 0.1224 0.0521 ( 2088 PWs) bands (ev): -40.3425 -40.3425 -19.2801 -19.2801 -18.7762 -18.7762 -18.5974 -18.5974 -9.9506 -9.9506 -9.1955 -9.1955 3.1937 3.1937 3.5462 3.5462 4.4294 4.4294 4.4486 4.4486 5.5259 5.5259 5.5857 5.5857 5.8230 5.8230 7.1753 7.1753 7.4012 7.4012 8.3020 8.3020 8.4013 8.4013 11.8207 11.8207 11.8288 11.8288 12.2948 12.2948 12.8218 12.8218 k = 0.5051 0.1309 0.0684 ( 2088 PWs) bands (ev): -40.3426 -40.3426 -19.2801 -19.2801 -18.7758 -18.7758 -18.5966 -18.5966 -9.9528 -9.9528 -9.1947 -9.1947 3.1913 3.1913 3.5548 3.5548 4.4256 4.4256 4.4419 4.4419 5.5293 5.5293 5.5892 5.5892 5.8194 5.8194 7.1752 7.1752 7.4010 7.4010 8.3039 8.3039 8.4032 8.4032 11.8232 11.8232 11.8256 11.8256 12.2933 12.2933 12.8257 12.8257 k = 0.5000 0.1393 0.0846 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2801 -19.2801 -18.7756 -18.7756 -18.5963 -18.5963 -9.9536 -9.9536 -9.1944 -9.1944 3.1904 3.1904 3.5577 3.5577 4.4239 4.4239 4.4400 4.4400 5.5304 5.5304 5.5904 5.5904 5.8182 5.8182 7.1751 7.1751 7.4010 7.4010 8.3045 8.3045 8.4038 8.4038 11.8236 11.8236 11.8249 11.8249 12.2928 12.2928 12.8271 12.8271 k = 0.5000 0.1393 0.0846 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2801 -19.2801 -18.7756 -18.7756 -18.5963 -18.5963 -9.9536 -9.9536 -9.1944 -9.1944 3.1904 3.1904 3.5577 3.5577 4.4239 4.4239 4.4400 4.4400 5.5304 5.5304 5.5904 5.5904 5.8182 5.8182 7.1751 7.1751 7.4010 7.4010 8.3045 8.3045 8.4038 8.4038 11.8236 11.8236 11.8249 11.8249 12.2928 12.2928 12.8271 12.8271 k = 0.4821 0.1343 0.0816 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2800 -19.2800 -18.7756 -18.7756 -18.5963 -18.5963 -9.9544 -9.9544 -9.1934 -9.1934 3.1697 3.1697 3.5798 3.5798 4.4226 4.4226 4.4388 4.4388 5.5328 5.5328 5.5928 5.5928 5.8181 5.8181 7.1751 7.1751 7.4009 7.4009 8.3028 8.3028 8.4021 8.4021 11.8237 11.8237 11.8250 11.8250 12.2938 12.2938 12.8188 12.8188 k = 0.4643 0.1293 0.0785 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2800 -19.2800 -18.7756 -18.7756 -18.5963 -18.5963 -9.9569 -9.9569 -9.1905 -9.1905 3.1179 3.1179 3.6353 3.6353 4.4188 4.4188 4.4351 4.4351 5.5399 5.5399 5.5999 5.5999 5.8177 5.8177 7.1750 7.1750 7.4009 7.4009 8.2978 8.2978 8.3972 8.3972 11.8241 11.8241 11.8253 11.8253 12.2967 12.2967 12.7944 12.7944 k = 0.4464 0.1244 0.0755 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2800 -19.2800 -18.7756 -18.7756 -18.5963 -18.5963 -9.9610 -9.9610 -9.1856 -9.1856 3.0508 3.0508 3.7085 3.7085 4.4126 4.4126 4.4291 4.4291 5.5516 5.5516 5.6117 5.6117 5.8171 5.8171 7.1749 7.1749 7.4008 7.4008 8.2895 8.2895 8.3889 8.3889 11.8246 11.8246 11.8259 11.8259 12.3015 12.3015 12.7558 12.7558 k = 0.4286 0.1194 0.0725 ( 2097 PWs) bands (ev): -40.3427 -40.3427 -19.2800 -19.2800 -18.7756 -18.7756 -18.5963 -18.5963 -9.9665 -9.9665 -9.1789 -9.1789 2.9773 2.9773 3.7906 3.7906 4.4040 4.4040 4.4208 4.4208 5.5675 5.5675 5.6278 5.6278 5.8162 5.8162 7.1747 7.1747 7.4007 7.4007 8.2779 8.2779 8.3774 8.3774 11.8254 11.8254 11.8266 11.8266 12.3076 12.3077 12.7052 12.7052 k = 0.4107 0.1144 0.0695 ( 2091 PWs) bands (ev): -40.3427 -40.3427 -19.2800 -19.2800 -18.7756 -18.7756 -18.5963 -18.5963 -9.9734 -9.9734 -9.1706 -9.1706 2.9016 2.9016 3.8772 3.8772 4.3936 4.3936 4.4108 4.4108 5.5875 5.5875 5.6481 5.6481 5.8153 5.8153 7.1745 7.1745 7.4006 7.4006 8.2632 8.2632 8.3628 8.3628 11.8264 11.8264 11.8276 11.8276 12.3146 12.3146 12.6458 12.6458 k = 0.3929 0.1094 0.0665 ( 2094 PWs) bands (ev): -40.3427 -40.3427 -19.2799 -19.2799 -18.7755 -18.7755 -18.5963 -18.5963 -9.9815 -9.9815 -9.1608 -9.1608 2.8257 2.8257 3.9663 3.9663 4.3815 4.3815 4.3991 4.3991 5.6109 5.6109 5.6721 5.6721 5.8144 5.8144 7.1742 7.1742 7.4004 7.4004 8.2454 8.2454 8.3452 8.3452 11.8276 11.8276 11.8287 11.8287 12.3206 12.3206 12.5811 12.5811 k = 0.3750 0.1045 0.0634 ( 2097 PWs) bands (ev): -40.3427 -40.3427 -19.2799 -19.2799 -18.7755 -18.7755 -18.5963 -18.5963 -9.9905 -9.9905 -9.1498 -9.1498 2.7506 2.7506 4.0568 4.0568 4.3680 4.3680 4.3860 4.3860 5.6372 5.6372 5.6996 5.6996 5.8137 5.8137 7.1738 7.1738 7.4002 7.4002 8.2246 8.2246 8.3247 8.3247 11.8289 11.8289 11.8300 11.8300 12.3215 12.3215 12.5174 12.5174 k = 0.3571 0.0995 0.0604 ( 2097 PWs) bands (ev): -40.3427 -40.3427 -19.2798 -19.2798 -18.7755 -18.7755 -18.5963 -18.5963 -10.0004 -10.0004 -9.1377 -9.1377 2.6771 2.6771 4.1478 4.1478 4.3534 4.3534 4.3718 4.3718 5.6657 5.6657 5.7303 5.7303 5.8139 5.8139 7.1734 7.1734 7.4000 7.4000 8.2012 8.2012 8.3015 8.3015 11.8304 11.8304 11.8315 11.8315 12.3066 12.3066 12.4670 12.4670 k = 0.3393 0.0945 0.0574 ( 2097 PWs) bands (ev): -40.3427 -40.3427 -19.2797 -19.2797 -18.7754 -18.7754 -18.5963 -18.5963 -10.0109 -10.0109 -9.1248 -9.1248 2.6056 2.6056 4.2386 4.2386 4.3382 4.3382 4.3569 4.3569 5.6951 5.6951 5.7636 5.7636 5.8156 5.8156 7.1729 7.1729 7.3998 7.3998 8.1751 8.1751 8.2758 8.2758 11.8320 11.8320 11.8330 11.8330 12.2620 12.2620 12.4449 12.4449 k = 0.3214 0.0895 0.0544 ( 2097 PWs) bands (ev): -40.3427 -40.3427 -19.2796 -19.2796 -18.7754 -18.7754 -18.5963 -18.5963 -10.0218 -10.0218 -9.1113 -9.1113 2.5363 2.5363 4.3194 4.3194 4.3320 4.3320 4.3415 4.3415 5.7229 5.7229 5.7994 5.7994 5.8211 5.8211 7.1724 7.1724 7.3995 7.3995 8.1466 8.1466 8.2478 8.2478 11.8337 11.8337 11.8346 11.8346 12.1935 12.1935 12.4464 12.4464 k = 0.3036 0.0846 0.0514 ( 2103 PWs) bands (ev): -40.3427 -40.3427 -19.2796 -19.2796 -18.7754 -18.7754 -18.5963 -18.5963 -10.0331 -10.0331 -9.0974 -9.0974 2.4696 2.4696 4.3058 4.3058 4.3258 4.3258 4.4188 4.4188 5.7452 5.7452 5.8338 5.8338 5.8371 5.8371 7.1719 7.1719 7.3993 7.3993 8.1160 8.1160 8.2176 8.2176 11.8355 11.8355 11.8363 11.8363 12.1146 12.1146 12.4589 12.4589 k = 0.2857 0.0796 0.0483 ( 2091 PWs) bands (ev): -40.3427 -40.3427 -19.2794 -19.2794 -18.7753 -18.7753 -18.5963 -18.5963 -10.0444 -10.0444 -9.0832 -9.0832 2.4062 2.4062 4.2899 4.2899 4.3102 4.3102 4.5065 4.5065 5.7585 5.7585 5.8572 5.8572 5.8765 5.8765 7.1713 7.1713 7.3990 7.3990 8.0834 8.0834 8.1856 8.1856 11.8373 11.8373 11.8380 11.8380 12.0319 12.0319 12.4765 12.4765 k = 0.2679 0.0746 0.0453 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2793 -19.2793 -18.7752 -18.7752 -18.5963 -18.5963 -10.0557 -10.0557 -9.0690 -9.0690 2.3454 2.3454 4.2741 4.2741 4.2946 4.2946 4.5924 4.5924 5.7642 5.7642 5.8894 5.8894 5.9172 5.9172 7.1706 7.1706 7.3987 7.3987 8.0491 8.0491 8.1521 8.1521 11.8392 11.8392 11.8394 11.8394 11.9485 11.9485 12.4967 12.4967 k = 0.2500 0.0696 0.0423 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2793 -19.2793 -18.7752 -18.7752 -18.5963 -18.5963 -10.0668 -10.0668 -9.0549 -9.0549 2.2878 2.2878 4.2586 4.2586 4.2794 4.2794 4.6760 4.6760 5.7656 5.7656 5.9267 5.9267 5.9588 5.9588 7.1698 7.1698 7.3985 7.3985 8.0135 8.0135 8.1172 8.1172 11.8383 11.8383 11.8410 11.8410 11.8684 11.8684 12.5185 12.5185 k = 0.2321 0.0647 0.0393 ( 2086 PWs) bands (ev): -40.3427 -40.3427 -19.2792 -19.2792 -18.7751 -18.7751 -18.5963 -18.5963 -10.0776 -10.0776 -9.0410 -9.0410 2.2335 2.2335 4.2436 4.2436 4.2647 4.2647 4.7568 4.7568 5.7649 5.7649 5.9666 5.9666 6.0010 6.0010 7.1690 7.1690 7.3982 7.3982 7.9769 7.9769 8.0815 8.0815 11.7815 11.7815 11.8428 11.8428 11.8456 11.8456 12.5411 12.5411 k = 0.2143 0.0597 0.0362 ( 2086 PWs) bands (ev): -40.3427 -40.3427 -19.2791 -19.2791 -18.7750 -18.7750 -18.5963 -18.5963 -10.0881 -10.0881 -9.0276 -9.0276 2.1827 2.1827 4.2293 4.2293 4.2507 4.2507 4.8343 4.8343 5.7630 5.7630 6.0078 6.0078 6.0434 6.0434 7.1681 7.1681 7.3979 7.3979 7.9395 7.9395 8.0452 8.0452 11.7037 11.7037 11.8446 11.8446 11.8464 11.8464 12.5641 12.5641 k = 0.1964 0.0547 0.0332 ( 2083 PWs) bands (ev): -40.3427 -40.3427 -19.2790 -19.2790 -18.7750 -18.7750 -18.5963 -18.5963 -10.0980 -10.0980 -9.0148 -9.0148 2.1354 2.1354 4.2159 4.2159 4.2375 4.2375 4.9082 4.9082 5.7606 5.7606 6.0494 6.0494 6.0855 6.0855 7.1672 7.1672 7.3977 7.3977 7.9018 7.9018 8.0087 8.0087 11.6286 11.6286 11.8463 11.8464 11.8479 11.8479 12.5869 12.5869 k = 0.1786 0.0497 0.0302 ( 2083 PWs) bands (ev): -40.3427 -40.3427 -19.2789 -19.2789 -18.7749 -18.7749 -18.5963 -18.5963 -10.1073 -10.1073 -9.0027 -9.0027 2.0919 2.0919 4.2032 4.2032 4.2250 4.2250 4.9780 4.9780 5.7579 5.7579 6.0907 6.0907 6.1269 6.1269 7.1661 7.1661 7.3974 7.3974 7.8642 7.8642 7.9725 7.9725 11.5573 11.5573 11.8480 11.8480 11.8494 11.8494 12.6093 12.6093 k = 0.1607 0.0448 0.0272 ( 2083 PWs) bands (ev): -40.3427 -40.3427 -19.2788 -19.2788 -18.7749 -18.7749 -18.5963 -18.5963 -10.1160 -10.1160 -8.9914 -8.9914 2.0523 2.0523 4.1915 4.1915 4.2135 4.2135 5.0431 5.0431 5.7550 5.7550 6.1311 6.1311 6.1671 6.1671 7.1650 7.1650 7.3972 7.3972 7.8273 7.8273 7.9370 7.9370 11.4906 11.4906 11.8495 11.8495 11.8509 11.8509 12.6309 12.6309 k = 0.1429 0.0398 0.0242 ( 2083 PWs) bands (ev): -40.3427 -40.3427 -19.2788 -19.2788 -18.7748 -18.7748 -18.5962 -18.5962 -10.1239 -10.1239 -8.9810 -8.9810 2.0166 2.0166 4.1809 4.1809 4.2031 4.2031 5.1031 5.1031 5.7521 5.7521 6.1700 6.1700 6.2057 6.2057 7.1638 7.1638 7.3970 7.3970 7.7916 7.7916 7.9029 7.9029 11.4291 11.4291 11.8509 11.8509 11.8522 11.8522 12.6513 12.6513 k = 0.1250 0.0348 0.0211 ( 2074 PWs) bands (ev): -40.3427 -40.3427 -19.2786 -19.2786 -18.7748 -18.7748 -18.5962 -18.5962 -10.1311 -10.1311 -8.9716 -8.9716 1.9849 1.9849 4.1715 4.1715 4.1938 4.1938 5.1576 5.1576 5.7493 5.7493 6.2068 6.2068 6.2420 6.2420 7.1625 7.1625 7.3968 7.3968 7.7576 7.7576 7.8707 7.8707 11.3734 11.3734 11.8522 11.8522 11.8535 11.8535 12.6702 12.6702 k = 0.1071 0.0298 0.0181 ( 2074 PWs) bands (ev): -40.3427 -40.3427 -19.2786 -19.2786 -18.7747 -18.7747 -18.5962 -18.5962 -10.1373 -10.1373 -8.9633 -8.9633 1.9572 1.9572 4.1631 4.1631 4.1855 4.1855 5.2060 5.2060 5.7465 5.7465 6.2408 6.2408 6.2754 6.2754 7.1612 7.1612 7.3966 7.3966 7.7260 7.7260 7.8409 7.8409 11.3239 11.3239 11.8533 11.8533 11.8546 11.8546 12.6873 12.6873 k = 0.0893 0.0249 0.0151 ( 2080 PWs) bands (ev): -40.3427 -40.3427 -19.2786 -19.2786 -18.7747 -18.7747 -18.5962 -18.5962 -10.1427 -10.1427 -8.9562 -8.9562 1.9337 1.9337 4.1560 4.1560 4.1785 4.1785 5.2480 5.2480 5.7439 5.7439 6.2713 6.2713 6.3054 6.3054 7.1599 7.1599 7.3964 7.3964 7.6975 7.6975 7.8142 7.8142 11.2811 11.2811 11.8543 11.8543 11.8555 11.8555 12.7023 12.7023 k = 0.0714 0.0199 0.0121 ( 2080 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7747 -18.7747 -18.5962 -18.5962 -10.1472 -10.1472 -8.9503 -8.9503 1.9144 1.9144 4.1501 4.1501 4.1727 4.1727 5.2830 5.2830 