Program PWSCF v.5.1.1 starts on 27Aug2015 at 7:31:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnC.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 13 4 469 204 35 Max 23 14 6 474 219 38 Sum 1057 625 199 22659 10177 1759 bravais-lattice index = 14 lattice parameter (alat) = 6.8549 a.u. unit-cell volume = 227.7659 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.854901 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0080645 -0.0046561 0.0065847), wk = 0.0024510 k( 3) = ( 0.0161290 -0.0093121 0.0131693), wk = 0.0024510 k( 4) = ( 0.0241936 -0.0139682 0.0197540), wk = 0.0024510 k( 5) = ( 0.0322581 -0.0186242 0.0263386), wk = 0.0024510 k( 6) = ( 0.0403226 -0.0232803 0.0329232), wk = 0.0024510 k( 7) = ( 0.0483871 -0.0279363 0.0395079), wk = 0.0024510 k( 8) = ( 0.0564516 -0.0325924 0.0460925), wk = 0.0024510 k( 9) = ( 0.0645161 -0.0372484 0.0526772), wk = 0.0024510 k( 10) = ( 0.0725806 -0.0419045 0.0592619), wk = 0.0024510 k( 11) = ( 0.0806452 -0.0465605 0.0658465), wk = 0.0024510 k( 12) = ( 0.0887097 -0.0512166 0.0724312), wk = 0.0024510 k( 13) = ( 0.0967742 -0.0558726 0.0790158), wk = 0.0024510 k( 14) = ( 0.1048387 -0.0605287 0.0856004), wk = 0.0024510 k( 15) = ( 0.1129032 -0.0651847 0.0921851), wk = 0.0024510 k( 16) = ( 0.1209677 -0.0698408 0.0987697), wk = 0.0024510 k( 17) = ( 0.1290323 -0.0744968 0.1053544), wk = 0.0024510 k( 18) = ( 0.1370968 -0.0791529 0.1119390), wk = 0.0024510 k( 19) = ( 0.1451613 -0.0838089 0.1185237), wk = 0.0024510 k( 20) = ( 0.1532258 -0.0884650 0.1251083), wk = 0.0024510 k( 21) = ( 0.1612903 -0.0931210 0.1316930), wk = 0.0024510 k( 22) = ( 0.1693548 -0.0977771 0.1382776), wk = 0.0024510 k( 23) = ( 0.1774194 -0.1024331 0.1448623), wk = 0.0024510 k( 24) = ( 0.1854839 -0.1070892 0.1514469), wk = 0.0024510 k( 25) = ( 0.1935484 -0.1117452 0.1580316), wk = 0.0024510 k( 26) = ( 0.2016129 -0.1164013 0.1646162), wk = 0.0024510 k( 27) = ( 0.2096774 -0.1210573 0.1712009), wk = 0.0024510 k( 28) = ( 0.2177419 -0.1257134 0.1777855), wk = 0.0024510 k( 29) = ( 0.2258064 -0.1303694 0.1843702), wk = 0.0024510 k( 30) = ( 0.2338710 -0.1350255 0.1909548), wk = 0.0024510 k( 31) = ( 0.2419355 -0.1396815 0.1975395), wk = 0.0024510 k( 32) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0024510 k( 33) = ( 0.2580645 -0.1489936 0.2107088), wk = 0.0024510 k( 34) = ( 0.2661290 -0.1536497 0.2172934), wk = 0.0024510 k( 35) = ( 0.2741936 -0.1583057 0.2238781), wk = 0.0024510 k( 36) = ( 0.2822581 -0.1629618 0.2304627), wk = 0.0024510 k( 37) = ( 0.2903226 -0.1676178 0.2370474), wk = 0.0024510 k( 38) = ( 0.2983871 -0.1722739 0.2436320), wk = 0.0024510 k( 39) = ( 0.3064516 -0.1769299 0.2502167), wk = 0.0024510 k( 40) = ( 0.3145161 -0.1815860 0.2568013), wk = 0.0024510 k( 41) = ( 0.3225807 -0.1862420 0.2633860), wk = 0.0024510 k( 42) = ( 0.3306452 -0.1908981 0.2699706), wk = 0.0024510 k( 43) = ( 0.3387097 -0.1955541 0.2765553), wk = 0.0024510 k( 44) = ( 0.3467742 -0.2002102 0.2831399), wk = 0.0024510 k( 45) = ( 0.3548387 -0.2048662 0.2897246), wk = 0.0024510 k( 46) = ( 0.3629032 -0.2095223 0.2963092), wk = 0.0024510 k( 47) = ( 0.3709677 -0.2141783 0.3028939), wk = 0.0024510 k( 48) = ( 0.3790323 -0.2188344 0.3094785), wk = 0.0024510 k( 49) = ( 0.3870968 -0.2234904 0.3160632), wk = 0.0024510 k( 50) = ( 0.3951613 -0.2281465 0.3226478), wk = 0.0024510 k( 51) = ( 0.4032258 -0.2328025 0.3292325), wk = 0.0024510 k( 52) = ( 0.4112903 -0.2374586 0.3358171), wk = 0.0024510 k( 53) = ( 0.4193548 -0.2421146 0.3424018), wk = 0.0024510 k( 54) = ( 0.4274193 -0.2467707 0.3489864), wk = 0.0024510 k( 55) = ( 0.4354839 -0.2514267 0.3555711), wk = 0.0024510 k( 56) = ( 0.4435484 -0.2560828 0.3621557), wk = 0.0024510 k( 57) = ( 0.4516129 -0.2607388 0.3687404), wk = 0.0024510 k( 58) = ( 0.4596774 -0.2653949 0.3753250), wk = 0.0024510 k( 59) = ( 0.4677419 -0.2700509 0.3819097), wk = 0.0024510 k( 60) = ( 0.4758064 -0.2747070 0.3884943), wk = 0.0024510 k( 61) = ( 0.4838710 -0.2793630 0.3950790), wk = 0.0024510 k( 62) = ( 0.4919355 -0.2840191 0.4016636), wk = 0.0024510 k( 63) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024510 k( 64) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024510 k( 65) = ( 0.5000000 -0.2793630 0.4148329), wk = 0.0024510 k( 66) = ( 0.5000000 -0.2700509 0.4214176), wk = 0.0024510 k( 67) = ( 0.5000000 -0.2607388 0.4280022), wk = 0.0024510 k( 68) = ( 0.5000000 -0.2514267 0.4345869), wk = 0.0024510 k( 69) = ( 0.5000000 -0.2421146 0.4411715), wk = 0.0024510 k( 70) = ( 0.5000000 -0.2328025 0.4477562), wk = 0.0024510 k( 71) = ( 0.5000000 -0.2234904 0.4543408), wk = 0.0024510 k( 72) = ( 0.5000000 -0.2141783 0.4609255), wk = 0.0024510 k( 73) = ( 0.5000000 -0.2048662 0.4675101), wk = 0.0024510 k( 74) = ( 0.5000000 -0.1955541 0.4740948), wk = 0.0024510 k( 75) = ( 0.5000000 -0.1862420 0.4806794), wk = 0.0024510 k( 76) = ( 0.5000000 -0.1769299 0.4872641), wk = 0.0024510 k( 77) = ( 0.5000000 -0.1676178 0.4938487), wk = 0.0024510 k( 78) = ( 0.5000000 -0.1583057 0.5004334), wk = 0.0024510 k( 79) = ( 0.5000000 -0.1489936 0.5070180), wk = 0.0024510 k( 80) = ( 0.5000000 -0.1396815 0.5136027), wk = 0.0024510 k( 81) = ( 0.5000000 -0.1303694 0.5201873), wk = 0.0024510 k( 82) = ( 0.5000000 -0.1210573 0.5267720), wk = 0.0024510 k( 83) = ( 0.5000000 -0.1117452 0.5333566), wk = 0.0024510 k( 84) = ( 0.5000000 -0.1024331 0.5399413), wk = 0.0024510 k( 85) = ( 0.5000000 -0.0931210 0.5465259), wk = 0.0024510 k( 86) = ( 0.5000000 -0.0838089 0.5531106), wk = 0.0024510 k( 87) = ( 0.5000000 -0.0744968 0.5596952), wk = 0.0024510 k( 88) = ( 0.5000000 -0.0651847 0.5662799), wk = 0.0024510 k( 89) = ( 0.5000000 -0.0558726 0.5728645), wk = 0.0024510 k( 90) = ( 0.5000000 -0.0465605 0.5794492), wk = 0.0024510 k( 91) = ( 0.5000000 -0.0372484 0.5860338), wk = 0.0024510 k( 92) = ( 0.5000000 -0.0279363 0.5926185), wk = 0.0024510 k( 93) = ( 0.5000000 -0.0186242 0.5992031), wk = 0.0024510 k( 94) = ( 0.5000000 -0.0093121 0.6057878), wk = 0.0024510 k( 95) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024510 k( 96) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024510 k( 97) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0024510 k( 98) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0024510 k( 99) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0024510 k( 100) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0024510 k( 101) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0024510 k( 102) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0024510 k( 103) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0024510 k( 104) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0024510 k( 105) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0024510 k( 106) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0024510 k( 107) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0024510 k( 108) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0024510 k( 109) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0024510 k( 110) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0024510 k( 111) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0024510 k( 112) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0024510 k( 113) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0024510 k( 114) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0024510 k( 115) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0024510 k( 116) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0024510 k( 117) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0024510 