5.7417 5.7417 6.2976 6.2976 6.3311 6.3311 7.1587 7.1587 7.3963 7.3963 7.6729 7.6729 7.7913 7.7913 11.2455 11.2455 11.8551 11.8551 11.8563 11.8563 12.7149 12.7149 k = 0.0536 0.0149 0.0091 ( 2086 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7747 -18.7747 -18.5963 -18.5963 -10.1507 -10.1507 -8.9456 -8.9456 1.8993 1.8993 4.1454 4.1454 4.1680 4.1680 5.3108 5.3108 5.7397 5.7397 6.3190 6.3190 6.3519 6.3519 7.1576 7.1576 7.3961 7.3961 7.6527 7.6527 7.7726 7.7726 11.2174 11.2174 11.8558 11.8558 11.8569 11.8569 12.7250 12.7250 k = 0.0357 0.0099 0.0060 ( 2101 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7747 -18.7747 -18.5963 -18.5963 -10.1532 -10.1532 -8.9423 -8.9423 1.8885 1.8885 4.1420 4.1420 4.1647 4.1647 5.3309 5.3309 5.7383 5.7383 6.3348 6.3348 6.3673 6.3673 7.1567 7.1567 7.3960 7.3960 7.6377 7.6377 7.7588 7.7588 11.1971 11.1971 11.8562 11.8562 11.8574 11.8574 12.7323 12.7323 k = 0.0179 0.0050 0.0030 ( 2095 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7747 -18.7747 -18.5963 -18.5963 -10.1547 -10.1547 -8.9402 -8.9402 1.8820 1.8820 4.1401 4.1401 4.1628 4.1628 5.3431 5.3431 5.7373 5.7373 6.3445 6.3445 6.3768 6.3768 7.1562 7.1562 7.3960 7.3960 7.6286 7.6286 7.7504 7.7504 11.1848 11.1848 11.8565 11.8565 11.8576 11.8576 12.7368 12.7368 k = 0.0000 0.0000 0.0000 ( 2095 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7747 -18.7747 -18.5963 -18.5963 -10.1552 -10.1552 -8.9396 -8.9396 1.8799 1.8799 4.1395 4.1395 4.1622 4.1622 5.3471 5.3471 5.7370 5.7370 6.3477 6.3477 6.3799 6.3799 7.1560 7.1560 7.3959 7.3959 7.6255 7.6255 7.7476 7.7476 11.1807 11.1807 11.8566 11.8566 11.8577 11.8577 12.7383 12.7383 k = 0.0000 0.0000 0.0000 ( 2095 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7747 -18.7747 -18.5963 -18.5963 -10.1552 -10.1552 -8.9396 -8.9396 1.8799 1.8799 4.1395 4.1395 4.1622 4.1622 5.3471 5.3471 5.7370 5.7370 6.3477 6.3477 6.3799 6.3799 7.1560 7.1560 7.3959 7.3959 7.6255 7.6255 7.7476 7.7476 11.1807 11.1807 11.8566 11.8566 11.8577 11.8577 12.7383 12.7383 k = 0.0051-0.0085-0.0163 ( 2095 PWs) bands (ev): -40.3427 -40.3427 -19.2785 -19.2785 -18.7749 -18.7749 -18.5966 -18.5966 -10.1545 -10.1545 -8.9399 -8.9399 1.8807 1.8807 4.1387 4.1387 4.1615 4.1615 5.3489 5.3489 5.7357 5.7357 6.3472 6.3472 6.3793 6.3793 7.1562 7.1562 7.3961 7.3961 7.6257 7.6257 7.7477 7.7477 11.1818 11.1818 11.8567 11.8567 11.8585 11.8585 12.7384 12.7384 k = 0.0102-0.0169-0.0325 ( 2087 PWs) bands (ev): -40.3425 -40.3425 -19.2785 -19.2785 -18.7753 -18.7753 -18.5974 -18.5974 -10.1523 -10.1523 -8.9408 -8.9408 1.8833 1.8833 4.1359 4.1359 4.1601 4.1601 5.3542 5.3542 5.7318 5.7318 6.3455 6.3455 6.3775 6.3775 7.1566 7.1566 7.3965 7.3965 7.6263 7.6263 7.7483 7.7483 11.1851 11.1851 11.8560 11.8560 11.8616 11.8616 12.7386 12.7386 k = 0.0153-0.0254-0.0488 ( 2089 PWs) bands (ev): -40.3423 -40.3423 -19.2785 -19.2785 -18.7760 -18.7760 -18.5989 -18.5989 -10.1486 -10.1486 -8.9424 -8.9424 1.8876 1.8876 4.1297 4.1297 4.1594 4.1594 5.3627 5.3627 5.7251 5.7251 6.3427 6.3427 6.3747 6.3747 7.1572 7.1572 7.3970 7.3970 7.6272 7.6272 7.7491 7.7491 11.1905 11.1905 11.8547 11.8547 11.8671 11.8671 12.7391 12.7391 k = 0.0204-0.0338-0.0651 ( 2077 PWs) bands (ev): -40.3420 -40.3420 -19.2786 -19.2786 -18.7771 -18.7771 -18.6009 -18.6009 -10.1435 -10.1435 -8.9445 -8.9445 1.8935 1.8935 4.1197 4.1197 4.1602 4.1602 5.3743 5.3743 5.7155 5.7155 6.3385 6.3385 6.3714 6.3714 7.1581 7.1581 7.3979 7.3979 7.6286 7.6286 7.7502 7.7502 11.1981 11.1981 11.8529 11.8529 11.8746 11.8746 12.7398 12.7398 k = 0.0255-0.0423-0.0813 ( 2083 PWs) bands (ev): -40.3416 -40.3416 -19.2787 -19.2787 -18.7785 -18.7785 -18.6035 -18.6035 -10.1370 -10.1370 -8.9473 -8.9473 1.9011 1.9011 4.1059 4.1059 4.1623 4.1623 5.3885 5.3885 5.7029 5.7029 6.3328 6.3328 6.3680 6.3680 7.1592 7.1592 7.3990 7.3990 7.6303 7.6303 7.7516 7.7516 11.2078 11.2078 11.8506 11.8506 11.8842 11.8842 12.7406 12.7406 k = 0.0306-0.0507-0.0976 ( 2087 PWs) bands (ev): -40.3410 -40.3410 -19.2788 -19.2788 -18.7802 -18.7802 -18.6066 -18.6066 -10.1291 -10.1291 -8.9507 -8.9507 1.9104 1.9104 4.0891 4.0891 4.1656 4.1656 5.4051 5.4051 5.6871 5.6871 6.3252 6.3252 6.3652 6.3652 7.1604 7.1604 7.4004 7.4004 7.6324 7.6324 7.7534 7.7534 11.2194 11.2194 11.8479 11.8479 11.8956 11.8956 12.7415 12.7415 k = 0.0358-0.0592-0.1139 ( 2091 PWs) bands (ev): -40.3405 -40.3405 -19.2790 -19.2790 -18.7822 -18.7822 -18.6101 -18.6101 -10.1198 -10.1198 -8.9546 -8.9546 1.9213 1.9213 4.0701 4.0701 4.1699 4.1699 5.4234 5.4234 5.6679 5.6679 6.3154 6.3154 6.3638 6.3638 7.1617 7.1617 7.4021 7.4021 7.6349 7.6349 7.7555 7.7555 11.2330 11.2330 11.8450 11.8450 11.9088 11.9088 12.7426 12.7426 k = 0.0409-0.0676-0.1301 ( 2089 PWs) bands (ev): -40.3398 -40.3398 -19.2792 -19.2792 -18.7845 -18.7845 -18.6141 -18.6141 -10.1091 -10.1091 -8.9591 -8.9591 1.9338 1.9338 4.0492 4.0492 4.1749 4.1749 5.4432 5.4432 5.6452 5.6452 6.3035 6.3035 6.3641 6.3641 7.1632 7.1632 7.4042 7.4042 7.6378 7.6378 7.7580 7.7580 11.2484 11.2484 11.8419 11.8419 11.9235 11.9235 12.7437 12.7437 k = 0.0460-0.0761-0.1464 ( 2093 PWs) bands (ev): -40.3390 -40.3390 -19.2795 -19.2795 -18.7871 -18.7871 -18.6185 -18.6185 -10.0972 -10.0972 -8.9642 -8.9642 1.9478 1.9478 4.0269 4.0269 4.1805 4.1805 5.4639 5.4639 5.6191 5.6191 6.2895 6.2895 6.3663 6.3663 7.1647 7.1647 7.4067 7.4067 7.6411 7.6411 7.7608 7.7608 11.2657 11.2657 11.8387 11.8387 11.9396 11.9396 12.7449 12.7449 k = 0.0511-0.0846-0.1627 ( 2091 PWs) bands (ev): -40.3382 -40.3382 -19.2799 -19.2799 -18.7901 -18.7901 -18.6232 -18.6232 -10.0840 -10.0840 -8.9697 -8.9697 1.9634 1.9634 4.0036 4.0036 4.1868 4.1868 5.4850 5.4850 5.5895 5.5895 6.2735 6.2735 6.3706 6.3706 7.1663 7.1663 7.4095 7.4095 7.6447 7.6447 7.7641 7.7641 11.2846 11.2846 11.8355 11.8355 11.9569 11.9569 12.7461 12.7461 k = 0.0562-0.0930-0.1789 ( 2089 PWs) bands (ev): -40.3372 -40.3372 -19.2804 -19.2804 -18.7934 -18.7934 -18.6282 -18.6282 -10.0696 -10.0696 -8.9758 -8.9758 1.9804 1.9804 3.9796 3.9796 4.1936 4.1936 5.5061 5.5061 5.5567 5.5567 6.2557 6.2557 6.3771 6.3771 7.1679 7.1679 7.4129 7.4129 7.6488 7.6488 7.7677 7.7677 11.3051 11.3051 11.8325 11.8325 11.9752 11.9752 12.7473 12.7473 k = 0.0613-0.1015-0.1952 ( 2091 PWs) bands (ev): -40.3362 -40.3362 -19.2810 -19.2810 -18.7970 -18.7970 -18.6334 -18.6334 -10.0541 -10.0541 -8.9823 -8.9823 1.9989 1.9989 3.9552 3.9552 4.2008 4.2008 5.5160 5.5160 5.5315 5.5315 6.2361 6.2361 6.3859 6.3859 7.1694 7.1694 7.4168 7.4168 7.6533 7.6533 7.7718 7.7718 11.3271 11.3271 11.8297 11.8297 11.9943 11.9943 12.7484 12.7484 k = 0.0664-0.1099-0.2115 ( 2093 PWs) bands (ev): -40.3352 -40.3352 -19.2818 -19.2818 -18.8010 -18.8010 -18.6389 -18.6389 -10.0375 -10.0375 -8.9893 -8.9893 2.0187 2.0187 3.9306 3.9306 4.2083 4.2083 5.4794 5.4794 5.5493 5.5493 6.2149 6.2149 6.3969 6.3969 7.1709 7.1709 7.4212 7.4212 7.6581 7.6581 7.7763 7.7763 11.3506 11.3506 11.8272 11.8272 12.0140 12.0140 12.7494 12.7494 k = 0.0715-0.1184-0.2277 ( 2097 PWs) bands (ev): -40.3340 -40.3340 -19.2828 -19.2828 -18.8052 -18.8052 -18.6445 -18.6445 -10.0198 -10.0198 -8.9967 -8.9967 2.0397 2.0397 3.9062 3.9062 4.2162 4.2162 5.4374 5.4374 5.5689 5.5689 6.1922 6.1922 6.4101 6.4101 7.1722 7.1722 7.4262 7.4262 7.6633 7.6633 7.7812 7.7812 11.3754 11.3754 11.8252 11.8252 12.0339 12.0339 12.7503 12.7503 k = 0.0766-0.1268-0.2440 ( 2097 PWs) bands (ev): -40.3328 -40.3328 -19.2840 -19.2840 -18.8098 -18.8098 -18.6501 -18.6501 -10.0012 -10.0012 -9.0045 -9.0045 2.0621 2.0621 3.8821 3.8821 4.2243 4.2243 5.3929 5.3929 5.5874 5.5874 6.1679 6.1679 6.4256 6.4256 7.1734 7.1734 7.4319 7.4319 7.6688 7.6688 7.7867 7.7867 11.4015 11.4015 11.8237 11.8237 12.0540 12.0540 12.7510 12.7510 k = 0.0817-0.1353-0.2603 ( 2097 PWs) bands (ev): -40.3315 -40.3315 -19.2853 -19.2853 -18.8146 -18.8146 -18.6559 -18.6559 -9.9817 -9.9817 -9.0126 -9.0126 2.0856 2.0856 3.8587 3.8587 4.2325 4.2325 5.3462 5.3462 5.6047 5.6047 6.1422 6.1422 6.4431 6.4431 7.1744 7.1744 7.4382 7.4382 7.6747 7.6747 7.7926 7.7926 11.4288 11.4288 11.8229 11.8229 12.0741 12.0741 12.7514 12.7514 k = 0.0868-0.1437-0.2765 ( 2095 PWs) bands (ev): -40.3302 -40.3302 -19.2869 -19.2869 -18.8197 -18.8197 -18.6616 -18.6616 -9.9614 -9.9614 -9.0210 -9.0210 2.1102 2.1102 3.8359 3.8359 4.2408 4.2408 5.2977 5.2977 5.6204 5.6204 6.1151 6.1151 6.4626 6.4626 7.1753 7.1753 7.4453 7.4453 7.6809 7.6809 7.7990 7.7990 11.4571 11.4571 11.8228 11.8228 12.0938 12.0938 12.7516 12.7516 k = 0.0919-0.1522-0.2928 ( 2097 PWs) bands (ev): -40.3288 -40.3288 -19.2888 -19.2888 -18.8250 -18.8250 -18.6673 -18.6673 -9.9403 -9.9403 -9.0298 -9.0298 2.1358 2.1358 3.8140 3.8140 4.2490 4.2490 5.2479 5.2479 5.6344 5.6344 6.0868 6.0868 6.4841 6.4841 7.1760 7.1760 7.4532 7.4532 7.6873 7.6873 7.8059 7.8059 11.4864 11.4864 11.8236 11.8236 12.1129 12.1129 12.7516 12.7516 k = 0.0970-0.1607-0.3091 ( 2097 PWs) bands (ev): -40.3274 -40.3274 -19.2909 -19.2909 -18.8304 -18.8304 -18.6730 -18.6730 -9.9185 -9.9185 -9.0387 -9.0387 2.1624 2.1624 3.7931 3.7931 4.2569 4.2569 5.1972 5.1972 5.6466 5.6466 6.0572 6.0572 6.5074 6.5074 7.1764 7.1764 7.4619 7.4619 7.6939 7.6939 7.8133 7.8133 11.5166 11.5166 11.8252 11.8252 12.1314 12.1314 12.7513 12.7513 k = 0.1021-0.1691-0.3254 ( 2095 PWs) bands (ev): -40.3259 -40.3259 -19.2933 -19.2933 -18.8360 -18.8360 -18.6786 -18.6786 -9.8961 -9.8961 -9.0479 -9.0479 2.1898 2.1898 3.7732 3.7732 4.2644 4.2644 5.1458 5.1458 5.6569 5.6569 6.0265 6.0265 6.5323 6.5323 7.1768 7.1768 7.4714 7.4714 7.7007 7.7007 7.8212 7.8212 11.5475 11.5475 11.8277 11.8277 12.1490 12.1490 12.7508 12.7508 k = 0.1073-0.1776-0.3416 ( 2097 PWs) bands (ev): -40.3244 -40.3244 -19.2961 -19.2961 -18.8417 -18.8417 -18.6842 -18.6842 -9.8733 -9.8733 -9.0572 -9.0572 2.2181 2.2181 3.7546 3.7546 4.2715 4.2715 5.0943 5.0943 5.6651 5.6651 5.9947 5.9947 6.5588 6.5588 7.1769 7.1769 7.4817 7.4817 7.7077 7.7077 7.8295 7.8295 11.5792 11.5792 11.8312 11.8312 12.1654 12.1654 12.7501 12.7501 k = 0.1124-0.1860-0.3579 ( 2099 PWs) bands (ev): -40.3228 -40.3228 -19.2991 -19.2991 -18.8474 -18.8474 -18.6897 -18.6897 -9.8499 -9.8499 -9.0667 -9.0667 2.2470 2.2470 3.7371 3.7371 4.2778 4.2778 5.0429 5.0429 5.6712 5.6712 5.9619 5.9619 6.5868 6.5868 7.1769 7.1769 7.4930 7.4930 7.7148 7.7148 7.8383 7.8383 11.6114 11.6114 11.8356 11.8356 12.1804 12.1804 12.7494 12.7494 k = 0.1175-0.1945-0.3742 ( 2101 PWs) bands (ev): -40.3212 -40.3212 -19.3026 -19.3026 -18.8532 -18.8532 -18.6950 -18.6950 -9.8262 -9.8262 -9.0763 -9.0763 2.2765 2.2765 3.7210 3.7210 4.2832 4.2832 4.9921 4.9921 5.6752 5.6752 5.9282 5.9282 6.6161 6.6161 7.1768 7.1768 7.5052 7.5052 7.7220 7.7220 7.8475 7.8475 11.6440 11.6440 11.8411 11.8411 12.1939 12.1939 12.7487 12.7487 k = 0.1226-0.2029-0.3904 ( 2103 PWs) bands (ev): -40.3196 -40.3196 -19.3063 -19.3063 -18.8589 -18.8589 -18.7003 -18.7003 -9.8023 -9.8023 -9.0859 -9.0859 2.3066 2.3066 3.7063 3.7063 4.2875 4.2875 4.9423 4.9423 5.6771 5.6771 5.8938 5.8938 6.6465 6.6465 7.1767 7.1767 7.5183 7.5183 7.7292 7.7292 7.8571 7.8571 11.6769 11.6769 11.8476 11.8476 12.2056 12.2056 12.7483 12.7483 k = 0.1277-0.2114-0.4067 ( 2103 PWs) bands (ev): -40.3179 -40.3179 -19.3103 -19.3103 -18.8645 -18.8645 -18.7055 -18.7055 -9.7781 -9.7781 -9.0955 -9.0955 2.3371 2.3371 3.6930 3.6930 4.2904 4.2904 4.8939 4.8939 5.6769 5.6769 5.8587 5.8587 6.6780 6.6780 7.1765 7.1765 7.5324 7.5324 7.7365 7.7365 7.8671 7.8671 11.7100 11.7100 11.8551 11.8551 12.2152 12.2152 12.7484 12.7484 k = 0.1328-0.2198-0.4230 ( 2101 PWs) bands (ev): -40.3162 -40.3162 -19.3147 -19.3147 -18.8700 -18.8700 -18.7106 -18.7106 -9.7538 -9.7538 -9.1050 -9.1050 2.3680 2.3680 3.6811 3.6811 4.2915 4.2915 4.8474 4.8474 5.6746 5.6746 5.8231 5.8231 6.7103 6.7103 7.1764 7.1764 7.5475 7.5475 7.7439 7.7439 7.8773 7.8773 11.7430 11.7430 11.8636 11.8636 12.2224 12.2224 12.7493 12.7493 k = 0.1379-0.2283-0.4392 ( 2107 PWs) bands (ev): -40.3145 -40.3145 -19.3194 -19.3194 -18.8754 -18.8754 -18.7156 -18.7156 -9.7294 -9.7294 -9.1145 -9.1145 2.3991 2.3991 3.6707 3.6707 4.2906 4.2906 4.8033 4.8033 5.6702 5.6702 5.7871 5.7871 6.7432 6.7432 7.1763 7.1763 7.5636 7.5636 7.7512 7.7512 7.8877 7.8877 11.7759 11.7759 11.8730 11.8730 12.2270 12.2270 12.7512 12.7512 k = 0.1430-0.2368-0.4555 ( 2113 PWs) bands (ev): -40.3128 -40.3128 -19.3245 -19.3245 -18.8805 -18.8805 -18.7206 -18.7206 -9.7051 -9.7051 -9.1239 -9.1239 2.4303 2.4303 3.6617 3.6617 4.2872 4.2872 4.7620 4.7620 5.6635 5.6635 5.7509 5.7509 6.7767 6.7767 7.1763 7.1763 7.5807 7.5807 7.7586 7.7586 7.8983 7.8983 11.8085 11.8085 11.8834 11.8834 12.2287 12.2287 12.7547 12.7547 k = 0.1481-0.2452-0.4718 ( 2113 PWs) bands (ev): -40.3111 -40.3111 -19.3297 -19.3297 -18.8855 -18.8855 -18.7254 -18.7254 -9.6809 -9.6809 -9.1331 -9.1331 2.4617 2.4617 3.6542 3.6542 4.2812 4.2812 4.7240 4.7240 5.6542 5.6542 5.7153 5.7153 6.8105 6.8105 7.1767 7.1767 7.5989 7.5989 7.7660 7.7660 7.9091 7.9091 11.8407 11.8407 11.8947 11.8947 12.2273 12.2273 12.7598 12.7598 k = 0.1532-0.2537-0.4880 ( 2109 PWs) bands (ev): -40.3094 -40.3094 -19.3352 -19.3352 -18.8902 -18.8902 -18.7301 -18.7301 -9.6570 -9.6570 -9.1421 -9.1421 2.4930 2.4930 3.6482 3.6482 4.2721 4.2721 4.6897 4.6897 5.6409 5.6409 5.6817 5.6817 6.8442 6.8442 7.1774 7.1774 7.6183 7.6183 7.7734 7.7734 7.9201 7.9201 11.8721 11.8721 11.9069 11.9069 12.2225 12.2225 12.7671 12.7671 k = 0.1583-0.2621-0.5043 ( 2113 PWs) bands (ev): -40.3077 -40.3077 -19.3409 -19.3409 -18.8948 -18.8948 -18.7348 -18.7348 -9.6333 -9.6333 -9.1508 -9.1508 2.5242 2.5242 3.6436 3.6436 4.2597 4.2597 4.6593 4.6593 5.6198 5.6198 5.6542 5.6542 6.8777 6.8777 7.1786 7.1786 7.6386 7.6386 7.7809 7.7809 7.9310 7.9310 11.9024 11.9024 11.9204 11.9204 12.2144 12.2144 12.7766 12.7766 k = 0.1634-0.2706-0.5206 ( 2115 PWs) bands (ev): -40.3060 -40.3060 -19.3467 -19.3467 -18.8992 -18.8992 -18.7394 -18.7394 -9.6099 -9.6099 -9.1593 -9.1593 2.5552 2.5552 3.6404 3.6404 4.2443 4.2443 4.6328 4.6328 5.5892 5.5892 5.6347 5.6347 6.9106 6.9106 7.1804 7.1804 7.6600 7.6600 7.7885 7.7885 7.9420 7.9420 11.9285 11.9285 11.9379 11.9379 12.2030 12.2030 12.7886 12.7886 k = 0.1685-0.2790-0.5368 ( 2115 PWs) bands (ev): -40.3043 -40.3043 -19.3527 -19.3527 -18.9033 -18.9033 -18.7440 -18.7440 -9.5870 -9.5870 -9.1674 -9.1674 2.5859 2.5859 3.6387 3.6387 4.2261 4.2261 4.6101 4.6101 5.5542 5.5542 5.6182 5.6182 6.9425 6.9425 7.1830 7.1830 7.6824 7.6824 7.7963 7.7963 7.9530 7.9530 11.9455 11.9455 11.9641 11.9641 12.1885 12.1885 12.8030 12.8030 k = 0.1736-0.2875-0.5531 ( 2119 PWs) bands (ev): -40.3026 -40.3026 -19.3587 -19.3587 -18.9073 -18.9073 -18.7484 -18.7484 -9.5646 -9.5646 -9.1752 -9.1752 2.6163 2.6163 3.6382 3.6382 4.2054 4.2054 4.5907 4.5907 5.5179 5.5179 5.6020 5.6020 6.9730 6.9730 7.1868 7.1868 7.7054 7.7054 7.8046 7.8046 7.9642 7.9642 11.9609 11.9609 11.9911 11.9911 12.1714 12.1714 12.8199 12.8199 k = 0.1788-0.2959-0.5694 ( 2117 PWs) bands (ev): -40.3010 -40.3010 -19.3647 -19.3647 -18.9111 -18.9111 -18.7527 -18.7527 -9.5427 -9.5427 -9.1826 -9.1826 2.6462 2.6462 3.6390 3.6390 4.1830 4.1830 4.5740 4.5740 5.4813 5.4813 5.5852 5.5852 7.0015 7.0015 7.1920 7.1920 7.7287 7.7287 7.8137 7.8137 7.9755 7.9755 11.9765 11.9765 12.0163 12.0163 12.1525 12.1525 12.8391 12.8391 k = 0.1839-0.3044-0.5856 ( 2117 PWs) bands (ev): -40.2993 -40.2993 -19.3708 -19.3708 -18.9148 -18.9148 -18.7570 -18.7570 -9.5215 -9.5215 -9.1895 -9.1895 2.6756 2.6756 3.6410 3.6410 4.1596 4.1596 4.5594 4.5594 5.4447 5.4447 5.5676 5.5676 7.0276 7.0276 7.1991 7.1991 7.7514 7.7514 7.8243 7.8243 7.9870 7.9870 11.9924 11.9924 12.0373 12.0373 12.1344 12.1344 12.8605 12.8605 k = 0.1890-0.3129-0.6019 ( 2115 PWs) bands (ev): -40.2977 -40.2977 -19.3767 -19.3767 -18.9184 -18.9184 -18.7611 -18.7611 -9.5010 -9.5010 -9.1960 -9.1960 2.7045 2.7045 3.6443 3.6443 4.1358 4.1358 4.5463 4.5463 5.4086 5.4086 5.5492 5.5492 7.0506 7.0506 7.2084 7.2084 7.7721 7.7721 7.8376 7.8376 7.9990 7.9990 12.0086 12.0086 12.0480 12.0480 12.1237 12.1237 12.8837 12.8837 k = 0.1941-0.3213-0.6182 ( 2117 PWs) bands (ev): -40.2962 -40.2962 -19.3826 -19.3826 -18.9218 -18.9218 -18.7652 -18.7652 -9.4812 -9.4812 -9.2020 -9.2020 2.7327 2.7327 3.6486 3.6486 4.1123 4.1123 4.5341 4.5341 5.3728 5.3728 5.5302 5.5302 7.0701 7.0701 7.2202 7.2202 7.7893 7.7893 7.8548 7.8548 8.0116 8.0116 12.0237 12.0237 12.0412 12.0412 12.1293 12.1293 12.9087 12.9087 k = 0.1992-0.3298-0.6344 ( 2111 PWs) bands (ev): -40.2946 -40.2946 -19.3882 -19.3882 -18.9252 -18.9252 -18.7691 -18.7691 -9.4623 -9.4623 -9.2074 -9.2074 2.7602 2.7602 3.6540 3.6540 4.0894 4.0894 4.5224 4.5224 5.3378 5.3378 5.5105 5.5105 7.0861 7.0861 7.2344 7.2344 7.8024 7.8024 7.8759 7.8759 8.0255 8.0255 12.0143 12.0143 12.0451 12.0451 12.1466 12.1466 12.9351 12.9351 k = 0.2043-0.3382-0.6507 ( 2109 PWs) bands (ev): -40.2931 -40.2931 -19.3937 -19.3937 -18.9286 -18.9286 -18.7729 -18.7729 -9.4442 -9.4442 -9.2124 -9.2124 2.7870 2.7870 3.6603 3.6603 4.0677 4.0677 4.5107 4.5107 5.3035 5.3035 5.4903 5.4903 7.0990 7.0990 7.2505 7.2505 7.8122 7.8122 7.8993 7.8993 8.0410 8.0410 11.9864 11.9865 12.0618 12.0618 12.1681 12.1681 12.9627 12.9627 k = 0.2094-0.3467-0.6670 ( 2113 PWs) bands (ev): -40.2917 -40.2917 -19.3990 -19.3990 -18.9320 -18.9320 -18.7766 -18.7766 -9.4271 -9.4271 -9.2168 -9.2168 2.8130 2.8130 3.6674 3.6674 4.0474 4.0474 4.4988 4.4988 5.2700 5.2700 5.4697 5.4697 7.1093 7.1093 7.2680 7.2680 7.8198 7.8198 7.9228 7.9228 8.0591 8.0591 11.9552 11.9552 12.0795 12.0795 12.1910 12.1910 12.9911 12.9911 k = 0.2145-0.3551-0.6832 ( 2113 PWs) bands (ev): -40.2903 -40.2903 -19.4039 -19.4039 -18.9354 -18.9354 -18.7801 -18.7801 -9.4109 -9.4109 -9.2205 -9.2205 2.8382 2.8382 3.6754 3.6754 4.0289 4.0289 4.4865 4.4865 5.2375 5.2375 5.4488 5.4488 7.1177 7.1177 7.2861 7.2861 7.8259 7.8259 7.9448 7.9448 8.0806 8.0806 11.9224 11.9224 12.0976 12.0976 12.2143 12.2143 13.0203 13.0203 k = 0.2196-0.3636-0.6995 ( 2115 PWs) bands (ev): -40.2890 -40.2890 -19.4086 -19.4086 -18.9388 -18.9388 -18.7835 -18.7835 -9.3957 -9.3957 -9.2237 -9.2237 2.8626 2.8626 3.6839 3.6839 4.0122 4.0122 4.4734 4.4734 5.2060 5.2060 5.4277 5.4277 7.1248 7.1248 7.3042 7.3042 7.8311 7.8311 7.9640 7.9640 8.1060 8.1060 11.8889 11.8889 12.1159 12.1159 12.2379 12.2379 13.0499 13.0499 k = 0.2247-0.3720-0.7158 ( 2119 PWs) bands (ev): -40.2877 -40.2877 -19.4129 -19.4129 -18.9423 -18.9423 -18.7868 -18.7868 -9.3817 -9.3817 -9.2263 -9.2263 2.8861 2.8861 3.6931 3.6931 3.9975 3.9975 4.4596 4.4596 5.1756 5.1756 5.4065 5.4065 7.1311 7.1311 7.3218 7.3218 7.8353 7.8353 7.9800 7.9800 8.1351 8.1351 11.8553 11.8553 12.1345 12.1345 12.2616 12.2616 13.0799 13.0799 k = 0.2298-0.3805-0.7320 ( 2125 PWs) bands (ev): -40.2864 -40.2864 -19.4169 -19.4169 -18.9458 -18.9458 -18.7899 -18.7899 -9.3687 -9.3687 -9.2282 -9.2282 2.9087 2.9087 3.7026 3.7026 3.9850 3.9850 4.4449 4.4449 5.1465 5.1465 5.3853 5.3853 7.1368 7.1368 7.3387 7.3387 7.8389 7.8389 7.9932 7.9932 8.1672 8.1672 11.8222 11.8222 12.1531 12.1531 12.2853 12.2853 13.1101 13.1101 k = 0.2349-0.3890-0.7483 ( 2129 PWs) bands (ev): -40.2852 -40.2852 -19.4206 -19.4206 -18.9494 -18.9494 -18.7928 -18.7928 -9.3568 -9.3568 -9.2295 -9.2295 2.9304 2.9304 3.7126 3.7126 3.9748 3.9748 4.4292 4.4292 5.1186 5.1186 5.3642 5.3642 7.1422 7.1422 7.3546 7.3546 7.8418 7.8418 8.0040 8.0040 8.2013 8.2013 11.7899 11.7899 12.1720 12.1720 12.3089 12.3089 13.1404 13.1404 k = 0.2400-0.3974-0.7646 ( 2127 PWs) bands (ev): -40.2841 -40.2841 -19.4238 -19.4238 -18.9530 -18.9530 -18.7956 -18.7956 -9.3461 -9.3461 -9.2301 -9.2301 2.9513 2.9513 3.7228 3.7228 3.9669 3.9669 4.4126 4.4126 5.0921 5.0921 5.3434 5.3434 7.1476 7.1476 7.3695 7.3695 7.8441 7.8441 8.0129 8.0129 8.2367 8.2367 11.7588 11.7588 12.1909 12.1909 12.3324 12.3324 13.1708 13.1708 k = 0.2451-0.4059-0.7808 ( 2127 PWs) bands (ev): -40.2830 -40.2830 -19.4267 -19.4267 -18.9567 -18.9567 -18.7982 -18.7982 -9.3365 -9.3365 -9.2301 -9.2301 2.9712 2.9712 3.7331 3.7331 3.9613 3.9613 4.3949 4.3949 5.0671 5.0671 5.3230 5.3230 7.1529 7.1529 7.3833 7.3833 7.8458 7.8458 8.0204 8.0204 8.2724 8.2724 11.7295 11.7295 12.2099 12.2099 12.3556 12.3556 13.2014 13.2014 k = 0.2503-0.4143-0.7971 ( 2121 PWs) bands (ev): -40.2820 -40.2820 -19.4291 -19.4291 -18.9604 -18.9604 -18.8006 -18.8006 -9.3281 -9.3281 -9.2294 -9.2294 2.9902 2.9902 3.7435 3.7435 3.9581 3.9581 4.3762 4.3762 5.0434 5.0434 5.3031 5.3031 7.1583 7.1583 7.3959 7.3959 7.8469 7.8469 8.0268 8.0268 8.3080 8.3080 11.7021 11.7021 12.2289 12.2289 12.3785 12.3785 13.2323 13.2323 k = 0.2554-0.4228-0.8134 ( 2119 PWs) bands (ev): -40.2811 -40.2811 -19.4312 -19.4312 -18.9641 -18.9641 -18.8029 -18.8029 -9.3209 -9.3209 -9.2280 -9.2280 3.0083 3.0083 3.7537 3.7537 3.9572 3.9572 4.3565 4.3565 5.0212 5.0212 5.2838 5.2838 7.1639 7.1639 7.4073 7.4073 7.8474 7.8474 8.0321 8.0321 8.3427 8.3427 11.6771 11.6771 12.2479 12.2479 12.4006 12.4006 13.2638 13.2638 k = 0.2605-0.4312-0.8296 ( 2115 PWs) bands (ev): -40.2802 -40.2802 -19.4329 -19.4329 -18.9678 -18.9678 -18.8050 -18.8050 -9.3149 -9.3149 -9.2259 -9.2259 3.0254 3.0254 3.7639 3.7639 3.9587 3.9587 4.3359 4.3359 5.0003 5.0003 5.2653 5.2653 7.1696 7.1696 7.4175 7.4175 7.8472 7.8472 8.0365 8.0365 8.3762 8.3762 11.6548 11.6548 12.2670 12.2670 12.4219 12.4219 13.2960 13.2960 k = 0.2656-0.4397-0.8459 ( 2119 PWs) bands (ev): -40.2794 -40.2794 -19.4342 -19.4342 -18.9715 -18.9715 -18.8069 -18.8069 -9.3101 -9.3101 -9.2233 -9.2233 3.0415 3.0415 3.7737 3.7737 3.9626 3.9626 4.3143 4.3143 4.9807 4.9807 5.2477 5.2477 7.1755 7.1755 7.4265 7.4265 7.8464 7.8464 8.0403 8.0403 8.4080 8.4080 11.6354 11.6354 12.2859 12.2859 12.4419 12.4419 13.3294 13.3294 k = 0.2707-0.4481-0.8622 ( 2123 PWs) bands (ev): -40.2786 -40.2786 -19.4353 -19.4353 -18.9752 -18.9752 -18.8088 -18.8088 -9.3064 -9.3064 -9.2201 -9.2201 3.0564 3.0564 3.7832 3.7832 3.9687 3.9687 4.2920 4.2920 4.9625 4.9625 5.2311 5.2311 7.1815 7.1815 7.4343 7.4343 7.8450 7.8450 8.0433 8.0433 8.4378 8.4378 11.6192 11.6192 12.3049 12.3049 12.4604 12.4604 13.3642 13.3642 k = 0.2758-0.4566-0.8784 ( 2119 PWs) bands (ev): -40.2779 -40.2779 -19.4359 -19.4359 -18.9787 -18.9787 -18.8104 -18.8104 -9.3039 -9.3039 -9.2162 -9.2162 3.0703 3.0703 3.7923 3.7923 3.9773 3.9773 4.2690 4.2690 4.9455 4.9455 5.2159 5.2159 7.1877 7.1877 7.4411 7.4411 7.8430 7.8430 8.0456 8.0456 8.4654 8.4654 11.6063 11.6063 12.3237 12.3237 12.4769 12.4769 13.4010 13.4010 k = 0.2809-0.4651-0.8947 ( 2119 PWs) bands (ev): -40.2773 -40.2773 -19.4364 -19.4364 -18.9822 -18.9822 -18.8120 -18.8120 -9.3026 -9.3026 -9.2116 -9.2116 3.0829 3.0829 3.8010 3.8010 3.9881 3.9881 4.2455 4.2455 4.9295 4.9295 5.2020 5.2020 7.1940 7.1940 7.4467 7.4467 7.8404 7.8404 8.0474 8.0474 8.4905 8.4905 11.5970 11.5970 12.3424 12.3424 12.4911 12.4911 13.4402 13.4402 k = 0.2860-0.4735-0.9110 ( 2119 PWs) bands (ev): -40.2768 -40.2768 -19.4365 -19.4365 -18.9855 -18.9855 -18.8134 -18.8134 -9.3025 -9.3025 -9.2066 -9.2066 3.0941 3.0941 3.8093 3.8093 4.0011 4.0011 4.2217 4.2217 4.9143 4.9143 5.1896 5.1896 7.2004 7.2004 7.4513 7.4513 7.8372 7.8372 8.0485 8.0485 8.5131 8.5131 11.5912 11.5912 12.3610 12.3610 12.5028 12.5028 13.4821 13.4821 k = 0.2911-0.4820-0.9273 ( 2119 PWs) bands (ev): -40.2763 -40.2763 -19.4365 -19.4365 -18.9886 -18.9886 -18.8146 -18.8146 -9.3034 -9.3034 -9.2009 -9.2009 3.1039 3.1039 3.8171 3.8171 4.0162 4.0162 4.1978 4.1978 4.8999 4.8999 5.1790 5.1790 7.2067 7.2067 7.4549 7.4549 7.8334 7.8334 8.0491 8.0491 8.5329 8.5329 11.5890 11.5890 12.3795 12.3795 12.5115 12.5115 13.5271 13.5271 k = 0.2962-0.4904-0.9435 ( 2113 PWs) bands (ev): -40.2758 -40.2758 -19.4363 -19.4363 -18.9914 -18.9914 -18.8158 -18.8158 -9.3055 -9.3055 -9.1947 -9.1947 3.1122 3.1122 3.8244 3.8244 4.0329 4.0329 4.1746 4.1746 4.8861 4.8861 5.1703 5.1703 7.2130 7.2130 7.4576 7.4576 7.8291 7.8291 8.0492 8.0492 8.5501 8.5501 11.5904 11.5904 12.3978 12.3978 12.5172 12.5172 13.5755 13.5755 k = 0.3013-0.4989-0.9598 ( 2117 PWs) bands (ev): -40.2755 -40.2755 -19.4359 -19.4359 -18.9941 -18.9941 -18.8168 -18.8168 -9.3086 -9.3086 -9.1880 -9.1880 3.1187 3.1187 3.8314 3.8314 4.0499 4.0499 4.1534 4.1534 4.8726 4.8726 5.1634 5.1634 7.2190 7.2190 7.4595 7.4595 7.8242 7.8242 8.0487 8.0487 8.5646 8.5646 11.5951 11.5951 12.4160 12.4160 12.5197 12.5197 13.6273 13.6273 k = 0.3064-0.5073-0.9761 ( 2117 PWs) bands (ev): -40.2752 -40.2752 -19.4355 -19.4355 -18.9964 -18.9964 -18.8177 -18.8177 -9.3128 -9.3128 -9.1808 -9.1808 3.1234 3.1234 3.8379 3.8379 4.0632 4.0632 4.1384 4.1384 4.8593 4.8593 5.1586 5.1586 7.2247 7.2247 7.4608 7.4608 7.8187 7.8187 8.0476 8.0476 8.5766 8.5766 11.6030 11.6030 12.4339 12.4339 12.5191 12.5191 13.6826 13.6826 k = 0.3115-0.5158-0.9923 ( 2117 PWs) bands (ev): -40.2749 -40.2749 -19.4350 -19.4350 -18.9983 -18.9983 -18.8184 -18.8184 -9.3179 -9.3179 -9.1731 -9.1731 3.1263 3.1263 3.8441 3.8441 4.0635 4.0635 4.1390 4.1390 4.8462 4.8462 5.1557 5.1557 7.2298 7.2298 7.4615 7.4615 7.8128 7.8128 8.0460 8.0460 8.5860 8.5860 11.6139 11.6139 12.4515 12.4515 12.5156 12.5156 13.7411 13.7411 k = 0.3166-0.5242-1.0086 ( 2119 PWs) bands (ev): -40.2747 -40.2747 -19.4346 -19.4346 -18.9999 -18.9999 -18.8190 -18.8190 -9.3240 -9.3240 -9.1650 -9.1650 3.1270 3.1270 3.8501 3.8501 4.0494 4.0494 4.1569 4.1569 4.8331 4.8331 5.1547 5.1547 7.2342 7.2342 7.4619 7.4619 7.8064 7.8064 8.0439 8.0439 8.5932 8.5932 11.6274 11.6274 12.4685 12.4685 12.5096 12.5096 13.8023 13.8023 k = 0.3218-0.5327-1.0249 ( 2119 PWs) bands (ev): -40.2746 -40.2746 -19.4342 -19.4342 -19.0011 -19.0011 -18.8195 -18.8195 -9.3311 -9.3311 -9.1564 -9.1564 3.1257 3.1257 3.8559 3.8559 4.0290 4.0290 4.1840 4.1840 4.8200 4.8200 5.1556 5.1556 7.2376 7.2376 7.4623 7.4623 7.7996 7.7996 8.0413 8.0413 8.5983 8.5983 11.6433 11.6433 12.4825 12.4825 12.5038 12.5038 13.8523 13.8523 k = 0.3269-0.5412-1.0411 ( 2119 PWs) bands (ev): -40.2745 -40.2745 -19.4339 -19.4339 -19.0018 -19.0018 -18.8198 -18.8198 -9.3389 -9.3389 -9.1475 -9.1475 3.1221 3.1221 3.8617 3.8617 4.0069 4.0069 4.2158 4.2158 4.8068 4.8068 5.1582 5.1582 7.2397 7.2397 7.4629 7.4629 7.7925 7.7925 8.0382 8.0382 8.6014 8.6014 11.6611 11.6611 12.4821 12.4821 12.5100 12.5100 13.7879 13.7880 k = 0.3320-0.5496-1.0574 ( 2123 PWs) bands (ev): -40.2744 -40.2744 -19.4338 -19.4338 -19.0022 -19.0022 -18.8200 -18.8200 -9.3476 -9.3476 -9.1382 -9.1382 3.1164 3.1164 3.8673 3.8673 3.9845 3.9845 4.2511 4.2511 4.7935 4.7935 5.1623 5.1623 7.2403 7.2403 7.4639 7.4639 7.7850 7.7850 8.0346 8.0346 8.6029 8.6029 11.6804 11.6804 12.4704 12.4704 12.5254 12.5254 13.7130 13.7130 k = 0.3371-0.5581-1.0737 ( 2123 PWs) bands (ev): -40.2745 -40.2745 -19.4338 -19.4338 -19.0021 -19.0021 -18.8199 -18.8199 -9.3571 -9.3571 -9.1287 -9.1287 3.1084 3.1084 3.8730 3.8730 3.9624 3.9624 4.2893 4.2893 4.7802 4.7802 5.1678 5.1678 7.2391 7.2391 7.4656 7.4656 7.7773 7.7773 8.0305 8.0305 8.6030 8.6030 11.7007 11.7007 12.4558 12.4558 12.5422 12.5422 13.6371 13.6371 k = 0.3422-0.5665-1.0899 ( 2119 PWs) bands (ev): -40.2745 -40.2745 -19.4340 -19.4340 -19.0015 -19.0015 -18.8197 -18.8197 -9.3672 -9.3672 -9.1188 -9.1188 3.0983 3.0983 3.8789 3.8789 3.9410 3.9410 4.3300 4.3300 4.7669 4.7669 5.1743 5.1743 7.2359 7.2359 7.4682 7.4682 7.7694 7.7694 8.0260 8.0260 8.6018 8.6018 11.7215 11.7215 12.4398 12.4398 12.5593 12.5593 13.5610 13.5610 k = 0.6578-0.4272-1.0053 ( 2119 PWs) bands (ev): -40.2745 -40.2745 -19.4340 -19.4340 -19.0015 -19.0015 -18.8197 -18.8197 -9.3672 -9.3672 -9.1188 -9.1188 3.0983 3.0983 3.8789 3.8789 3.9410 3.9410 4.3300 4.3300 4.7669 4.7669 5.1743 5.1743 7.2359 7.2359 7.4682 7.4682 7.7694 7.7694 8.0260 8.0260 8.6018 8.6018 11.7215 11.7215 12.4398 12.4398 12.5593 12.5593 13.5610 13.5610 k = 0.6527-0.4090-1.0053 ( 2123 PWs) bands (ev): -40.2746 -40.2746 -19.4345 -19.4345 -19.0005 -19.0005 -18.8193 -18.8193 -9.3779 -9.3779 -9.1087 -9.1087 3.0860 3.0860 3.8847 3.8847 3.9208 3.9208 4.3728 4.3728 4.7537 4.7537 5.1818 5.1818 7.2306 7.2306 7.4719 7.4719 7.7614 7.7614 8.0210 8.0210 8.5996 8.5996 11.7421 11.7421 12.4234 12.4234 12.5764 12.5764 13.4855 13.4855 k = 0.6476-0.3907-1.0053 ( 2119 PWs) bands (ev): -40.2747 -40.2747 -19.4352 -19.4352 -18.9992 -18.9992 -18.8186 -18.8186 -9.3892 -9.3892 -9.0985 -9.0985 3.0717 3.0717 3.8889 3.8889 3.9034 3.9034 4.4178 4.4178 4.7405 4.7405 5.1900 5.1900 7.2231 7.2231 7.4768 7.4768 7.7533 7.7533 8.0156 8.0156 8.5966 8.5966 11.7620 11.7620 12.4071 12.4071 12.5935 12.5935 13.4107 13.4107 k = 0.6425-0.3724-1.0053 ( 2125 PWs) bands (ev): -40.2749 -40.2749 -19.4361 -19.4361 -18.9975 -18.9975 -18.8177 -18.8177 -9.4010 -9.4010 -9.0881 -9.0881 3.0555 3.0555 3.8792 3.8792 3.9013 3.9013 4.4648 4.4648 4.7275 4.7275 5.1986 5.1986 7.2134 7.2134 7.4827 7.4827 7.7452 7.7452 8.0099 8.0099 8.5929 8.5929 11.7804 11.7804 12.3916 12.3916 12.6107 12.6107 13.3370 13.3370 k = 0.6375-0.3541-1.0053 ( 2123 PWs) bands (ev): -40.2751 -40.2751 -19.4373 -19.4373 -18.9954 -18.9954 -18.8165 -18.8165 -9.4132 -9.4132 -9.0775 -9.0775 3.0375 3.0375 3.8624 3.8624 3.9078 3.9078 4.5135 4.5135 4.7146 4.7146 5.2076 5.2076 7.2017 7.2017 7.4896 7.4896 7.7371 7.7371 8.0038 8.0038 8.5888 8.5888 11.7966 11.7966 12.3777 12.3777 12.6279 12.6279 13.2645 13.2645 k = 0.6324-0.3359-1.0053 ( 2129 PWs) bands (ev): -40.2754 -40.2754 -19.4388 -19.4388 -18.9932 -18.9932 -18.8151 -18.8151 -9.4258 -9.4258 -9.0670 -9.0670 3.0179 3.0179 3.8459 3.8459 3.9154 3.9154 4.5638 4.5638 4.7018 4.7018 5.2166 5.2166 7.1881 7.1881 7.4974 7.4974 7.7291 7.7291 7.9974 7.9974 8.5843 8.5843 11.8099 11.8099 12.3661 12.3661 12.6452 12.6452 13.1934 13.1934 k = 0.6273-0.3176-1.0053 ( 2137 PWs) bands (ev): -40.2756 -40.2756 -19.4406 -19.4406 -18.9906 -18.9906 -18.8133 -18.8133 -9.4387 -9.4387 -9.0563 -9.0563 2.9970 2.9970 3.8302 3.8302 3.9238 3.9238 4.6154 4.6154 4.6893 4.6893 5.2256 5.2256 7.1728 7.1728 7.5060 7.5060 7.7211 7.7211 7.9908 7.9908 8.5795 8.5795 11.8196 11.8196 12.3575 12.3575 12.6625 12.6625 13.1239 13.1239 k = 0.6222-0.2993-1.0053 ( 2135 PWs) bands (ev): -40.2759 -40.2759 -19.4425 -19.4425 -18.9879 -18.9879 -18.8113 -18.8113 -9.4517 -9.4517 -9.0457 -9.0457 2.9748 2.9748 3.8155 3.8155 3.9329 3.9329 4.6673 4.6673 4.6780 4.6780 5.2343 5.2343 7.1561 7.1561 7.5151 7.5151 7.7135 7.7135 7.9839 7.9839 8.5746 8.5746 11.8251 11.8251 12.3526 12.3526 12.6799 12.6799 13.0562 13.0562 k = 0.6171-0.2810-1.0053 ( 2125 PWs) bands (ev): -40.2762 -40.2762 -19.4446 -19.4446 -18.9851 -18.9851 -18.8088 -18.8088 -9.4649 -9.4649 -9.0351 -9.0351 2.9517 2.9517 3.8017 3.8017 3.9427 3.9427 4.6644 4.6644 4.7228 4.7228 5.2427 5.2427 7.1381 7.1381 7.5246 7.5246 7.7062 7.7062 7.9770 7.9770 8.5696 8.5696 11.8260 11.8260 12.3516 12.3516 12.6973 12.6973 12.9903 12.9903 k = 0.6120-0.2628-1.0053 ( 2125 PWs) bands (ev): -40.2765 -40.2765 -19.4469 -19.4469 -18.9823 -18.9823 -18.8061 -18.8061 -9.4781 -9.4781 -9.0247 -9.0247 2.9279 2.9279 3.7887 3.7887 3.9530 3.9530 4.6526 4.6526 4.7775 4.7775 5.2506 5.2506 7.1190 7.1190 7.5343 7.5343 7.6992 7.6992 7.9698 7.9698 8.5647 8.5647 11.8223 11.8223 12.3546 12.3546 12.7148 12.7148 12.9263 12.9263 k = 0.6069-0.2445-1.0053 ( 2125 PWs) bands (ev): -40.2769 -40.2769 -19.4494 -19.4494 -18.9794 -18.9794 -18.8030 -18.8030 -9.4914 -9.4914 -9.0143 -9.0143 2.9035 2.9035 3.7766 3.7766 3.9640 3.9640 4.6410 4.6410 4.8329 4.8329 5.2580 5.2580 7.0989 7.0989 7.5439 7.5439 7.6927 7.6927 