k( 118) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024510 k( 119) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024510 k( 120) = ( 0.3692308 0.2131755 0.6029513), wk = 0.0024510 k( 121) = ( 0.3634615 0.2098446 0.5935302), wk = 0.0024510 k( 122) = ( 0.3576923 0.2065138 0.5841091), wk = 0.0024510 k( 123) = ( 0.3519231 0.2031829 0.5746880), wk = 0.0024510 k( 124) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0024510 k( 125) = ( 0.3403846 0.1965212 0.5558457), wk = 0.0024510 k( 126) = ( 0.3346154 0.1931903 0.5464246), wk = 0.0024510 k( 127) = ( 0.3288462 0.1898594 0.5370035), wk = 0.0024510 k( 128) = ( 0.3230769 0.1865285 0.5275824), wk = 0.0024510 k( 129) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0024510 k( 130) = ( 0.3115385 0.1798668 0.5087402), wk = 0.0024510 k( 131) = ( 0.3057692 0.1765359 0.4993191), wk = 0.0024510 k( 132) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0024510 k( 133) = ( 0.2942308 0.1698742 0.4804768), wk = 0.0024510 k( 134) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0024510 k( 135) = ( 0.2826923 0.1632125 0.4616346), wk = 0.0024510 k( 136) = ( 0.2769231 0.1598816 0.4522135), wk = 0.0024510 k( 137) = ( 0.2711538 0.1565507 0.4427924), wk = 0.0024510 k( 138) = ( 0.2653846 0.1532199 0.4333713), wk = 0.0024510 k( 139) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0024510 k( 140) = ( 0.2538461 0.1465581 0.4145290), wk = 0.0024510 k( 141) = ( 0.2480769 0.1432273 0.4051079), wk = 0.0024510 k( 142) = ( 0.2423077 0.1398964 0.3956868), wk = 0.0024510 k( 143) = ( 0.2365385 0.1365655 0.3862657), wk = 0.0024510 k( 144) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0024510 k( 145) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0024510 k( 146) = ( 0.2192308 0.1265729 0.3580023), wk = 0.0024510 k( 147) = ( 0.2134615 0.1232421 0.3485812), wk = 0.0024510 k( 148) = ( 0.2076923 0.1199112 0.3391601), wk = 0.0024510 k( 149) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0024510 k( 150) = ( 0.1961538 0.1132495 0.3203179), wk = 0.0024510 k( 151) = ( 0.1903846 0.1099186 0.3108968), wk = 0.0024510 k( 152) = ( 0.1846154 0.1065877 0.3014757), wk = 0.0024510 k( 153) = ( 0.1788462 0.1032569 0.2920546), wk = 0.0024510 k( 154) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0024510 k( 155) = ( 0.1673077 0.0965951 0.2732123), wk = 0.0024510 k( 156) = ( 0.1615385 0.0932643 0.2637912), wk = 0.0024510 k( 157) = ( 0.1557692 0.0899334 0.2543701), wk = 0.0024510 k( 158) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0024510 k( 159) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0024510 k( 160) = ( 0.1384615 0.0799408 0.2261067), wk = 0.0024510 k( 161) = ( 0.1326923 0.0766099 0.2166856), wk = 0.0024510 k( 162) = ( 0.1269231 0.0732791 0.2072645), wk = 0.0024510 k( 163) = ( 0.1211538 0.0699482 0.1978434), wk = 0.0024510 k( 164) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0024510 k( 165) = ( 0.1096154 0.0632865 0.1790012), wk = 0.0024510 k( 166) = ( 0.1038461 0.0599556 0.1695801), wk = 0.0024510 k( 167) = ( 0.0980769 0.0566247 0.1601590), wk = 0.0024510 k( 168) = ( 0.0923077 0.0532939 0.1507378), wk = 0.0024510 k( 169) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0024510 k( 170) = ( 0.0807692 0.0466321 0.1318956), wk = 0.0024510 k( 171) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0024510 k( 172) = ( 0.0692308 0.0399704 0.1130534), wk = 0.0024510 k( 173) = ( 0.0634615 0.0366395 0.1036323), wk = 0.0024510 k( 174) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0024510 k( 175) = ( 0.0519231 0.0299778 0.0847900), wk = 0.0024510 k( 176) = ( 0.0461539 0.0266469 0.0753689), wk = 0.0024510 k( 177) = ( 0.0403846 0.0233161 0.0659478), wk = 0.0024510 k( 178) = ( 0.0346154 0.0199852 0.0565267), wk = 0.0024510 k( 179) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0024510 k( 180) = ( 0.0230769 0.0133235 0.0376845), wk = 0.0024510 k( 181) = ( 0.0173077 0.0099926 0.0282633), wk = 0.0024510 k( 182) = ( 0.0115385 0.0066617 0.0188422), wk = 0.0024510 k( 183) = ( 0.0057692 0.0033309 0.0094211), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 186) = ( 0.0092593 0.0053458 0.0037801), wk = 0.0024510 k( 187) = ( 0.0185185 0.0106917 0.0075602), wk = 0.0024510 k( 188) = ( 0.0277778 0.0160375 0.0113402), wk = 0.0024510 k( 189) = ( 0.0370370 0.0213833 0.0151203), wk = 0.0024510 k( 190) = ( 0.0462963 0.0267292 0.0189004), wk = 0.0024510 k( 191) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0024510 k( 192) = ( 0.0648148 0.0374208 0.0264605), wk = 0.0024510 k( 193) = ( 0.0740741 0.0427667 0.0302406), wk = 0.0024510 k( 194) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0024510 k( 195) = ( 0.0925926 0.0534584 0.0378008), wk = 0.0024510 k( 196) = ( 0.1018518 0.0588042 0.0415808), wk = 0.0024510 k( 197) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0024510 k( 198) = ( 0.1203704 0.0694959 0.0491410), wk = 0.0024510 k( 199) = ( 0.1296296 0.0748417 0.0529211), wk = 0.0024510 k( 200) = ( 0.1388889 0.0801875 0.0567012), wk = 0.0024510 k( 201) = ( 0.1481482 0.0855334 0.0604812), wk = 0.0024510 k( 202) = ( 0.1574074 0.0908792 0.0642613), wk = 0.0024510 k( 203) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0024510 k( 204) = ( 0.1759259 0.1015709 0.0718215), wk = 0.0024510 k( 205) = ( 0.1851852 0.1069167 0.0756015), wk = 0.0024510 k( 206) = ( 0.1944444 0.1122625 0.0793816), wk = 0.0024510 k( 207) = ( 0.2037037 0.1176084 0.0831617), wk = 0.0024510 k( 208) = ( 0.2129630 0.1229542 0.0869418), wk = 0.0024510 k( 209) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0024510 k( 210) = ( 0.2314815 0.1336459 0.0945019), wk = 0.0024510 k( 211) = ( 0.2407407 0.1389917 0.0982820), wk = 0.0024510 k( 212) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0024510 k( 213) = ( 0.2592593 0.1496834 0.1058421), wk = 0.0024510 k( 214) = ( 0.2685185 0.1550292 0.1096222), wk = 0.0024510 k( 215) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0024510 k( 216) = ( 0.2870370 0.1657209 0.1171824), wk = 0.0024510 k( 217) = ( 0.2962963 0.1710667 0.1209625), wk = 0.0024510 k( 218) = ( 0.3055556 0.1764126 0.1247425), wk = 0.0024510 k( 219) = ( 0.3148148 0.1817584 0.1285226), wk = 0.0024510 k( 220) = ( 0.3240741 0.1871043 0.1323027), wk = 0.0024510 k( 221) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0024510 k( 222) = ( 0.3425926 0.1977959 0.1398628), wk = 0.0024510 k( 223) = ( 0.3518519 0.2031418 0.1436429), wk = 0.0024510 k( 224) = ( 0.3611111 0.2084876 0.1474230), wk = 0.0024510 k( 225) = ( 0.3703704 0.2138334 0.1512031), wk = 0.0024510 k( 226) = ( 0.3796296 0.2191793 0.1549831), wk = 0.0024510 k( 227) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0024510 k( 228) = ( 0.3981481 0.2298709 0.1625433), wk = 0.0024510 k( 229) = ( 0.4074074 0.2352168 0.1663234), wk = 0.0024510 k( 230) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0024510 k( 231) = ( 0.4259259 0.2459085 0.1738835), wk = 0.0024510 k( 232) = ( 0.4351852 0.2512543 0.1776636), wk = 0.0024510 k( 233) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0024510 k( 234) = ( 0.4537037 0.2619460 0.1852238), wk = 0.0024510 k( 235) = ( 0.4629630 0.2672918 0.1890038), wk = 0.0024510 k( 236) = ( 0.4722222 0.2726376 0.1927839), wk = 0.0024510 k( 237) = ( 0.4814815 0.2779835 0.1965640), wk = 0.0024510 k( 238) = ( 0.4907407 0.2833293 0.2003441), wk = 0.0024510 k( 239) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024510 k( 240) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024510 k( 241) = ( 0.5032895 0.2791792 0.2094958), wk = 0.0024510 k( 242) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0024510 k( 243) = ( 0.5098684 0.2601875 0.2202392), wk = 0.0024510 k( 244) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0024510 k( 245) = ( 0.5164474 0.2411957 0.2309826), wk = 0.0024510 k( 246) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0024510 k( 247) = ( 0.5230263 0.2222039 0.2417260), wk = 0.0024510 k( 248) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0024510 k( 249) = ( 0.5296053 0.2032121 0.2524693), wk = 0.0024510 k( 250) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0024510 k( 251) = ( 0.5361842 0.1842203 0.2632127), wk = 0.0024510 k( 252) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0024510 k( 253) = ( 0.5427632 0.1652285 0.2739561), wk = 0.0024510 k( 254) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0024510 k( 255) = ( 0.5493421 0.1462367 0.2846995), wk = 0.0024510 k( 256) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0024510 k( 257) = ( 0.5559211 0.1272450 0.2954428), wk = 0.0024510 k( 258) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0024510 k( 259) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0024510 k( 260) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0024510 k( 261) = ( 0.5690789 0.0892614 0.3169296), wk = 0.0024510 k( 262) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0024510 k( 263) = ( 0.5756579 0.0702696 0.3276730), wk = 0.0024510 k( 264) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0024510 k( 265) = ( 0.5822368 0.0512778 0.3384163), wk = 0.0024510 k( 266) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0024510 k( 267) = ( 0.5888158 0.0322860 0.3491597), wk = 0.0024510 k( 268) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0024510 k( 269) = ( 0.5953947 0.0132943 0.3599031), wk = 0.0024510 k( 270) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0024510 k( 271) = ( 0.6019737 -0.0056975 0.3706465), wk = 0.0024510 k( 272) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0024510 k( 273) = ( 0.6085526 -0.0246893 0.3813898), wk = 0.0024510 k( 274) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0024510 k( 275) = ( 0.6151316 -0.0436811 0.3921332), wk = 0.0024510 k( 276) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0024510 k( 277) = ( 0.6217105 -0.0626729 0.4028766), wk = 0.0024510 k( 278) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024510 k( 279) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024510 k( 280) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0024510 k( 281) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0024510 k( 282) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0024510 k( 283) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0024510 k( 284) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0024510 k( 285) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0024510 k( 286) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0024510 k( 287) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0024510 k( 288) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0024510 k( 289) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0024510 k( 290) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0024510 k( 291) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0024510 k( 292) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0024510 k( 293) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0024510 k( 294) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0024510 k( 295) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0024510 k( 296) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0024510 k( 297) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0024510 k( 298) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0024510 k( 299) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0024510 k( 300) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0024510 k( 301) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024510 k( 302) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024510 k( 303) = ( 0.5000000 0.0065608 0.6030941), wk = 0.0024510 k( 304) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0024510 k( 305) = ( 0.5000000 0.0196824 0.5845373), wk = 0.0024510 k( 306) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0024510 k( 307) = ( 0.5000000 0.0328040 0.5659806), wk = 0.0024510 k( 308) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0024510 k( 309) = ( 0.5000000 0.0459256 0.5474238), wk = 0.0024510 k( 310) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0024510 k( 311) = ( 0.5000000 0.0590472 0.5288671), wk = 0.0024510 k( 312) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0024510 k( 313) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0024510 k( 314) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0024510 k( 315) = ( 0.5000000 0.0852904 0.4917536), wk = 0.0024510 k( 316) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0024510 k( 317) = ( 0.5000000 0.0984120 0.4731969), wk = 0.0024510 k( 318) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0024510 k( 319) = ( 0.5000000 0.1115336 0.4546401), wk = 0.0024510 k( 320) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0024510 k( 321) = ( 0.5000000 0.1246552 0.4360834), wk = 0.0024510 k( 322) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0024510 k( 323) = ( 0.5000000 0.1377768 0.4175267), wk = 0.0024510 k( 324) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0024510 k( 325) = ( 0.5000000 0.1508984 0.3989699), wk = 0.0024510 k( 326) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0024510 k( 327) = ( 0.5000000 0.1640200 0.3804132), wk = 0.0024510 k( 328) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0024510 k( 329) = ( 0.5000000 0.1771416 0.3618564), wk = 0.0024510 k( 330) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0024510 k( 331) = ( 0.5000000 0.1902632 0.3432997), wk = 0.0024510 k( 332) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0024510 k( 333) = ( 0.5000000 0.2033847 0.3247430), wk = 0.0024510 k( 334) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0024510 k( 335) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0024510 k( 336) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0024510 k( 337) = ( 0.5000000 0.2296280 0.2876295), wk = 0.0024510 k( 338) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0024510 k( 339) = ( 0.5000000 0.2427495 0.2690727), wk = 0.0024510 k( 340) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0024510 k( 341) = ( 0.5000000 0.2558711 0.2505160), wk = 0.0024510 k( 342) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0024510 k( 343) = ( 0.5000000 0.2689927 0.2319592), wk = 0.0024510 k( 344) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0024510 k( 345) = ( 0.5000000 0.2821143 0.2134025), wk = 0.0024510 k( 346) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024510 k( 347) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024510 k( 348) = ( 0.4967105 0.2867760 0.2148675), wk = 0.0024510 k( 349) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0024510 k( 350) = ( 0.4901316 0.2829776 0.2363543), wk = 0.0024510 k( 351) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0024510 k( 352) = ( 0.4835526 0.2791792 0.2578410), wk = 0.0024510 k( 353) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0024510 k( 354) = ( 0.4769737 0.2753809 0.2793278), wk = 0.0024510 k( 355) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0024510 k( 356) = ( 0.4703947 