7.9626 7.9626 8.5598 8.5598 11.8142 11.8142 12.3614 12.3614 12.7322 12.7322 12.8645 12.8645 k = 0.6018-0.2262-1.0053 ( 2125 PWs) bands (ev): -40.2772 -40.2772 -19.4520 -19.4520 -18.9766 -18.9766 -18.7997 -18.7997 -9.5047 -9.5047 -9.0042 -9.0042 2.8788 2.8788 3.7653 3.7653 3.9756 3.9756 4.6296 4.6296 4.8887 4.8887 5.2646 5.2646 7.0781 7.0781 7.5533 7.5533 7.6869 7.6869 7.9554 7.9554 8.5550 8.5550 11.8022 11.8022 12.3715 12.3715 12.7493 12.7493 12.8052 12.8052 k = 0.5967-0.2079-1.0053 ( 2129 PWs) bands (ev): -40.2776 -40.2776 -19.4548 -19.4548 -18.9740 -18.9740 -18.7960 -18.7960 -9.5178 -9.5178 -8.9943 -8.9943 2.8539 2.8539 3.7547 3.7547 3.9878 3.9878 4.6184 4.6184 4.9447 4.9447 5.2706 5.2706 7.0567 7.0567 7.5621 7.5621 7.6818 7.6818 7.9483 7.9483 8.5503 8.5503 11.7869 11.7869 12.3844 12.3844 12.7448 12.7448 12.7696 12.7696 k = 0.5916-0.1897-1.0053 ( 2127 PWs) bands (ev): -40.2779 -40.2779 -19.4576 -19.4576 -18.9714 -18.9714 -18.7921 -18.7921 -9.5307 -9.5307 -8.9846 -8.9846 2.8292 2.8292 3.7448 3.7448 4.0005 4.0005 4.6075 4.6075 5.0006 5.0006 5.2758 5.2758 7.0348 7.0348 7.5702 7.5702 7.6776 7.6776 7.9412 7.9412 8.5458 8.5458 11.7691 11.7691 12.3994 12.3994 12.6910 12.6910 12.7856 12.7856 k = 0.5865-0.1714-1.0053 ( 2131 PWs) bands (ev): -40.2783 -40.2783 -19.4604 -19.4604 -18.9691 -18.9691 -18.7879 -18.7879 -9.5434 -9.5434 -8.9752 -8.9752 2.8048 2.8048 3.7355 3.7355 4.0138 4.0138 4.5968 4.5968 5.0562 5.0562 5.2802 5.2802 7.0126 7.0126 7.5772 7.5772 7.6747 7.6747 7.9343 7.9343 8.5414 8.5414 11.7493 11.7493 12.4158 12.4158 12.6382 12.6382 12.8027 12.8027 k = 0.5815-0.1531-1.0053 ( 2131 PWs) bands (ev): -40.2787 -40.2787 -19.4632 -19.4632 -18.9669 -18.9669 -18.7836 -18.7836 -9.5557 -9.5557 -8.9662 -8.9662 2.7809 2.7809 3.7269 3.7269 4.0274 4.0274 4.5863 4.5863 5.1112 5.1112 5.2839 5.2839 6.9902 6.9902 7.5827 7.5827 7.6733 7.6733 7.9277 7.9277 8.5373 8.5373 11.7282 11.7282 12.4331 12.4331 12.5878 12.5878 12.8197 12.8197 k = 0.5764-0.1348-1.0053 ( 2131 PWs) bands (ev): -40.2790 -40.2790 -19.4661 -19.4661 -18.9649 -18.9649 -18.7791 -18.7791 -9.5676 -9.5676 -8.9575 -8.9575 2.7576 2.7576 3.7189 3.7189 4.0415 4.0415 4.5761 4.5761 5.1653 5.1653 5.2869 5.2869 6.9677 6.9677 7.5866 7.5866 7.6735 7.6735 7.9213 7.9213 8.5334 8.5334 11.7063 11.7063 12.4508 12.4508 12.5399 12.5399 12.8365 12.8365 k = 0.5713-0.1166-1.0053 ( 2139 PWs) bands (ev): -40.2793 -40.2793 -19.4689 -19.4689 -18.9631 -18.9631 -18.7745 -18.7745 -9.5791 -9.5791 -8.9492 -8.9492 2.7351 2.7351 3.7114 3.7114 4.0558 4.0558 4.5660 4.5660 5.2178 5.2178 5.2896 5.2896 6.9453 6.9453 7.5888 7.5888 7.6752 7.6752 7.9153 7.9153 8.5296 8.5296 11.6840 11.6840 12.4685 12.4685 12.4947 12.4947 12.8529 12.8529 k = 0.5662-0.0983-1.0053 ( 2139 PWs) bands (ev): -40.2797 -40.2797 -19.4716 -19.4716 -18.9615 -18.9615 -18.7699 -18.7699 -9.5901 -9.5901 -8.9413 -8.9413 2.7135 2.7135 3.7045 3.7045 4.0704 4.0704 4.5563 4.5563 5.2659 5.2659 5.2946 5.2946 6.9232 6.9232 7.5895 7.5895 7.6784 7.6784 7.9096 7.9096 8.5261 8.5261 11.6618 11.6618 12.4519 12.4519 12.4863 12.4863 12.8688 12.8688 k = 0.5611-0.0800-1.0053 ( 2141 PWs) bands (ev): -40.2800 -40.2800 -19.4742 -19.4742 -18.9601 -18.9601 -18.7654 -18.7654 -9.6005 -9.6005 -8.9339 -8.9339 2.6930 2.6930 3.6982 3.6982 4.0851 4.0851 4.5467 4.5467 5.2858 5.2858 5.3256 5.3256 6.9014 6.9014 7.5889 7.5889 7.6826 7.6826 7.9044 7.9044 8.5229 8.5229 11.6400 11.6400 12.4121 12.4121 12.5031 12.5031 12.8841 12.8841 k = 0.5560-0.0617-1.0053 ( 2139 PWs) bands (ev): -40.2803 -40.2803 -19.4767 -19.4767 -18.9589 -18.9589 -18.7609 -18.7609 -9.6102 -9.6102 -8.9270 -8.9270 2.6737 2.6737 3.6924 3.6924 4.0997 4.0997 4.5374 4.5374 5.2878 5.2878 5.3718 5.3718 6.8801 6.8801 7.5875 7.5875 7.6874 7.6874 7.8996 7.8996 8.5198 8.5198 11.6189 11.6189 12.3751 12.3751 12.5192 12.5192 12.8987 12.8987 k = 0.5509-0.0435-1.0053 ( 2135 PWs) bands (ev): -40.2806 -40.2806 -19.4790 -19.4790 -18.9578 -18.9578 -18.7566 -18.7566 -9.6193 -9.6193 -8.9205 -8.9205 2.6558 2.6558 3.6871 3.6871 4.1142 4.1142 4.5284 4.5284 5.2878 5.2878 5.4173 5.4173 6.8595 6.8595 7.5856 7.5856 7.6926 7.6926 7.8953 7.8953 8.5170 8.5170 11.5988 11.5988 12.3411 12.3411 12.5343 12.5343 12.9124 12.9124 k = 0.5458-0.0252-1.0053 ( 2134 PWs) bands (ev): -40.2808 -40.2808 -19.4811 -19.4811 -18.9569 -18.9569 -18.7525 -18.7525 -9.6276 -9.6276 -8.9147 -8.9147 2.6392 2.6392 3.6823 3.6823 4.1283 4.1283 4.5197 4.5197 5.2871 5.2871 5.4603 5.4603 6.8398 6.8398 7.5834 7.5834 7.6977 7.6977 7.8914 7.8914 8.5145 8.5145 11.5799 11.5799 12.3100 12.3100 12.5483 12.5483 12.9253 12.9253 k = 0.5407-0.0069-1.0053 ( 2134 PWs) bands (ev): -40.2811 -40.2811 -19.4831 -19.4831 -18.9561 -18.9561 -18.7487 -18.7487 -9.6353 -9.6353 -8.9093 -8.9093 2.6242 2.6242 3.6781 3.6781 4.1419 4.1419 4.5114 4.5114 5.2860 5.2860 5.5005 5.5005 6.8211 6.8211 7.5811 7.5811 7.7025 7.7025 7.8881 7.8881 8.5122 8.5122 11.5624 11.5624 12.2820 12.2820 12.5611 12.5611 12.9372 12.9372 k = 0.5356 0.0114-1.0053 ( 2126 PWs) bands (ev): -40.2813 -40.2813 -19.4849 -19.4849 -18.9554 -18.9554 -18.7451 -18.7451 -9.6420 -9.6420 -8.9046 -8.9046 2.6107 2.6107 3.6743 3.6743 4.1548 4.1548 4.5035 4.5035 5.2847 5.2847 5.5373 5.5373 6.8037 6.8037 7.5789 7.5789 7.7070 7.7070 7.8853 7.8853 8.5101 8.5101 11.5466 11.5466 12.2571 12.2571 12.5725 12.5725 12.9479 12.9479 k = 0.5305 0.0296-1.0053 ( 2126 PWs) bands (ev): -40.2815 -40.2815 -19.4865 -19.4865 -18.9548 -18.9548 -18.7420 -18.7420 -9.6480 -9.6480 -8.9004 -8.9004 2.5989 2.5989 3.6711 3.6711 4.1668 4.1668 4.4962 4.4962 5.2833 5.2833 5.5704 5.5704 6.7878 6.7878 7.5768 7.5768 7.7110 7.7110 7.8829 7.8829 8.5083 8.5083 11.5325 11.5325 12.2354 12.2354 12.5826 12.5826 12.9574 12.9574 k = 0.5255 0.0479-1.0053 ( 2130 PWs) bands (ev): -40.2817 -40.2817 -19.4879 -19.4879 -18.9544 -18.9544 -18.7393 -18.7393 -9.6531 -9.6531 -8.8969 -8.8969 2.5888 2.5888 3.6683 3.6683 4.1775 4.1775 4.4895 4.4895 5.2818 5.2818 5.5992 5.5992 6.7737 6.7737 7.5749 7.5749 7.7144 7.7144 7.8809 7.8809 8.5068 8.5068 11.5204 11.5204 12.2170 12.2170 12.5911 12.5911 12.9656 12.9656 k = 0.5204 0.0662-1.0053 ( 2126 PWs) bands (ev): -40.2818 -40.2818 -19.4890 -19.4890 -18.9540 -18.9540 -18.7371 -18.7371 -9.6573 -9.6573 -8.8940 -8.8940 2.5805 2.5805 3.6661 3.6661 4.1868 4.1868 4.4837 4.4837 5.2805 5.2805 5.6235 5.6235 6.7617 6.7617 7.5734 7.5734 7.7172 7.7172 7.8794 7.8794 8.5056 8.5056 11.5103 11.5103 12.2018 12.2018 12.5982 12.5982 12.9724 12.9724 k = 0.5153 0.0845-1.0053 ( 2126 PWs) bands (ev): -40.2819 -40.2819 -19.4899 -19.4899 -18.9538 -18.9538 -18.7353 -18.7353 -9.6606 -9.6606 -8.8917 -8.8917 2.5740 2.5740 3.6643 3.6643 4.1944 4.1944 4.4789 4.4789 5.2794 5.2794 5.6429 5.6429 6.7521 6.7521 7.5721 7.5721 7.7195 7.7195 7.8782 7.8782 8.5046 8.5046 11.5023 11.5023 12.1900 12.1900 12.6037 12.6037 12.9777 12.9777 k = 0.5102 0.1027-1.0053 ( 2130 PWs) bands (ev): -40.2820 -40.2820 -19.4905 -19.4905 -18.9536 -18.9536 -18.7340 -18.7340 -9.6630 -9.6630 -8.8901 -8.8901 2.5693 2.5693 3.6630 3.6630 4.2001 4.2001 4.4753 4.4753 5.2785 5.2785 5.6569 5.6569 6.7450 6.7450 7.5711 7.5711 7.7210 7.7210 7.8774 7.8774 8.5038 8.5038 11.4965 11.4965 12.1815 12.1815 12.6077 12.6077 12.9816 12.9816 k = 0.5051 0.1210-1.0053 ( 2128 PWs) bands (ev): -40.2820 -40.2820 -19.4909 -19.4909 -18.9535 -18.9535 -18.7332 -18.7332 -9.6644 -9.6644 -8.8891 -8.8891 2.5665 2.5665 3.6623 3.6623 4.2035 4.2035 4.4730 4.4730 5.2780 5.2780 5.6655 5.6655 6.7406 6.7406 7.5706 7.5706 7.7220 7.7220 7.8769 7.8769 8.5034 8.5034 11.4931 11.4931 12.1764 12.1764 12.6101 12.6101 12.9839 12.9839 k = 0.5000 0.1393-1.0053 ( 2126 PWs) bands (ev): -40.2820 -40.2820 -19.4910 -19.4910 -18.9535 -18.9535 -18.7329 -18.7329 -9.6649 -9.6649 -8.8887 -8.8887 2.5655 2.5655 3.6620 3.6620 4.2047 4.2047 4.4723 4.4723 5.2778 5.2778 5.6684 5.6684 6.7392 6.7392 7.5704 7.5704 7.7223 7.7223 7.8768 7.8768 8.5033 8.5033 11.4919 11.4919 12.1747 12.1747 12.6109 12.6109 12.9847 12.9847 k = 0.5000 0.1393-1.0053 ( 2126 PWs) bands (ev): -40.2820 -40.2820 -19.4910 -19.4910 -18.9535 -18.9535 -18.7329 -18.7329 -9.6649 -9.6649 -8.8887 -8.8887 2.5655 2.5655 3.6620 3.6620 4.2047 4.2047 4.4723 4.4723 5.2778 5.2778 5.6684 5.6684 6.7392 6.7392 7.5704 7.5704 7.7223 7.7223 7.8768 7.8768 8.5033 8.5033 11.4919 11.4919 12.1747 12.1747 12.6109 12.6109 12.9847 12.9847 k = 0.5158 0.1437-0.9969 ( 2128 PWs) bands (ev): -40.2820 -40.2820 -19.4910 -19.4910 -18.9535 -18.9535 -18.7329 -18.7329 -9.6645 -9.6645 -8.8893 -8.8893 2.5666 2.5666 3.6605 3.6605 4.2068 4.2068 4.4731 4.4731 5.2747 5.2747 5.6667 5.6667 6.7395 6.7395 7.5721 7.5721 7.7226 7.7226 7.8778 7.8778 8.5034 8.5034 11.4864 11.4864 12.1777 12.1777 12.6118 12.6118 12.9846 12.9846 k = 0.5316 0.1481-0.9884 ( 2126 PWs) bands (ev): -40.2821 -40.2821 -19.4909 -19.4909 -18.9534 -18.9534 -18.7329 -18.7329 -9.6631 -9.6631 -8.8910 -8.8910 2.5697 2.5697 3.6560 3.6560 4.2129 4.2129 4.4755 4.4755 5.2657 5.2657 5.6618 5.6618 6.7406 6.7406 7.5774 7.5774 7.7234 7.7234 7.8807 7.8807 8.5038 8.5038 11.4705 11.4705 12.1862 12.1862 12.6144 12.6144 12.9843 12.9843 k = 0.5473 0.1525-0.9800 ( 2125 PWs) bands (ev): -40.2821 -40.2821 -19.4908 -19.4908 -18.9534 -18.9534 -18.7329 -18.7329 -9.6608 -9.6608 -8.8937 -8.8937 2.5750 2.5750 3.6487 3.6487 4.2227 4.2227 4.4794 4.4794 5.2509 5.2509 5.6538 5.6538 6.7423 6.7423 7.5858 7.5858 7.7248 7.7248 7.8856 7.8856 8.5044 8.5044 11.4453 11.4453 12.1991 12.1991 12.6189 12.6189 12.9838 12.9838 k = 0.5631 0.1569-0.9715 ( 2125 PWs) bands (ev): -40.2821 -40.2821 -19.4906 -19.4906 -18.9534 -18.9534 -18.7329 -18.7329 -9.6577 -9.6577 -8.8976 -8.8976 2.5823 2.5823 3.6389 3.6389 4.2361 4.2361 4.4848 4.4848 5.2306 5.2306 5.6426 5.6426 6.7445 6.7445 7.5970 7.5970 7.7269 7.7269 7.8924 7.8924 8.5054 8.5054 11.4124 11.4124 12.2149 12.2149 12.6252 12.6252 12.9831 12.9831 k = 0.5789 0.1613-0.9631 ( 2123 PWs) bands (ev): -40.2822 -40.2822 -19.4904 -19.4904 -18.9533 -18.9533 -18.7329 -18.7329 -9.6537 -9.6537 -8.9025 -8.9025 2.5917 2.5917 3.6271 3.6271 4.2525 4.2525 4.4918 4.4918 5.2051 5.2051 5.6285 5.6285 6.7472 6.7472 7.6106 7.6106 7.7297 7.7297 7.9009 7.9009 8.5067 8.5067 11.3735 11.3735 12.2323 12.2323 12.6334 12.6334 12.9822 12.9822 k = 0.5947 0.1657-0.9546 ( 2126 PWs) bands (ev): -40.2822 -40.2822 -19.4901 -19.4901 -18.9533 -18.9533 -18.7329 -18.7329 -9.6488 -9.6488 -8.9084 -8.9084 2.6030 2.6030 3.6134 3.6134 4.2716 4.2716 4.5004 4.5004 5.1750 5.1750 5.6115 5.6115 6.7503 6.7503 7.6256 7.6256 7.7334 7.7334 7.9111 7.9111 8.5083 8.5083 11.3301 11.3301 12.2499 12.2499 12.6434 12.6434 12.9811 12.9811 k = 0.6105 0.1701-0.9461 ( 2126 PWs) bands (ev): -40.2823 -40.2823 -19.4898 -19.4898 -18.9533 -18.9533 -18.7329 -18.7329 -9.6431 -9.6431 -8.9153 -8.9153 2.6163 2.6163 3.5983 3.5983 4.2929 4.2929 4.5104 4.5104 5.1408 5.1408 5.5920 5.5920 6.7536 6.7536 7.6412 7.6412 7.7386 7.7386 7.9229 7.9229 8.5105 8.5105 11.2838 11.2838 12.2668 12.2668 12.6553 12.6553 12.9799 12.9799 k = 0.6263 0.1745-0.9377 ( 2130 PWs) bands (ev): -40.2823 -40.2823 -19.4894 -19.4894 -18.9532 -18.9532 -18.7329 -18.7329 -9.6365 -9.6365 -8.9232 -8.9232 2.6314 2.6314 3.5821 3.5821 4.3162 4.3162 4.5219 4.5219 5.1029 5.1029 5.5701 5.5701 6.7571 6.7571 7.6562 7.6562 7.7457 7.7457 7.9359 7.9359 8.5131 8.5131 11.2355 11.2355 12.2823 12.2823 12.6688 12.6688 12.9785 12.9785 k = 0.6420 0.1789-0.9292 ( 2134 PWs) bands (ev): -40.2824 -40.2824 -19.4890 -19.4890 -18.9532 -18.9532 -18.7330 -18.7330 -9.6293 -9.6293 -8.9321 -8.9321 2.6484 2.6484 3.5651 3.5651 4.3410 4.3410 4.5349 4.5349 5.0619 5.0619 5.5459 5.5459 6.7607 6.7607 7.6693 7.6693 7.7554 7.7554 7.9501 7.9501 8.5162 8.5162 11.1865 11.1865 12.2962 12.2962 12.6839 12.6839 12.9770 12.9770 k = 0.6578 0.1832-0.9208 ( 2138 PWs) bands (ev): -40.2825 -40.2825 -19.4885 -19.4885 -18.9531 -18.9531 -18.7330 -18.7330 -9.6213 -9.6213 -8.9418 -8.9418 2.6671 2.6671 3.5474 3.5474 4.3671 4.3671 4.5493 4.5493 5.0184 5.0184 5.5198 5.5198 6.7643 6.7643 7.6798 7.6798 7.7680 7.7680 7.9651 7.9651 8.5199 8.5199 11.1376 11.1376 12.3081 12.3081 12.7003 12.7003 12.9753 12.9753 k = 0.6578 0.1832-0.9208 ( 2138 PWs) bands (ev): -40.2825 -40.2825 -19.4885 -19.4885 -18.9531 -18.9531 -18.7330 -18.7330 -9.6213 -9.6213 -8.9418 -8.9418 2.6671 2.6671 3.5474 3.5474 4.3671 4.3671 4.5493 4.5493 5.0184 5.0184 5.5198 5.5198 6.7643 6.7643 7.6798 7.6798 7.7680 7.7680 7.9651 7.9651 8.5199 8.5199 11.1376 11.1376 12.3081 12.3081 12.7003 12.7003 12.9753 12.9753 k = 0.6549 0.1824-0.9022 ( 2132 PWs) bands (ev): -40.2828 -40.2828 -19.4864 -19.4864 -18.9527 -18.9527 -18.7330 -18.7330 -9.6187 -9.6187 -8.9476 -8.9476 2.6747 2.6747 3.5438 3.5438 4.3859 4.3859 4.5562 4.5562 4.9957 4.9957 5.5079 5.5079 6.7672 6.7672 7.6797 7.6797 7.7702 7.7702 7.9717 7.9717 8.5158 8.5158 11.1058 11.1058 12.3244 12.3244 12.6672 12.6672 12.9698 12.9698 k = 0.6520 0.1816-0.8835 ( 2132 PWs) bands (ev): -40.2832 -40.2832 -19.4837 -19.4837 -18.9522 -18.9522 -18.7329 -18.7329 -9.6157 -9.6157 -8.9546 -8.9546 2.6829 2.6829 3.5414 3.5414 4.4037 4.4037 4.5633 4.5633 4.9736 4.9736 5.4959 5.4959 6.7704 6.7704 7.6791 7.6791 7.7724 7.7724 7.9785 7.9785 8.5075 8.5075 11.0753 11.0753 12.3347 12.3347 12.6383 12.6383 12.9630 12.9630 k = 0.6490 0.1808-0.8649 ( 2123 PWs) bands (ev): -40.2837 -40.2837 -19.4804 -19.4804 -18.9515 -18.9515 -18.7329 -18.7329 -9.6123 -9.6123 -8.9630 -8.9630 2.6918 2.6918 3.5403 3.5403 4.4200 4.4200 4.5707 4.5707 4.9525 4.9525 5.4838 5.4838 6.7740 6.7740 7.6778 7.6778 7.7749 7.7749 7.9854 7.9854 8.4948 8.4948 11.0466 11.0466 12.3382 12.3382 12.6155 12.6155 12.9548 12.9548 k = 0.6461 0.1800-0.8463 ( 2119 PWs) bands (ev): -40.2843 -40.2843 -19.4765 -19.4765 -18.9507 -18.9507 -18.7328 -18.7328 -9.6084 -9.6084 -8.9726 -8.9726 2.7010 2.7010 3.5408 3.5408 4.4345 4.4345 4.5781 4.5781 4.9328 4.9328 5.4717 5.4717 6.7778 6.7778 7.6759 7.6759 7.7775 7.7775 7.9923 7.9923 8.4776 8.4776 11.0201 11.0201 12.3344 12.3344 12.5997 12.5997 12.9453 12.9453 k = 0.6432 0.1792-0.8277 ( 2117 PWs) bands (ev): -40.2850 -40.2850 -19.4722 -19.4722 -18.9498 -18.9498 -18.7327 -18.7327 -9.6041 -9.6041 -8.9834 -8.9834 2.7106 2.7106 3.5429 3.5429 4.4467 4.4467 4.5856 4.5856 4.9149 4.9149 5.4595 5.4595 6.7820 6.7820 7.6732 7.6732 7.7804 7.7804 7.9994 7.9994 8.4560 8.4560 10.9961 10.9961 12.3243 12.3243 12.5905 12.5905 12.9345 12.9345 k = 0.6403 0.1784-0.8091 ( 2116 PWs) bands (ev): -40.2857 -40.2857 -19.4673 -19.4673 -18.9488 -18.9488 -18.7325 -18.7325 -9.5993 -9.5993 -8.9954 -8.9954 2.7204 2.7204 3.5468 3.5468 4.4560 4.4560 4.5933 4.5933 4.8992 4.8992 5.4474 5.4474 6.7863 6.7863 7.6698 7.6698 7.7836 7.7836 8.0065 8.0065 8.4298 8.4298 10.9750 10.9750 12.3094 12.3094 12.5865 12.5865 12.9224 12.9224 k = 0.6374 0.1775-0.7904 ( 2122 PWs) bands (ev): -40.2866 -40.2866 -19.4620 -19.4620 -18.9477 -18.9477 -18.7324 -18.7324 -9.5942 -9.5942 -9.0086 -9.0086 2.7303 2.7303 3.5526 3.5526 4.4620 4.4620 4.6010 4.6010 4.8861 4.8861 5.4354 5.4354 6.7908 6.7908 7.6656 7.6656 7.7871 7.7871 8.0138 8.0138 8.3992 8.3992 10.9570 10.9570 12.2918 12.2918 12.5859 12.5859 12.9091 12.9091 k = 0.6344 0.1767-0.7718 ( 2119 PWs) bands (ev): -40.2875 -40.2875 -19.4562 -19.4562 -18.9464 -18.9464 -18.7321 -18.7321 -9.5887 -9.5887 -9.0229 -9.0229 2.7402 2.7402 3.5604 3.5604 4.4645 4.4645 4.6086 4.6086 4.8763 4.8763 5.4235 5.4235 6.7955 6.7955 7.6606 7.6606 7.7910 7.7910 8.0211 8.0211 8.3643 8.3643 10.9424 10.9424 12.2733 12.2733 12.5871 12.5871 12.8945 12.8945 k = 0.6315 0.1759-0.7532 ( 2119 PWs) bands (ev): -40.2885 -40.2885 -19.4501 -19.4501 -18.9449 -18.9449 -18.7318 -18.7318 -9.5828 -9.5828 -9.0382 -9.0382 2.7500 2.7500 3.5703 3.5703 4.4631 4.4631 4.6162 4.6162 4.8697 4.8697 5.4119 5.4119 6.8004 6.8004 7.6548 7.6548 7.7952 7.7952 8.0284 8.0284 8.3255 8.3255 10.9315 10.9315 12.2551 12.2551 12.5891 12.5891 12.8787 12.8787 k = 0.6286 0.1751-0.7346 ( 2127 PWs) bands (ev): -40.2896 -40.2896 -19.4436 -19.4436 -18.9433 -18.9433 -18.7315 -18.7315 -9.5767 -9.5767 -9.0546 -9.0546 2.7595 2.7595 3.5822 3.5822 4.4579 4.4579 4.6235 4.6235 4.8665 4.8665 5.4006 5.4006 6.8052 6.8052 7.6483 7.6483 7.7997 7.7997 8.0358 8.0358 8.2828 8.2828 10.9242 10.9242 12.2378 12.2378 12.5910 12.5910 12.8618 12.8618 k = 0.6257 0.1743-0.7160 ( 2123 PWs) bands (ev): -40.2907 -40.2907 -19.4367 -19.4367 -18.9415 -18.9415 -18.7310 -18.7310 -9.5703 -9.5703 -9.0718 -9.0718 2.7688 2.7688 3.5961 3.5961 4.4495 4.4495 4.6306 4.6306 4.8665 4.8665 5.3897 5.3897 6.8100 6.8100 7.6410 7.6410 7.8043 7.8043 8.0433 8.0433 8.2371 8.2371 10.9207 10.9207 12.2222 12.2222 12.5924 12.5924 12.8437 12.8437 k = 0.6227 0.1735-0.6974 ( 2120 PWs) bands (ev): -40.2919 -40.2919 -19.4295 -19.4295 -18.9395 -18.9395 -18.7304 -18.7304 -9.5637 -9.5637 -9.0898 -9.0898 2.7779 2.7779 3.6117 3.6117 4.4384 4.4384 4.6375 4.6375 4.8692 4.8692 5.3793 5.3793 6.8148 6.8148 7.6329 7.6329 7.8090 7.8090 8.0506 8.0506 8.1887 8.1887 10.9209 10.9209 12.2084 12.2084 12.5931 12.5931 12.8244 12.8244 k = 0.6198 0.1727-0.6787 ( 2122 PWs) bands (ev): -40.2932 -40.2932 -19.4221 -19.4221 -18.9374 -18.9374 -18.7298 -18.7298 -9.5570 -9.5570 -9.1086 -9.1086 2.7866 2.7866 3.6288 3.6288 4.4253 4.4253 4.6438 4.6438 4.8741 4.8741 5.3695 5.3695 6.8193 6.8193 7.6240 7.6240 7.8133 7.8133 8.0572 8.0572 8.1391 8.1391 10.9248 10.9248 12.1965 12.1965 12.5929 12.5929 12.8041 12.8041 k = 0.6169 0.1718-0.6601 ( 2120 PWs) bands (ev): -40.2945 -40.2945 -19.4145 -19.4145 -18.9350 -18.9350 -18.7290 -18.7290 -9.5501 -9.5501 -9.1280 -9.1280 2.7950 2.7950 3.6469 3.6469 4.4114 4.4114 4.6497 4.6497 4.8806 4.8806 5.3604 5.3604 6.8235 6.8235 7.6142 7.6142 7.8168 7.8168 8.0588 8.0588 8.0938 8.0938 10.9323 10.9323 12.1867 12.1867 12.5920 12.5920 12.7827 12.7827 k = 0.6140 0.1710-0.6415 ( 2132 PWs) bands (ev): -40.2959 -40.2959 -19.4069 -19.4069 -18.9324 -18.9324 -18.7281 -18.7281 -9.5434 -9.5434 -9.1479 -9.1479 2.8032 2.8032 3.6654 3.6654 4.3974 4.3974 4.6549 4.6549 4.8881 4.8881 5.3522 5.3522 6.8273 6.8273 7.6033 7.6033 7.8180 7.8180 8.0284 8.0284 8.0814 8.0814 10.9431 10.9431 12.1789 12.1789 12.5901 12.5901 12.7602 12.7602 k = 0.6111 0.1702-0.6229 ( 2130 PWs) bands (ev): -40.2973 -40.2973 -19.3991 -19.3991 -18.9296 -18.9296 -18.7271 -18.7271 -9.5368 -9.5368 -9.1681 -9.1681 2.8113 2.8113 3.6837 3.6837 4.3848 4.3848 4.6594 4.6594 4.8964 4.8964 5.3448 5.3448 6.8304 6.8304 7.5914 7.5914 7.8145 7.8145 7.9844 7.9844 8.0871 8.0871 10.9572 10.9572 12.1731 12.1731 12.5876 12.5876 12.7368 12.7368 k = 0.6081 0.1694-0.6043 ( 2130 PWs) bands (ev): -40.2988 -40.2988 -19.3912 -19.3912 -18.9265 -18.9265 -18.7259 -18.7259 -9.5305 -9.5305 -9.1884 -9.1884 2.8194 2.8194 3.7009 3.7009 4.3744 4.3744 4.6630 4.6630 4.9049 4.9049 5.3385 5.3385 6.8327 6.8327 7.5780 7.5780 7.8014 7.8014 7.9485 7.9485 8.0947 8.0947 10.9743 10.9743 12.1694 12.1694 12.5843 12.5843 12.7124 12.7124 k = 0.6052 0.1686-0.5857 ( 2128 PWs) bands (ev): -40.3003 -40.3003 -19.3834 -19.3834 -18.9231 -18.9231 -18.7245 -18.7245 -9.5247 -9.5247 -9.2086 -9.2086 2.8277 2.8277 3.7160 3.7160 4.3675 4.3675 4.6657 4.6657 4.9134 4.9134 5.3334 5.3334 6.8338 6.8338 7.5625 7.5625 7.7745 7.7745 7.9276 7.9276 8.1028 8.1028 10.9941 10.9941 12.1676 12.1676 12.5804 12.5804 12.6871 12.6871 k = 0.6023 0.1678-0.5670 ( 2126 PWs) bands (ev): -40.3019 -40.3019 -19.3756 -19.3756 -18.9195 -18.9195 -18.7230 -18.7230 -9.5196 -9.5196 -9.2285 -9.2285 2.8361 2.8361 3.7281 3.7281 4.3652 4.3652 4.6674 4.6674 4.9214 4.9214 5.3294 5.3294 6.8335 6.8335 7.5442 7.5442 7.7366 7.7366 7.9205 7.9205 8.1113 8.1113 11.0165 11.0165 12.1678 12.1678 12.5760 12.5760 12.6610 12.6610 k = 0.5994 0.1670-0.5484 ( 2122 PWs) bands (ev): -40.3034 -40.3034 -19.3680 -19.3680 -18.9156 -18.9156 -18.7213 -18.7213 -9.5157 -9.5157 -9.2475 -9.2475 2.8449 2.8449 3.7361 3.7361 4.3685 4.3685 4.6680 4.6680 4.9290 4.9290 5.3268 5.3268 6.8313 6.8313 7.5218 7.5218 7.6954 7.6954 7.9218 7.9218 8.1199 8.1199 11.0412 11.0412 12.1698 12.1698 12.5711 12.5711 12.6341 12.6341 k = 0.5964 0.1662-0.5298 ( 2124 PWs) bands (ev): -40.3051 -40.3051 -19.3605 -19.3605 -18.9114 -18.9114 -18.7194 -18.7194 -9.5132 -9.5132 -9.2653 -9.2653 2.8542 2.8542 3.7393 3.7393 4.3782 4.3782 4.6675 4.6675 4.9357 4.9357 5.3255 5.3255 6.8267 6.8267 7.4938 7.4938 7.6569 7.6569 7.9275 7.9275 8.1287 8.1287 11.0678 11.0678 12.1736 12.1736 12.5657 12.5657 12.6066 12.6066 k = 0.5935 0.1653-0.5112 ( 2118 PWs) bands (ev): -40.3067 -40.3067 -19.3533 -19.3533 -18.9069 -18.9069 -18.7173 -18.7173 -9.5128 -9.5128 -9.2813 -9.2813 2.8641 2.8641 3.7376 3.7376 4.3945 4.3945 4.6658 4.6658 4.9416 4.9416 5.3255 5.3255 6.8190 6.8190 7.4600 7.4600 7.6245 7.6245 7.9358 7.9358 8.1377 8.1377 11.0963 11.0963 12.1792 12.1792 12.5589 12.5589 12.5796 12.5796 k = 0.5906 0.1645-0.4926 ( 2110 PWs) bands (ev): -40.3083 -40.3083 -19.3463 -19.3463 -18.9020 -18.9020 -18.7150 -18.7150 -9.5148 -9.5148 -9.2950 -9.2950 2.8747 2.8747 3.7308 3.7308 4.4173 4.4173 4.6630 4.6630 4.9465 4.9465 5.3270 5.3270 6.8077 6.8077 7.4218 7.4218 7.5984 7.5984 7.9458 7.9458 8.1469 8.1469 11.1262 11.1262 12.1865 12.1865 12.5433 12.5433 12.5605 12.5605 k = 0.5877 0.1637-0.4739 ( 2112 PWs) bands (ev): -40.3100 -40.3100 -19.3397 -19.3397 -18.8970 -18.8970 -18.7126 -18.7126 -9.5200 -9.5200 -9.3057 -9.3057 2.8861 2.8861 3.7194 3.7194 4.4461 4.4461 4.6589 4.6589 4.9502 4.9502 5.3298 5.3298 6.7917 6.7917 7.3822 7.3822 7.5774 7.5774 7.9568 7.9568 8.1561 8.1561 11.1573 11.1573 12.1954 12.1954 12.5158 12.5158 12.5527 12.5527 k = 0.5848 0.1629-0.4553 ( 2115 PWs) bands (ev): -40.3117 -40.3117 -19.3334 -19.3334 -18.8917 -18.8917 -18.7099 -18.7099 -9.5285 -9.5285 -9.3133 -9.3133 2.8984 2.8984 3.7040 3.7040 4.4802 4.4802 4.6538 4.6538 4.9528 4.9528 5.3339 5.3339 6.7705 6.7705 7.3438 7.3438 7.5598 7.5598 7.9686 7.9686 8.1655 8.1655 11.1894 11.1894 12.2060 12.2060 12.4859 12.4859 12.5468 12.5468 k = 0.5818 0.1621-0.4367 ( 2117 PWs) bands (ev): -40.3133 -40.3133 -19.3274 -19.3274 -18.8861 -18.8861 -18.7069 -18.7069 -9.5402 -9.5402 -9.3177 -9.3177 2.9118 2.9118 3.6854 3.6854 4.5188 4.5188 4.6476 4.6476 4.9540 4.9540 5.3392 5.3392 6.7436 6.7436 7.3090 7.3090 7.5446 7.5446 7.9812 7.9812 8.1750 8.1750 11.2223 11.2223 12.2181 12.2181 12.4552 12.4552 12.5413 12.5413 k = 0.5789 0.1613-0.4181 ( 2111 PWs) bands (ev): -40.3150 -40.3150 -19.3219 -19.3219 -18.8803 -18.8803 -18.7038 -18.7038 -9.5548 -9.5548 -9.3191 -9.3191 2.9262 2.9262 3.6642 3.6642 4.5610 4.5610 4.6407 4.6407 4.9539 4.9539 5.3457 5.3457 6.7107 6.7107 7.2789 7.2789 7.5311 7.5311 7.9945 7.9945 8.1847 8.1847 11.2557 11.2557 12.2315 12.2315 12.4240 12.4240 12.5362 12.5362 k = 0.5760 0.1605-0.3995 ( 2111 PWs) bands (ev): -40.3167 -40.3167 -19.3167 -19.3167 -18.8744 -18.8744 -18.7004 -18.7004 -9.5719 -9.5719 -9.3181 -9.3181 2.9417 2.9417 3.6410 3.6410 4.6053 4.6053 4.6333 4.6333 4.9526 4.9526 5.3533 5.3533 6.6721 6.6721 7.2540 7.2540 7.5186 7.5186 8.0082 8.0082 8.1945 8.1945 11.2893 11.2893 12.2462 12.2462 12.3924 12.3924 12.5315 12.5315 k = 0.5731 0.1596-0.3809 ( 2111 PWs) bands (ev): -40.3183 -40.3183 -19.3120 -19.3120 -18.8683 -18.8683 -18.6967 -18.6967 -9.5908 -9.5908 -9.3151 -9.3151 2.9585 2.9585 3.6164 3.6164 4.6225 4.6225 4.6545 4.6545 4.9499 4.9499 5.3617 5.3617 6.6286 6.6286 7.2341 7.2341 7.5071 7.5071 8.0224 8.0224 8.2043 8.2043 11.3230 11.3230 12.2620 12.2620 12.3606 12.3606 12.5272 12.5272 k = 0.5701 0.1588-0.3622 ( 2113 PWs) bands (ev): -40.3199 -40.3199 -19.3076 -19.3076 -18.8622 -18.8622 -18.6929 -18.6929 -9.6110 -9.6110 -9.3108 -9.3108 2.9765 2.9765 3.5909 3.5909 4.6136 4.6136 4.7021 4.7021 4.9462 4.9462 5.3710 5.3710 6.5811 6.5811 7.2188 7.2188 7.4963 7.4963 8.0370 8.0370 8.2142 8.2142 11.3566 11.3566 12.2784 12.2784 12.3289 12.3289 12.5237 12.5237 k = 0.5672 0.1580-0.3436 ( 2111 PWs) bands (ev): -40.3215 -40.3215 -19.3037 -19.3037 -18.8559 -18.8559 -18.6888 -18.6888 -9.6321 -9.6321 -9.3053 -9.3053 2.9957 2.9957 3.5648 3.5648 4.6037 4.6037 4.7503 4.7503 4.9419 4.9419 5.3809 5.3809 6.5307 6.5307 7.2072 7.2072 7.4862 7.4862 8.0519 8.0519 8.2243 8.2243 11.3898 11.3898 12.2915 12.2915 12.3007 12.3007 12.5211 12.5211 k = 0.5643 0.1572-0.3250 ( 2109 PWs) bands (ev): -40.3231 -40.3231 -19.3002 -19.3002 -18.8497 -18.8497 -18.6844 -18.6844 -9.6536 -9.6536 -9.2991 -9.2991 3.0163 3.0163 3.5385 3.5385 4.5934 4.5934 4.7964 4.7964 4.9386 4.9386 5.3914 5.3914 6.4785 6.4785 7.1987 7.1987 7.4768 7.4768 8.0671 8.0671 8.2344 8.2344 11.4226 11.4226 12.2641 12.2641 12.3130 12.3130 12.5199 12.5199 k = 0.5614 0.1564-0.3064 ( 2105 PWs) bands (ev): -40.3247 -40.3247 -19.2970 -19.2970 -18.8435 -18.8435 -18.6798 -18.6798 -9.6754 -9.6754 -9.2925 -9.2925 3.0381 3.0381 3.5122 3.5122 4.5828 4.5828 4.8355 4.8355 4.9407 4.9407 5.4023 5.4023 6.4254 6.4254 7.1926 7.1926 7.4680 7.4680 8.0825 8.0825 8.2445 8.2445 11.4547 11.4547 12.2326 12.2326 12.3287 12.3287 12.5206 12.5206 k = 0.5585 0.1556-0.2878 ( 2107 PWs) bands (ev): -40.3262 -40.3262 -19.2942 -19.2942 -18.8375 -18.8375 -18.6750 -18.6750 -9.6972 -9.6972 -9.2855 -9.2855 3.0612 3.0612 3.4862 3.4862 4.5719 4.5719 4.8573 4.8573 4.9581 4.9581 5.4136 5.4136 6.3722 6.3722 7.1883 7.1883 7.4597 7.4597 8.0981 8.0981 8.2547 8.2547 11.4860 11.4860 12.2013 12.2013 12.3427 12.3427 12.5240 12.5240 k = 0.5555 0.1548-0.2692 ( 2113 PWs) bands (ev): -40.3276 -40.3276 -19.2918 -19.2918 -18.8316 -18.8316 -18.6701 -18.6701 -9.7188 -9.7188 -9.2783 -9.2783 3.0855 3.0855 3.4606 3.4606 4.5608 4.5608 4.8585 4.8585 4.9935 4.9935 5.4250 5.4250 6.3197 6.3197 7.1853 7.1853 7.4520 7.4520 8.1137 8.1137 8.2648 8.2648 11.5164 11.5164 12.1703 12.1703 12.3541 12.3541 12.5307 12.5307 k = 0.5526 0.1539-0.2505 ( 2114 PWs) bands (ev): -40.3290 -40.3290 -19.2897 -19.2897 -18.8260 -18.8260 -18.6649 -18.6649 -9.7400 -9.7400 -9.2711 -9.2711 3.1111 3.1111 3.4356 3.4356 4.5498 4.5498 4.8483 4.8483 5.0377 5.0377 5.4365 5.4365 6.2684 6.2684 7.1832 7.1832 7.4450 7.4450 8.1293 8.1293 8.2750 8.2750 11.5459 11.5459 12.1400 12.1400 12.3622 12.3622 12.5413 12.5413 k = 0.5497 0.1531-0.2319 ( 2109 PWs) bands (ev): -40.3304 -40.3304 -19.2879 -19.2879 -18.8205 -18.8205 -18.6596 -18.6596 -9.7606 -9.7606 -9.2640 -9.2640 3.1377 3.1377 3.4114 3.4114 4.5390 4.5390 4.8324 4.8324 5.0844 5.0844 5.4481 5.4481 6.2190 6.2190 7.1819 7.1819 7.4386 7.4386 8.1449 8.1449 8.2851 8.2851 11.5743 11.5743 12.1103 12.1103 12.3666 12.3666 12.5558 12.5558 k = 0.5468 0.1523-0.2133 ( 2107 PWs) bands (ev): -40.3317 -40.3317 -19.2863 -19.2863 -18.8153 -18.8153 -18.6542 -18.6542 -9.7807 -9.7807 -9.2569 -9.2569 3.1655 3.1655 3.3881 3.3881 4.5283 4.5283 4.8128 4.8128 5.1313 5.1313 5.4595 5.4595 6.1717 6.1717 7.1810 7.1810 7.4329 7.4329 8.1603 8.1603 8.2951 8.2951 11.6015 11.6015 12.0814 12.0814 12.3677 12.3677 12.5735 12.5735 k = 0.5438 0.1515-0.1947 ( 2112 PWs) bands (ev): -40.3330 -40.3330 -19.2851 -19.2851 -18.8104 -18.8104 -18.6488 -18.6488 -9.8000 -9.8000 -9.2501 -9.2501 3.1941 3.1941 3.3659 3.3659 4.5178 4.5178 4.7904 4.7904 5.1773 5.1773 5.4707 5.4707 6.1270 6.1270 7.1804 7.1804 7.4276 7.4276 8.1754 8.1754 8.3051 8.3051 11.6274 11.6274 12.0535 12.0535 12.3661 12.3661 12.5938 12.5938 k = 0.5409 0.1507-0.1761 ( 2104 PWs) bands (ev): -40.3342 -40.3342 -19.2839 -19.2839 -18.8058 -18.8058 -18.6433 -18.6433 -9.8185 -9.8185 -9.2435 -9.2435 3.2234 3.2234 3.3450 3.3450 4.5079 4.5079 4.7657 4.7657 5.2219 5.2219 5.4817 5.4817 6.0851 6.0851 7.1800 7.1800 7.4231 7.4231 8.1901 8.1901 8.3149 8.3149 11.6520 11.6520 12.0266 12.0266 12.3624 12.3624 12.6158 12.6158 k = 0.5380 0.1499-0.1574 ( 2104 PWs) bands (ev): -40.3353 -40.3353 -19.2831 -19.2831 -18.8016 -18.8016 -18.6379 -18.6379 -9.8360 -9.8360 -9.2372 -9.2372 3.2530 3.2530 3.3257 3.3257 4.4982 4.4982 4.7389 4.7389 5.2645 5.2645 5.4924 5.4924 6.0461 6.0461 7.1796 7.1796 7.4190 7.4190 8.2044 8.2044 8.3246 8.3246 11.6753 11.6753 12.0009 12.0009 12.3572 12.3572 12.6387 12.6387 k = 0.5351 0.1491-0.1388 ( 2104 PWs) bands (ev): -40.3363 -40.3363 -19.2823 -19.2823 -18.7976 -18.7976 -18.6326 -18.6326 -9.8526 -9.8526 -9.2312 -9.2312 3.2798 3.2798 3.3108 3.3108 4.4890 4.4890 4.7105 4.7105 5.3048 5.3048 5.5027 5.5027 6.0103 6.0103 7.1793 7.1793 7.4155 7.4155 8.2181 8.2181 8.3341 8.3341 11.6970 11.6970 11.9765 11.9765 12.3509 12.3509 12.6618 12.6618 k = 0.5321 0.1482-0.1202 ( 2106 PWs) bands (ev): -40.3373 -40.3373 -19.2818 -19.2818 -18.7941 -18.7941 -18.6276 -18.6276 -9.8681 -9.8681 -9.2256 -9.2256 3.2824 3.2824 3.3218 3.3218 4.4803 4.4803 4.6807 4.6807 5.3426 5.3426 5.5127 5.5127 5.9777 5.9777 7.1789 7.1789 7.4125 7.4125 8.2311 8.2311 8.3433 8.3433 11.7172 11.7172 11.9536 11.9536 12.3441 12.3441 12.6847 12.6847 k = 0.5292 0.1474-0.1016 ( 2108 PWs) bands (ev): -40.3382 -40.3382 -19.2813 -19.2813 -18.7908 -18.7908 -18.6227 -18.6227 -9.8824 -9.8824 -9.2204 -9.2204 3.2686 3.2686 3.3506 3.3506 4.4721 4.4721 4.6500 4.6500 5.3775 5.3775 5.5222 5.5222 5.9483 5.9483 7.1785 7.1785 7.4099 7.4099 8.2432 8.2432 8.3522 8.3522 11.7358 11.7358 11.9322 11.9322 12.3369 12.3369 12.7068 12.7068 k = 0.5263 0.1466-0.0830 ( 2108 PWs) bands (ev): -40.3391 -40.3391 -19.2810 -19.2810 -18.7879 -18.7879 -18.6181 -18.6181 -9.8956 -9.8956 -9.2156 -9.2156 3.2545 3.2545 3.3810 3.3810 4.4646 4.4646 4.6188 4.6188 5.4092 5.4092 5.5313 5.5313 5.9222 5.9222 7.1780 7.1780 7.4078 7.4078 8.2545 8.2545 8.3608 8.3608 11.7527 11.7527 11.9125 11.9125 12.3297 12.3297 12.7278 12.7278 k = 0.5234 0.1458-0.0644 ( 2104 PWs) bands (ev): -40.3398 -40.3398 -19.2807 -19.2807 -18.7853 -18.7853 -18.6138 -18.6138 -9.9075 -9.9075 -9.2113 -9.2113 3.2414 3.2414 3.4110 3.4110 4.4578 4.4578 4.5878 4.5878 5.4374 5.4374 5.5402 5.5402 5.8992 5.8992 7.1776 7.1776 7.4061 7.4061 8.2648 8.2648 8.3689 8.3689 11.7678 11.7678 11.8946 11.8946 12.3228 12.3228 12.7473 12.7473 k = 0.5205 0.1450-0.0457 ( 2100 PWs) bands (ev): -40.3405 -40.3405 -19.2805 -19.2805 -18.7830 -18.7830 -18.6099 -18.6099 -9.9181 -9.9181 -9.2074 -9.2074 3.2296 3.2296 3.4400 3.4400 4.4517 4.4517 4.5576 4.5576 5.4619 5.4619 5.5489 5.5489 5.8794 5.8794 7.1772 7.1772 7.4047 7.4047 8.2739 8.2739 8.3764 8.3764 11.7812 11.7812 11.8785 11.8785 12.3163 12.3163 12.7652 12.7652 k = 0.5175 0.1442-0.0271 ( 2102 PWs) bands (ev): -40.3411 -40.3411 -19.2803 -19.2803 -18.7810 -18.7810 -18.6064 -18.6064 -9.9274 -9.9274 -9.2040 -9.2040 3.2193 3.2193 3.4674 3.4674 4.4462 4.4462 4.5289 4.5289 5.4824 5.4824 5.5573 5.5573 5.8626 5.8626 7.1767 7.1767 7.4035 7.4035 8.2820 8.2820 8.3832 8.3832 11.7927 11.7927 11.8643 11.8643 12.3103 12.3103 12.7810 12.7810 k = 0.5146 0.1434-0.0085 ( 2094 PWs) bands (ev): -40.3416 -40.3416 -19.2802 -19.2802 -18.7793 -18.7793 -18.6034 -18.6034 -9.9354 -9.9354 -9.2011 -9.2011 3.2106 3.2106 3.4925 3.4925 4.4415 4.4415 4.5026 4.5026 5.4988 5.4988 5.5656 5.5656 5.8486 5.8486 7.1763 7.1763 7.4027 7.4027 8.2888 8.2888 8.3892 8.3892 11.8025 11.8025 11.8522 11.8522 12.3051 12.3051 12.7948 12.7948 k = 0.5117 0.1425 0.0101 ( 2090 PWs) bands (ev): -40.3420 -40.3420 -19.2801 -19.2801 -18.7780 -18.7780 -18.6008 -18.6008 -9.9419 -9.9419 -9.1987 -9.1987 3.2034 3.2034 3.5145 3.5145 4.4372 4.4372 4.4797 4.4797 5.5112 5.5112 5.5735 5.5735 5.8375 5.8375 7.1759 7.1759 7.4020 7.4020 8.2945 8.2945 8.3943 8.3943 11.8103 11.8103 11.8423 11.8423 12.3007 12.3007 12.8063 