0.2715825 0.3008145), wk = 0.0024510 k( 357) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0024510 k( 358) = ( 0.4638158 0.2677842 0.3223013), wk = 0.0024510 k( 359) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0024510 k( 360) = ( 0.4572368 0.2639858 0.3437880), wk = 0.0024510 k( 361) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0024510 k( 362) = ( 0.4506579 0.2601875 0.3652748), wk = 0.0024510 k( 363) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0024510 k( 364) = ( 0.4440789 0.2563891 0.3867615), wk = 0.0024510 k( 365) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0024510 k( 366) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0024510 k( 367) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0024510 k( 368) = ( 0.4309211 0.2487924 0.4297350), wk = 0.0024510 k( 369) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0024510 k( 370) = ( 0.4243421 0.2449940 0.4512218), wk = 0.0024510 k( 371) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0024510 k( 372) = ( 0.4177632 0.2411957 0.4727085), wk = 0.0024510 k( 373) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0024510 k( 374) = ( 0.4111842 0.2373973 0.4941953), wk = 0.0024510 k( 375) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0024510 k( 376) = ( 0.4046053 0.2335990 0.5156820), wk = 0.0024510 k( 377) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0024510 k( 378) = ( 0.3980263 0.2298006 0.5371688), wk = 0.0024510 k( 379) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0024510 k( 380) = ( 0.3914474 0.2260022 0.5586556), wk = 0.0024510 k( 381) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0024510 k( 382) = ( 0.3848684 0.2222039 0.5801423), wk = 0.0024510 k( 383) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0024510 k( 384) = ( 0.3782895 0.2184055 0.6016291), wk = 0.0024510 k( 385) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024510 k( 386) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024510 k( 387) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0024510 k( 388) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0024510 k( 389) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0024510 k( 390) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0024510 k( 391) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0024510 k( 392) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0024510 k( 393) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0024510 k( 394) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0024510 k( 395) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0024510 k( 396) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0024510 k( 397) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0024510 k( 398) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0024510 k( 399) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0024510 k( 400) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0024510 k( 401) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0024510 k( 402) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0024510 k( 403) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0024510 k( 404) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0024510 k( 405) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0024510 k( 406) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0024510 k( 407) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0024510 k( 408) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0080645 -0.0000000 0.0080645), wk = 0.0024510 k( 3) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0024510 k( 4) = ( 0.0241936 -0.0000000 0.0241936), wk = 0.0024510 k( 5) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0024510 k( 6) = ( 0.0403226 0.0000000 0.0403226), wk = 0.0024510 k( 7) = ( 0.0483871 -0.0000000 0.0483871), wk = 0.0024510 k( 8) = ( 0.0564516 0.0000000 0.0564516), wk = 0.0024510 k( 9) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0024510 k( 10) = ( 0.0725806 -0.0000000 0.0725806), wk = 0.0024510 k( 11) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0024510 k( 12) = ( 0.0887097 0.0000000 0.0887097), wk = 0.0024510 k( 13) = ( 0.0967742 -0.0000000 0.0967742), wk = 0.0024510 k( 14) = ( 0.1048387 -0.0000000 0.1048387), wk = 0.0024510 k( 15) = ( 0.1129032 0.0000000 0.1129032), wk = 0.0024510 k( 16) = ( 0.1209677 0.0000000 0.1209677), wk = 0.0024510 k( 17) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0024510 k( 18) = ( 0.1370968 0.0000000 0.1370968), wk = 0.0024510 k( 19) = ( 0.1451613 -0.0000000 0.1451613), wk = 0.0024510 k( 20) = ( 0.1532258 0.0000000 0.1532258), wk = 0.0024510 k( 21) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0024510 k( 22) = ( 0.1693548 0.0000000 0.1693548), wk = 0.0024510 k( 23) = ( 0.1774194 0.0000000 0.1774194), wk = 0.0024510 k( 24) = ( 0.1854839 0.0000000 0.1854839), wk = 0.0024510 k( 25) = ( 0.1935484 -0.0000000 0.1935484), wk = 0.0024510 k( 26) = ( 0.2016129 0.0000000 0.2016129), wk = 0.0024510 k( 27) = ( 0.2096774 -0.0000000 0.2096774), wk = 0.0024510 k( 28) = ( 0.2177419 -0.0000000 0.2177419), wk = 0.0024510 k( 29) = ( 0.2258064 0.0000000 0.2258065), wk = 0.0024510 k( 30) = ( 0.2338710 0.0000000 0.2338710), wk = 0.0024510 k( 31) = ( 0.2419355 0.0000000 0.2419355), wk = 0.0024510 k( 32) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024510 k( 33) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0024510 k( 34) = ( 0.2661290 0.0000000 0.2661290), wk = 0.0024510 k( 35) = ( 0.2741936 0.0000000 0.2741936), wk = 0.0024510 k( 36) = ( 0.2822581 0.0000000 0.2822581), wk = 0.0024510 k( 37) = ( 0.2903226 -0.0000000 0.2903226), wk = 0.0024510 k( 38) = ( 0.2983871 0.0000000 0.2983871), wk = 0.0024510 k( 39) = ( 0.3064516 -0.0000000 0.3064516), wk = 0.0024510 k( 40) = ( 0.3145161 0.0000000 0.3145161), wk = 0.0024510 k( 41) = ( 0.3225807 0.0000000 0.3225807), wk = 0.0024510 k( 42) = ( 0.3306452 0.0000000 0.3306452), wk = 0.0024510 k( 43) = ( 0.3387097 0.0000000 0.3387097), wk = 0.0024510 k( 44) = ( 0.3467742 0.0000000 0.3467742), wk = 0.0024510 k( 45) = ( 0.3548387 0.0000000 0.3548387), wk = 0.0024510 k( 46) = ( 0.3629032 0.0000000 0.3629032), wk = 0.0024510 k( 47) = ( 0.3709677 0.0000000 0.3709677), wk = 0.0024510 k( 48) = ( 0.3790323 0.0000000 0.3790323), wk = 0.0024510 k( 49) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0024510 k( 50) = ( 0.3951613 0.0000000 0.3951613), wk = 0.0024510 k( 51) = ( 0.4032258 -0.0000000 0.4032258), wk = 0.0024510 k( 52) = ( 0.4112903 -0.0000000 0.4112903), wk = 0.0024510 k( 53) = ( 0.4193548 -0.0000000 0.4193548), wk = 0.0024510 k( 54) = ( 0.4274193 -0.0000000 0.4274193), wk = 0.0024510 k( 55) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0024510 k( 56) = ( 0.4435484 0.0000000 0.4435484), wk = 0.0024510 k( 57) = ( 0.4516129 0.0000000 0.4516129), wk = 0.0024510 k( 58) = ( 0.4596774 0.0000000 0.4596774), wk = 0.0024510 k( 59) = ( 0.4677419 0.0000000 0.4677419), wk = 0.0024510 k( 60) = ( 0.4758064 -0.0000000 0.4758064), wk = 0.0024510 k( 61) = ( 0.4838710 0.0000000 0.4838710), wk = 0.0024510 k( 62) = ( 0.4919355 -0.0000000 0.4919355), wk = 0.0024510 k( 63) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024510 k( 64) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024510 k( 65) = ( 0.5000000 0.0080645 0.5080645), wk = 0.0024510 k( 66) = ( 0.5000000 0.0161290 0.5161290), wk = 0.0024510 k( 67) = ( 0.5000000 0.0241935 0.5241936), wk = 0.0024510 k( 68) = ( 0.5000000 0.0322581 0.5322581), wk = 0.0024510 k( 69) = ( 0.5000000 0.0403226 