12.8063 k = 0.5088 0.1417 0.0287 ( 2090 PWs) bands (ev): -40.3423 -40.3423 -19.2801 -19.2801 -18.7769 -18.7769 -18.5989 -18.5989 -9.9470 -9.9470 -9.1969 -9.1969 3.1977 3.1977 3.5327 3.5327 4.4333 4.4333 4.4612 4.4612 5.5201 5.5201 5.5804 5.5804 5.8289 5.8289 7.1756 7.1756 7.4015 7.4015 8.2989 8.2989 8.3984 8.3984 11.8164 11.8164 11.8344 11.8344 12.2973 12.2973 12.8153 12.8153 k = 0.5058 0.1409 0.0473 ( 2088 PWs) bands (ev): -40.3425 -40.3425 -19.2801 -19.2801 -18.7762 -18.7762 -18.5974 -18.5974 -9.9506 -9.9506 -9.1955 -9.1955 3.1937 3.1937 3.5464 3.5464 4.4294 4.4294 4.4485 4.4485 5.5260 5.5260 5.5858 5.5858 5.8230 5.8230 7.1753 7.1753 7.4012 7.4012 8.3020 8.3020 8.4014 8.4014 11.8207 11.8207 11.8288 11.8288 12.2948 12.2948 12.8218 12.8218 k = 0.5029 0.1401 0.0660 ( 2088 PWs) bands (ev): -40.3426 -40.3426 -19.2801 -19.2801 -18.7758 -18.7758 -18.5966 -18.5966 -9.9528 -9.9528 -9.1947 -9.1947 3.1912 3.1912 3.5548 3.5548 4.4256 4.4256 4.4419 4.4419 5.5293 5.5293 5.5892 5.5892 5.8194 5.8194 7.1752 7.1752 7.4010 7.4010 8.3039 8.3039 8.4032 8.4032 11.8232 11.8232 11.8256 11.8256 12.2933 12.2933 12.8258 12.8258 k = 0.5000 0.1393 0.0846 ( 2088 PWs) bands (ev): -40.3427 -40.3427 -19.2801 -19.2801 -18.7756 -18.7756 -18.5963 -18.5963 -9.9536 -9.9536 -9.1944 -9.1944 3.1904 3.1904 3.5577 3.5577 4.4239 4.4239 4.4400 4.4400 5.5304 5.5304 5.5904 5.5904 5.8182 5.8182 7.1751 7.1751 7.4010 7.4010 8.3045 8.3045 8.4038 8.4038 11.8236 11.8236 11.8249 11.8249 12.2928 12.2928 12.8271 12.8271 k = 0.5000-0.8278-0.5027 ( 2120 PWs) bands (ev): -40.2820 -40.2820 -19.4920 -19.4920 -18.9538 -18.9538 -18.7330 -18.7330 -9.4586 -9.4586 -9.1134 -9.1134 3.1231 3.1231 3.1727 3.1727 4.3860 4.3860 4.7220 4.7220 4.8737 4.8737 5.0678 5.0678 6.7924 6.7924 7.7164 7.7164 7.9729 7.9729 8.1376 8.1376 8.6454 8.6454 10.7253 10.7253 12.2452 12.2452 12.9790 12.9790 13.3335 13.3335 k = 0.5166-0.8205-0.4982 ( 2126 PWs) bands (ev): -40.2820 -40.2820 -19.4920 -19.4920 -18.9539 -18.9539 -18.7330 -18.7330 -9.4596 -9.4596 -9.1124 -9.1124 3.1111 3.1111 3.1840 3.1840 4.3874 4.3874 4.7217 4.7217 4.8698 4.8698 5.0721 5.0721 6.7923 6.7923 7.7163 7.7163 7.9723 7.9723 8.1370 8.1370 8.6446 8.6446 10.7267 10.7267 12.2455 12.2455 12.9790 12.9790 13.3307 13.3307 k = 0.5332-0.8131-0.4938 ( 2123 PWs) bands (ev): -40.2820 -40.2820 -19.4920 -19.4920 -18.9538 -18.9538 -18.7330 -18.7330 -9.4625 -9.4625 -9.1094 -9.1094 3.0878 3.0878 3.2056 3.2056 4.3916 4.3916 4.7210 4.7210 4.8593 4.8593 5.0840 5.0840 6.7920 6.7920 7.7162 7.7162 7.9707 7.9707 8.1353 8.1353 8.6424 8.6424 10.7308 10.7308 12.2464 12.2464 12.9790 12.9790 13.3223 13.3223 k = 0.5498-0.8058-0.4893 ( 2125 PWs) bands (ev): -40.2821 -40.2821 -19.4919 -19.4919 -18.9538 -18.9538 -18.7330 -18.7330 -9.4672 -9.4672 -9.1045 -9.1045 3.0617 3.0617 3.2290 3.2290 4.3983 4.3983 4.7200 4.7200 4.8440 4.8440 5.1016 5.1016 6.7916 6.7916 7.7160 7.7160 7.9680 7.9680 8.1324 8.1324 8.6386 8.6386 10.7376 10.7376 12.2479 12.2479 12.9789 12.9789 13.3085 13.3085 k = 0.5664-0.7985-0.4849 ( 2127 PWs) bands (ev): -40.2821 -40.2821 -19.4918 -19.4918 -18.9538 -18.9538 -18.7330 -18.7330 -9.4735 -9.4735 -9.0980 -9.0980 3.0344 3.0344 3.2525 3.2525 4.4072 4.4072 4.7189 4.7189 4.8257 4.8257 5.1230 5.1230 6.7910 6.7910 7.7157 7.7157 7.9642 7.9642 8.1283 8.1283 8.6335 8.6335 10.7471 10.7471 12.2500 12.2500 12.9789 12.9789 13.2895 13.2895 k = 0.5831-0.7911-0.4804 ( 2124 PWs) bands (ev): -40.2821 -40.2821 -19.4918 -19.4918 -18.9538 -18.9538 -18.7330 -18.7330 -9.4811 -9.4811 -9.0900 -9.0900 3.0067 3.0067 3.2756 3.2756 4.4178 4.4178 4.7182 4.7182 4.8059 4.8059 5.1470 5.1470 6.7902 6.7902 7.7154 7.7154 7.9591 7.9591 8.1231 8.1231 8.6272 8.6272 10.7592 10.7592 12.2527 12.2527 12.9788 12.9788 13.2656 13.2656 k = 0.5997-0.7838-0.4760 ( 2118 PWs) bands (ev): -40.2821 -40.2821 -19.4916 -19.4916 -18.9537 -18.9537 -18.7329 -18.7329 -9.4899 -9.4899 -9.0808 -9.0808 2.9788 2.9788 3.2982 3.2982 4.4293 4.4293 4.7184 4.7184 4.7853 4.7853 5.1726 5.1726 6.7892 6.7892 7.7149 7.7149 7.9529 7.9529 8.1168 8.1168 8.6199 8.6199 10.7738 10.7738 12.2559 12.2559 12.9786 12.9786 13.2373 13.2373 k = 0.6163-0.7765-0.4715 ( 2118 PWs) bands (ev): -40.2821 -40.2821 -19.4915 -19.4915 -18.9537 -18.9537 -18.7329 -18.7329 -9.4995 -9.4995 -9.0707 -9.0707 2.9510 2.9510 3.3202 3.3202 4.4408 4.4408 4.7200 4.7200 4.7647 4.7647 5.1994 5.1994 6.7881 6.7881 7.7143 7.7143 7.9453 7.9453 8.1094 8.1094 8.6118 8.6118 10.7908 10.7908 12.2597 12.2597 12.9785 12.9785 13.2050 13.2050 k = 0.6329-0.7692-0.4671 ( 2116 PWs) bands (ev): -40.2821 -40.2821 -19.4913 -19.4913 -18.9537 -18.9537 -18.7329 -18.7329 -9.5097 -9.5097 -9.0599 -9.0599 2.9233 2.9233 3.3415 3.3415 4.4513 4.4513 4.7227 4.7227 4.7457 4.7457 5.2268 5.2268 6.7868 6.7868 7.7137 7.7137 7.9363 7.9363 8.1010 8.1010 8.6032 8.6032 10.8102 10.8102 12.2639 12.2639 12.9783 12.9783 13.1691 13.1691 k = 0.6495-0.7618-0.4626 ( 2116 PWs) bands (ev): -40.2821 -40.2821 -19.4911 -19.4911 -18.9536 -18.9536 -18.7329 -18.7329 -9.5205 -9.5205 -9.0486 -9.0486 2.8960 2.8960 3.3623 3.3623 4.4594 4.4594 4.7169 4.7169 4.7390 4.7390 5.2547 5.2547 6.7853 6.7853 7.7128 7.7128 7.9259 7.9259 8.0916 8.0916 8.5942 8.5942 10.8318 10.8318 12.2685 12.2685 12.9781 12.9781 13.1304 13.1304 k = 0.6661-0.7545-0.4582 ( 2118 PWs) bands (ev): -40.2822 -40.2822 -19.4909 -19.4909 -18.9536 -18.9536 -18.7329 -18.7329 -9.5314 -9.5314 -9.0370 -9.0370 2.8691 2.8691 3.3825 3.3825 4.4644 4.4644 4.6990 4.6990 4.7492 4.7492 5.2828 5.2828 6.7837 6.7837 7.7118 7.7118 7.9140 7.9140 8.0812 8.0812 8.5851 8.5851 10.8554 10.8554 12.2736 12.2736 12.9778 12.9778 13.0891 13.0891 k = 0.6827-0.7472-0.4537 ( 2116 PWs) bands (ev): -40.2822 -40.2822 -19.4907 -19.4907 -18.9535 -18.9535 -18.7329 -18.7329 -9.5425 -9.5425 -9.0253 -9.0253 2.8428 2.8428 3.4022 3.4022 4.4655 4.4655 4.6798 4.6798 4.7662 4.7662 5.3109 5.3109 6.7820 6.7820 7.7107 7.7107 7.9008 7.9008 8.0700 8.0700 8.5761 8.5761 10.8810 10.8810 12.2788 12.2788 12.9775 12.9775 13.0461 13.0461 k = 0.6993-0.7398-0.4493 ( 2120 PWs) bands (ev): -40.2822 -40.2822 -19.4905 -19.4905 -18.9535 -18.9535 -18.7329 -18.7329 -9.5535 -9.5535 -9.0136 -9.0136 2.8173 2.8173 3.4216 3.4216 4.4626 4.4626 4.6608 4.6608 4.7881 4.7881 5.3389 5.3389 6.7801 6.7801 7.7092 7.7092 7.8861 7.8861 8.0581 8.0581 8.5673 8.5673 10.9084 10.9084 12.2843 12.2843 12.9764 12.9764 13.0023 13.0023 k = 0.7160-0.7325-0.4448 ( 2124 PWs) bands (ev): -40.2822 -40.2822 -19.4903 -19.4903 -18.9534 -18.9534 -18.7330 -18.7330 -9.5645 -9.5645 -9.0021 -9.0021 2.7926 2.7926 3.4405 3.4405 4.4560 4.4560 4.6424 4.6424 4.8144 4.8144 5.3666 5.3666 6.7781 6.7781 7.7074 7.7074 7.8702 7.8702 8.0455 8.0455 8.5590 8.5590 10.9375 10.9375 12.2898 12.2898 12.9544 12.9544 12.9787 12.9787 k = 0.7326-0.7252-0.4404 ( 2120 PWs) bands (ev): -40.2823 -40.2823 -19.4900 -19.4900 -18.9534 -18.9534 -18.7329 -18.7329 -9.5750 -9.5750 -8.9908 -8.9908 2.7689 2.7689 3.4590 3.4590 4.4462 4.4462 4.6249 4.6249 4.8441 4.8441 5.3940 5.3940 6.7760 6.7760 7.7053 7.7053 7.8533 7.8533 8.0325 8.0325 8.5512 8.5512 10.9681 10.9681 12.2952 12.2952 12.9095 12.9095 12.9775 12.9775 k = 0.7492-0.7178-0.4359 ( 2123 PWs) bands (ev): -40.2823 -40.2823 -19.4897 -19.4897 -18.9533 -18.9533 -18.7329 -18.7329 -9.5853 -9.5853 -8.9799 -8.9799 2.7461 2.7461 3.4773 3.4773 4.4337 4.4337 4.6080 4.6080 4.8765 4.8765 5.4207 5.4207 6.7738 6.7738 7.7025 7.7025 7.8356 7.8356 8.0191 8.0191 8.5438 8.5438 11.0000 11.0000 12.3002 12.3002 12.8643 12.8643 12.9770 12.9770 k = 0.7658-0.7105-0.4314 ( 2126 PWs) bands (ev): -40.2823 -40.2823 -19.4894 -19.4894 -18.9533 -18.9533 -18.7330 -18.7330 -9.5951 -9.5951 -8.9695 -8.9695 2.7245 2.7245 3.4953 3.4953 4.4192 4.4192 4.5920 4.5920 4.9108 4.9108 5.4468 5.4468 6.7715 6.7715 7.6990 7.6990 7.8175 7.8175 8.0054 8.0054 8.5371 8.5371 11.0331 11.0331 12.3045 12.3045 12.8199 12.8199 12.9766 12.9766 k = 0.7824-0.7032-0.4270 ( 2128 PWs) bands (ev): -40.2824 -40.2824 -19.4891 -19.4891 -18.9532 -18.9532 -18.7330 -18.7330 -9.6044 -9.6044 -8.9596 -8.9596 2.7041 2.7041 3.5129 3.5129 4.4030 4.4030 4.5769 4.5769 4.9463 4.9463 5.4721 5.4721 6.7691 6.7691 7.6943 7.6943 7.7998 7.7998 7.9918 7.9918 8.5309 8.5309 11.0672 11.0672 12.3077 12.3077 12.7772 12.7772 12.9762 12.9762 k = 0.7990-0.6958-0.4225 ( 2133 PWs) bands (ev): -40.2824 -40.2824 -19.4888 -19.4888 -18.9532 -18.9532 -18.7330 -18.7330 -9.6132 -9.6132 -8.9504 -8.9504 2.6849 2.6849 3.5303 3.5303 4.3855 4.3855 4.5626 4.5626 4.9824 4.9824 5.4965 5.4965 6.7667 6.7667 7.6880 7.6880 7.7830 7.7830 7.9783 7.9783 8.5252 8.5252 11.1021 11.1021 12.3092 12.3092 12.7370 12.7370 12.9757 12.9757 k = 0.8156-0.6885-0.4181 ( 2138 PWs) bands (ev): -40.2825 -40.2825 -19.4885 -19.4885 -18.9531 -18.9531 -18.7330 -18.7330 -9.6213 -9.6213 -8.9418 -8.9418 2.6671 2.6671 3.5474 3.5474 4.3671 4.3671 4.5493 4.5493 5.0184 5.0184 5.5198 5.5198 6.7643 6.7643 7.6798 7.6798 7.7680 7.7680 7.9651 7.9651 8.5199 8.5199 11.1376 11.1376 12.3081 12.3081 12.7003 12.7003 12.9753 12.9753 Writing output data file ScCuO2.save init_run : 0.33s CPU 0.56s WALL ( 1 calls) electrons : 157.88s CPU 160.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 157.86s CPU 160.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 375 calls) cegterg : 142.31s CPU 143.89s WALL ( 431 calls) Called by sum_band: Called by *egterg: h_psi : 108.43s CPU 109.57s WALL ( 6836 calls) s_psi : 3.53s CPU 3.58s WALL ( 6836 calls) g_psi : 0.12s CPU 0.11s WALL ( 6030 calls) cdiaghg : 35.77s CPU 36.24s WALL ( 6405 calls) cegterg:over : 2.95s CPU 3.02s WALL ( 6030 calls) cegterg:upda : 2.05s CPU 2.18s WALL ( 6030 calls) cegterg:last : 1.34s CPU 1.32s WALL ( 1308 calls) cdiaghg:chol : 1.94s CPU 1.96s WALL ( 6405 calls) cdiaghg:inve : 1.22s CPU 1.14s WALL ( 6405 calls) cdiaghg:para : 1.95s CPU 2.09s WALL ( 12810 calls) Called by h_psi: h_psi:vloc : 102.85s CPU 103.97s WALL ( 6836 calls) h_psi:vnl : 5.48s CPU 5.50s WALL ( 6836 calls) add_vuspsi : 2.89s CPU 2.87s WALL ( 6836 calls) General routines calbec : 2.59s CPU 2.61s WALL ( 6836 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 94.06s CPU 95.22s WALL ( 716492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.22s WALL ( 750 calls) Parallel routines fft_scatter : 23.09s CPU 23.19s WALL ( 716515 calls) PWSCF : 2m50.77s CPU 3m20.78s WALL This run was terminated on: 18: 6:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=