0.5403226), wk = 0.0024510 k( 70) = ( 0.5000000 0.0483871 0.5483871), wk = 0.0024510 k( 71) = ( 0.5000000 0.0564516 0.5564516), wk = 0.0024510 k( 72) = ( 0.5000000 0.0645161 0.5645161), wk = 0.0024510 k( 73) = ( 0.5000000 0.0725806 0.5725807), wk = 0.0024510 k( 74) = ( 0.5000000 0.0806452 0.5806452), wk = 0.0024510 k( 75) = ( 0.5000000 0.0887097 0.5887097), wk = 0.0024510 k( 76) = ( 0.5000000 0.0967742 0.5967742), wk = 0.0024510 k( 77) = ( 0.5000000 0.1048387 0.6048387), wk = 0.0024510 k( 78) = ( 0.5000000 0.1129032 0.6129032), wk = 0.0024510 k( 79) = ( 0.5000000 0.1209677 0.6209677), wk = 0.0024510 k( 80) = ( 0.5000000 0.1290323 0.6290323), wk = 0.0024510 k( 81) = ( 0.5000000 0.1370968 0.6370968), wk = 0.0024510 k( 82) = ( 0.5000000 0.1451613 0.6451613), wk = 0.0024510 k( 83) = ( 0.5000000 0.1532258 0.6532258), wk = 0.0024510 k( 84) = ( 0.5000000 0.1612903 0.6612903), wk = 0.0024510 k( 85) = ( 0.5000000 0.1693548 0.6693548), wk = 0.0024510 k( 86) = ( 0.5000000 0.1774194 0.6774193), wk = 0.0024510 k( 87) = ( 0.5000000 0.1854839 0.6854839), wk = 0.0024510 k( 88) = ( 0.5000000 0.1935484 0.6935484), wk = 0.0024510 k( 89) = ( 0.5000000 0.2016129 0.7016129), wk = 0.0024510 k( 90) = ( 0.5000000 0.2096774 0.7096774), wk = 0.0024510 k( 91) = ( 0.5000000 0.2177419 0.7177419), wk = 0.0024510 k( 92) = ( 0.5000000 0.2258064 0.7258065), wk = 0.0024510 k( 93) = ( 0.5000000 0.2338710 0.7338710), wk = 0.0024510 k( 94) = ( 0.5000000 0.2419355 0.7419355), wk = 0.0024510 k( 95) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024510 k( 96) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024510 k( 97) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0024510 k( 98) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0024510 k( 99) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0024510 k( 100) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0024510 k( 101) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0024510 k( 102) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0024510 k( 103) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0024510 k( 104) = ( 0.4545455 0.2954546 0.7500000), wk = 0.0024510 k( 105) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0024510 k( 106) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0024510 k( 107) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0024510 k( 108) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0024510 k( 109) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0024510 k( 110) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0024510 k( 111) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0024510 k( 112) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0024510 k( 113) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0024510 k( 114) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0024510 k( 115) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0024510 k( 116) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0024510 k( 117) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0024510 k( 118) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024510 k( 119) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024510 k( 120) = ( 0.3692308 0.3692308 0.7384615), wk = 0.0024510 k( 121) = ( 0.3634615 0.3634615 0.7269231), wk = 0.0024510 k( 122) = ( 0.3576923 0.3576923 0.7153846), wk = 0.0024510 k( 123) = ( 0.3519231 0.3519231 0.7038462), wk = 0.0024510 k( 124) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0024510 k( 125) = ( 0.3403846 0.3403846 0.6807692), wk = 0.0024510 k( 126) = ( 0.3346154 0.3346154 0.6692308), wk = 0.0024510 k( 127) = ( 0.3288462 0.3288462 0.6576923), wk = 0.0024510 k( 128) = ( 0.3230769 0.3230769 0.6461539), wk = 0.0024510 k( 129) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0024510 k( 130) = ( 0.3115385 0.3115385 0.6230769), wk = 0.0024510 k( 131) = ( 0.3057692 0.3057692 0.6115385), wk = 0.0024510 k( 132) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0024510 k( 133) = ( 0.2942308 0.2942308 0.5884615), wk = 0.0024510 k( 134) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0024510 k( 135) = ( 0.2826923 0.2826923 0.5653846), wk = 0.0024510 k( 136) = ( 0.2769231 0.2769231 0.5538462), wk = 0.0024510 k( 137) = ( 0.2711538 0.2711538 0.5423077), wk = 0.0024510 k( 138) = ( 0.2653846 0.2653846 0.5307692), wk = 0.0024510 k( 139) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0024510 k( 140) = ( 0.2538461 0.2538461 0.5076923), wk = 0.0024510 k( 141) = ( 0.2480769 0.2480769 0.4961539), wk = 0.0024510 k( 142) = ( 0.2423077 0.2423077 0.4846154), wk = 0.0024510 k( 143) = ( 0.2365385 0.2365385 0.4730769), wk = 0.0024510 k( 144) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0024510 k( 145) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0024510 k( 146) = ( 0.2192308 0.2192308 0.4384615), wk = 0.0024510 k( 147) = ( 0.2134615 0.2134615 0.4269231), wk = 0.0024510 k( 148) = ( 0.2076923 0.2076923 0.4153846), wk = 0.0024510 k( 149) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0024510 k( 150) = ( 0.1961538 0.1961539 0.3923077), wk = 0.0024510 k( 151) = ( 0.1903846 0.1903846 0.3807692), wk = 0.0024510 k( 152) = ( 0.1846154 0.1846154 0.3692308), wk = 0.0024510 k( 153) = ( 0.1788462 0.1788462 0.3576923), wk = 0.0024510 k( 154) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0024510 k( 155) = ( 0.1673077 0.1673077 0.3346154), wk = 0.0024510 k( 156) = ( 0.1615385 0.1615385 0.3230769), wk = 0.0024510 k( 157) = ( 0.1557692 0.1557692 0.3115385), wk = 0.0024510 k( 158) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0024510 k( 159) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0024510 k( 160) = ( 0.1384615 0.1384615 0.2769231), wk = 0.0024510 k( 161) = ( 0.1326923 0.1326923 0.2653846), wk = 0.0024510 k( 162) = ( 0.1269231 0.1269231 0.2538461), wk = 0.0024510 k( 163) = ( 0.1211538 0.1211539 0.2423077), wk = 0.0024510 k( 164) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0024510 k( 165) = ( 0.1096154 0.1096154 0.2192308), wk = 0.0024510 k( 166) = ( 0.1038461 0.1038461 0.2076923), wk = 0.0024510 k( 167) = ( 0.0980769 0.0980769 0.1961539), wk = 0.0024510 k( 168) = ( 0.0923077 0.0923077 0.1846154), wk = 0.0024510 k( 169) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0024510 k( 170) = ( 0.0807692 0.0807692 0.1615385), wk = 0.0024510 k( 171) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0024510 k( 172) = ( 0.0692308 0.0692308 0.1384615), wk = 0.0024510 k( 173) = ( 0.0634615 0.0634615 0.1269231), wk = 0.0024510 k( 174) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0024510 k( 175) = ( 0.0519231 0.0519231 0.1038461), wk = 0.0024510 k( 176) = ( 0.0461539 0.0461539 0.0923077), wk = 0.0024510 k( 177) = ( 0.0403846 0.0403846 0.0807692), wk = 0.0024510 k( 178) = ( 0.0346154 0.0346154 0.0692308), wk = 0.0024510 k( 179) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0024510 k( 180) = ( 0.0230769 0.0230769 0.0461539), wk = 0.0024510 k( 181) = ( 0.0173077 0.0173077 0.0346154), wk = 0.0024510 k( 182) = ( 0.0115385 0.0115385 0.0230769), wk = 0.0024510 k( 183) = ( 0.0057692 0.0057692 0.0115385), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 186) = ( 0.0092593 0.0092593 0.0092593), wk = 0.0024510 k( 187) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0024510 k( 188) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0024510 k( 189) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0024510 k( 190) = ( 0.0462963 0.0462963 0.0462963), wk = 0.0024510 k( 191) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0024510 k( 192) = ( 0.0648148 0.0648148 0.0648148), wk = 0.0024510 k( 193) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0024510 k( 194) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0024510 k( 195) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0024510 k( 196) = ( 0.1018518 0.1018518 0.1018519), wk = 0.0024510 k( 197) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0024510 k( 198) = ( 0.1203704 0.1203704 0.1203704), wk = 0.0024510 k( 199) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0024510 k( 200) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0024510 k( 201) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0024510 k( 202) = ( 0.1574074 0.1574074 0.1574074), wk = 0.0024510 k( 203) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0024510 k( 204) = ( 0.1759259 0.1759259 0.1759259), wk = 0.0024510 k( 205) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0024510 k( 206) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0024510 k( 207) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0024510 k( 208) = ( 0.2129630 0.2129630 0.2129630), wk = 0.0024510 k( 209) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0024510 k( 210) = ( 0.2314815 0.2314815 0.2314815), wk = 0.0024510 k( 211) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0024510 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024510 k( 213) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0024510 k( 214) = ( 0.2685185 0.2685185 0.2685185), wk = 0.0024510 k( 215) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0024510 k( 216) = ( 0.2870370 0.2870370 0.2870370), wk = 0.0024510 k( 217) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0024510 k( 218) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0024510 k( 219) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0024510 k( 220) = ( 0.3240741 0.3240741 0.3240741), wk = 0.0024510 k( 221) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024510 k( 222) = ( 0.3425926 0.3425926 0.3425926), wk = 0.0024510 k( 223) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0024510 k( 224) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0024510 k( 225) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0024510 k( 226) = ( 0.3796296 0.3796296 0.3796296), wk = 0.0024510 k( 227) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0024510 k( 228) = ( 0.3981481 0.3981482 0.3981482), wk = 0.0024510 k( 229) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0024510 k( 230) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0024510 k( 231) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0024510 k( 232) = ( 0.4351852 0.4351852 0.4351852), wk = 0.0024510 k( 233) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0024510 k( 234) = ( 0.4537037 0.4537037 0.4537037), wk = 0.0024510 k( 235) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0024510 k( 236) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0024510 k( 237) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0024510 k( 238) = ( 0.4907407 0.4907407 0.4907407), wk = 0.0024510 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 241) = ( 0.5032895 0.4934211 0.5032895), wk = 0.0024510 k( 242) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0024510 k( 243) = ( 0.5098684 0.4802632 0.5098684), wk = 0.0024510 k( 244) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0024510 k( 245) = ( 0.5164474 0.4671053 0.5164474), wk = 0.0024510 k( 246) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0024510 k( 247) = ( 0.5230263 0.4539474 0.5230263), wk = 0.0024510 k( 248) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0024510 k( 249) = ( 0.5296053 0.4407895 0.5296053), wk = 0.0024510 k( 250) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0024510 k( 251) = ( 0.5361842 0.4276316 0.5361842), wk = 0.0024510 k( 252) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0024510 k( 253) = ( 0.5427632 0.4144737 0.5427632), wk = 0.0024510 k( 254) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0024510 k( 255) = ( 0.5493421 0.4013158 0.5493421), wk = 0.0024510 k( 256) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0024510 k( 257) = ( 0.5559211 0.3881579 0.5559211), wk = 0.0024510 k( 258) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0024510 k( 259) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0024510 k( 260) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0024510 k( 261) = ( 0.5690789 0.3618421 0.5690789), wk = 0.0024510 k( 262) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0024510 k( 263) = ( 0.5756579 0.3486842 0.5756579), wk = 0.0024510 k( 264) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0024510 k( 265) = ( 0.5822368 0.3355263 0.5822368), wk = 0.0024510 k( 266) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0024510 k( 267) = ( 0.5888158 0.3223684 0.5888158), wk = 0.0024510 k( 268) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0024510 k( 269) = ( 0.5953947 0.3092105 0.5953947), wk = 0.0024510 k( 270) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0024510 k( 271) = ( 0.6019737 0.2960526 0.6019737), wk = 0.0024510 k( 272) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0024510 k( 273) = ( 0.6085526 0.2828947 0.6085526), wk = 0.0024510 k( 274) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0024510 k( 275) = ( 0.6151316 0.2697368 0.6151316), wk = 0.0024510 k( 276) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0024510 k( 277) = ( 0.6217105 0.2565789 0.6217105), wk = 0.0024510 k( 278) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024510 k( 279) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024510 k( 280) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0024510 k( 281) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0024510 k( 282) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0024510 k( 283) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0024510 k( 284) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0024510 k( 285) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0024510 k( 286) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0024510 k( 287) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0024510 k( 288) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0024510 k( 289) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0024510 k( 290) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0024510 k( 291) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0024510 k( 292) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0024510 k( 293) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0024510 k( 294) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0024510 k( 295) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0024510 k( 296) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0024510 k( 297) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0024510 k( 298) = ( 0.5170455 0.2500000 0.7329545), wk = 0.0024510 k( 299) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0024510 k( 300) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0024510 k( 301) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024510 k( 302) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024510 k( 303) = ( 0.5000000 0.2556818 0.7443182), wk = 0.0024510 k( 304) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0024510 k( 305) = ( 0.5000000 0.2670455 0.7329546), wk = 0.0024510 k( 306) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0024510 k( 307) = ( 0.5000000 0.2784091 0.7215909), wk = 0.0024510 k( 308) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0024510 k( 309) = ( 0.5000000 0.2897727 0.7102273), wk = 0.0024510 k( 310) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0024510 k( 311) = ( 0.5000000 0.3011364 0.6988636), wk = 0.0024510 k( 312) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0024510 k( 313) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0024510 k( 314) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0024510 k( 315) = ( 0.5000000 0.3238636 0.6761364), wk = 0.0024510 k( 316) = ( 0.5000000 0.3295455 0.6704545), wk = 0.0024510 k( 317) = ( 0.5000000 0.3352273 0.6647727), wk = 0.0024510 k( 318) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0024510 k( 319) = ( 0.5000000 0.3465909 0.6534091), wk = 0.0024510 k( 320) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0024510 k( 321) = ( 0.5000000 0.3579545 0.6420455), wk = 0.0024510 k( 322) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0024510 k( 323) = ( 0.5000000 0.3693182 0.6306818), wk = 0.0024510 k( 324) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0024510 k( 325) = ( 0.5000000 0.3806818 0.6193182), wk = 0.0024510 k( 326) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0024510 k( 327) = ( 0.5000000 0.3920455 0.6079546), wk = 0.0024510 k( 328) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0024510 k( 329) = ( 0.5000000 0.4034091 0.5965909), wk = 0.0024510 k( 330) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0024510 k( 331) = ( 0.5000000 0.4147727 0.5852273), wk = 0.0024510 k( 332) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0024510 k( 333) = ( 0.5000000 0.4261364 0.5738636), wk = 0.0024510 k( 334) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0024510 k( 335) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0024510 k( 336) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0024510 k( 337) = ( 0.5000000 0.4488636 0.5511364), wk = 0.0024510 k( 338) = ( 0.5000000 0.4545455 0.5454546), wk = 0.0024510 k( 339) = ( 0.5000000 0.4602273 0.5397727), wk = 0.0024510 k( 340) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0024510 k( 341) = ( 0.5000000 0.4715909 0.5284091), wk = 0.0024510 k( 342) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0024510 k( 343) = ( 0.5000000 0.4829545 0.5170455), wk = 0.0024510 k( 344) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0024510 k( 345) = ( 0.5000000 0.4943182 0.5056818), wk = 0.0024510 k( 346) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 347) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 348) = ( 0.4967105 0.4967105 0.5065790), wk = 0.0024510 k( 349) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0024510 k( 350) = ( 0.4901316 0.4901316 0.5197368), wk = 0.0024510 k( 351) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0024510 k( 352) = ( 0.4835526 0.4835526 0.5328947), wk = 0.0024510 k( 353) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0024510 k( 354) = ( 0.4769737 0.4769737 0.5460526), wk = 0.0024510 k( 355) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0024510 k( 356) = ( 0.4703947 0.4703947 0.5592105), wk = 0.0024510 k( 357) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0024510 k( 358) = ( 0.4638158 0.4638158 0.5723684), wk = 0.0024510 k( 359) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0024510 k( 360) = ( 0.4572368 0.4572368 0.5855263), wk = 0.0024510 k( 361) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0024510 k( 362) = ( 0.4506579 0.4506579 0.5986842), wk = 0.0024510 k( 363) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0024510 k( 364) = ( 0.4440789 0.4440789 0.6118421), wk = 0.0024510 k( 365) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0024510 k( 366) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0024510 k( 367) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0024510 k( 368) = ( 0.4309211 0.4309211 0.6381579), wk = 0.0024510 k( 369) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0024510 k( 370) = ( 0.4243421 0.4243421 0.6513158), wk = 0.0024510 k( 371) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0024510 k( 372) = ( 0.4177632 0.4177632 0.6644737), wk = 0.0024510 k( 373) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0024510 k( 374) = ( 0.4111842 0.4111842 0.6776316), wk = 0.0024510 k( 375) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0024510 k( 376) = ( 0.4046053 0.4046053 0.6907895), wk = 0.0024510 k( 377) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0024510 k( 378) = ( 0.3980263 0.3980263 0.7039474), wk = 0.0024510 k( 379) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0024510 k( 380) = ( 0.3914474 0.3914474 0.7171053), wk = 0.0024510 k( 381) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0024510 k( 382) = ( 0.3848684 0.3848684 0.7302632), wk = 0.0024510 k( 383) = ( 0.3815789 0.3815789 0.7368421), wk = 0.0024510 k( 384) = ( 0.3782895 0.3782895 0.7434211), wk = 0.0024510 k( 385) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024510 k( 386) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024510 k( 387) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0024510 k( 388) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0024510 k( 389) = ( 0.6079545 0.2159091 0.6079546), wk = 0.0024510 k( 390) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0024510 k( 391) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0024510 k( 392) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0024510 k( 393) = ( 0.5852273 0.1704545 0.5852273), wk = 0.0024510 k( 394) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0024510 k( 395) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0024510 k( 396) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0024510 k( 397) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0024510 k( 398) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0024510 k( 399) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0024510 k( 400) = ( 0.5454545 0.0909091 0.5454546), wk = 0.0024510 k( 401) = ( 0.5397727 0.0795454 0.5397727), wk = 0.0024510 k( 402) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0024510 k( 403) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0024510 k( 404) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0024510 k( 405) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0024510 k( 406) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0024510 k( 407) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0024510 k( 408) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024510 Dense grid: 22659 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 10177 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 60, 26) NL pseudopotentials 0.02 Mb ( 30, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 474) G-vector shells 0.00 Mb ( 198) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 60, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SnC.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.0 secs Computing kpt #: 2 total cpu time spent up to now is 40.2 secs Computing kpt #: 3 total cpu time spent up to now is 40.4 secs Computing kpt #: 4 total cpu time spent up to now is 40.6 secs Computing kpt #: 5 total cpu time spent up to now is 40.8 secs Computing kpt #: 6 total cpu time spent up to now is 41.0 secs Computing kpt #: 7 total cpu time spent up to now is 41.3 secs Computing kpt #: 8 total cpu time spent up to now is 41.5 secs Computing kpt #: 9 total cpu time spent up to now is 41.7 secs Computing kpt #: 10 total cpu time spent up to now is 41.8 secs Computing kpt #: 11 total cpu time spent up to now is 42.0 secs Computing kpt #: 12 total cpu time spent up to now is 42.2 secs Computing kpt #: 13 total cpu time spent up to now is 42.4 secs Computing kpt #: 14 total cpu time spent up to now is 42.6 secs Computing kpt #: 15 total cpu time spent up to now is 42.9 secs Computing kpt #: 16 total cpu time spent up to now is 43.1 secs Computing kpt #: 17 total cpu time spent up to now is 43.3 secs Computing kpt #: 18 total cpu time spent up to now is 43.6 secs Computing kpt #: 19 total cpu time spent up to now is 43.9 secs Computing kpt #: 20 total cpu time spent up to now is 44.1 secs Computing kpt #: 21 total cpu time spent up to now is 44.3 secs Computing kpt #: 22 total cpu time spent up to now is 44.5 secs Computing kpt #: 23 total cpu time spent up to now is 44.7 secs Computing kpt #: 24 total cpu time spent up to now is 45.0 secs Computing kpt #: 25 total cpu time spent up to now is 45.2 secs Computing kpt #: 26 total cpu time spent up to now is 45.4 secs Computing kpt #: 27 total cpu time spent up to now is 45.6 secs Computing kpt #: 28 total cpu time spent up to now is 45.9 secs Computing kpt #: 29 total cpu time spent up to now is 46.1 secs Computing kpt #: 30 total cpu time spent up to now is 46.3 secs Computing kpt #: 31 total cpu time spent up to now is 46.6 secs Computing kpt #: 32 total cpu time spent up to now is 46.8 secs Computing kpt #: 33 total cpu time spent up to now is 47.0 secs Computing kpt #: 34 total cpu time spent up to now is 47.3 secs Computing kpt #: 35 total cpu time spent up to now is 47.5 secs Computing kpt #: 36 total cpu time spent up to now is 47.8 secs Computing kpt #: 37 total cpu time spent up to now is 48.0 secs Computing kpt #: 38 total cpu time spent up to now is 48.3 secs Computing kpt #: 39 total cpu time spent up to now is 48.5 secs Computing kpt #: 40 total cpu time spent up to now is 48.7 secs Computing kpt #: 41 total cpu time spent up to now is 49.0 secs Computing kpt #: 42 total cpu time spent up to now is 49.2 secs Computing kpt #: 43 total cpu time spent up to now is 49.4 secs Computing kpt #: 44 total cpu time spent up to now is 49.6 secs Computing kpt #: 45 total cpu time spent up to now is 49.9 secs Computing kpt #: 46 total cpu time spent up to now is 50.1 secs Computing kpt #: 47 total cpu time spent up to now is 50.3 secs Computing kpt #: 48 total cpu time spent up to now is 50.6 secs Computing kpt #: 49 total cpu time spent up to now is 50.8 secs Computing kpt #: 50 total cpu time spent up to now is 51.0 secs Computing kpt #: 51 total cpu time spent up to now is 51.3 secs Computing kpt #: 52 total cpu time spent up to now is 51.6 secs Computing kpt #: 53 total cpu time spent up to now is 51.9 secs Computing kpt #: 54 total cpu time spent up to now is 52.1 secs Computing kpt #: 55 total cpu time spent up to now is 52.3 secs Computing kpt #: 56 total cpu time spent up to now is 52.6 secs Computing kpt #: 57 total cpu time spent up to now is 53.0 secs Computing kpt #: 58 total cpu time spent up to now is 53.2 secs Computing kpt #: 59 total cpu time spent up to now is 53.6 secs Computing kpt #: 60 total cpu time spent up to now is 53.8 secs Computing kpt #: 61 total cpu time spent up to now is 54.2 secs Computing kpt #: 62 total cpu time spent up to now is 54.5 secs Computing kpt #: 63 total cpu time spent up to now is 54.8 secs Computing kpt #: 64 total cpu time spent up to now is 55.2 secs Computing kpt #: 65 total cpu time spent up to now is 55.5 secs Computing kpt #: 66 total cpu time spent up to now is 55.7 secs Computing kpt #: 67 total cpu time spent up to now is 56.0 secs Computing kpt #: 68 total cpu time spent up to now is 56.3 secs Computing kpt #: 69 total cpu time spent up to now is 56.6 secs Computing kpt #: 70 total cpu time spent up to now is 56.8 secs Computing kpt #: 71 total cpu time spent up to now is 57.1 secs Computing kpt #: 72 total cpu time spent up to now is 57.3 secs Computing kpt #: 73 total cpu time spent up to now is 57.5 secs Computing kpt #: 74 total cpu time spent up to now is 57.8 secs Computing kpt #: 75 total cpu time spent up to now is 58.0 secs Computing kpt #: 76 total cpu time spent up to now is 58.2 secs Computing kpt #: 77 total cpu time spent up to now is 58.5 secs Computing kpt #: 78 total cpu time spent up to now is 58.7 secs Computing kpt #: 79 total cpu time spent up to now is 59.0 secs Computing kpt #: 80 total cpu time spent up to now is 59.4 secs Computing kpt #: 81 total cpu time spent up to now is 59.6 secs Computing kpt #: 82 total cpu time spent up to now is 60.1 secs Computing kpt #: 83 total cpu time spent up to now is 60.4 secs Computing kpt #: 84 total cpu time spent up to now is 60.7 secs Computing kpt #: 85 total cpu time spent up to now is 61.0 secs Computing kpt #: 86 total cpu time spent up to now is 61.3 secs Computing kpt #: 87 total cpu time spent up to now is 61.6 secs Computing kpt #: 88 total cpu time spent up to now is 61.8 secs Computing kpt #: 89 total cpu time spent up to now is 62.1 secs Computing kpt #: 90 total cpu time spent up to now is 62.4 secs Computing kpt #: 91 total cpu time spent up to now is 62.6 secs Computing kpt #: 92 total cpu time spent up to now is 62.9 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.5 secs Computing kpt #: 95 total cpu time spent up to now is 63.7 secs Computing kpt #: 96 total cpu time spent up to now is 63.9 secs Computing kpt #: 97 total cpu time spent up to now is 64.2 secs Computing kpt #: 98 total cpu time spent up to now is 64.4 secs Computing kpt #: 99 total cpu time spent up to now is 64.6 secs Computing kpt #: 100 total cpu time spent up to now is 64.8 secs Computing kpt #: 101 total cpu time spent up to now is 65.1 secs Computing kpt #: 102 total cpu time spent up to now is 65.4 secs Computing kpt #: 103 total cpu time spent up to now is 65.7 secs Computing kpt #: 104 total cpu time spent up to now is 66.1 secs Computing kpt #: 105 total cpu time spent up to now is 66.4 secs Computing kpt #: 106 total cpu time spent up to now is 66.8 secs Computing kpt #: 107 total cpu time spent up to now is 67.1 secs Computing kpt #: 108 total cpu time spent up to now is 67.4 secs Computing kpt #: 109 total cpu time spent up to now is 67.7 secs Computing kpt #: 110 total cpu time spent up to now is 68.0 secs Computing kpt #: 111 total cpu time spent up to now is 68.4 secs Computing kpt #: 112 total cpu time spent up to now is 68.7 secs Computing kpt #: 113 total cpu time spent up to now is 69.0 secs Computing kpt #: 114 total cpu time spent up to now is 69.5 secs Computing kpt #: 115 total cpu time spent up to now is 69.8 secs Computing kpt #: 116 total cpu time spent up to now is 70.1 secs Computing kpt #: 117 total cpu time spent up to now is 70.3 secs Computing kpt #: 118 total cpu time spent up to now is 70.6 secs Computing kpt #: 119 total cpu time spent up to now is 70.9 secs Computing kpt #: 120 total cpu time spent up to now is 71.1 secs Computing kpt #: 121 total cpu time spent up to now is 71.4 secs Computing kpt #: 122 total cpu time spent up to now is 71.6 secs Computing kpt #: 123 total cpu time spent up to now is 71.8 secs Computing kpt #: 124 total cpu time spent up to now is 72.1 secs Computing kpt #: 125 total cpu time spent up to now is 72.3 secs Computing kpt #: 126 total cpu time spent up to now is 72.6 secs Computing kpt #: 127 total cpu time spent up to now is 72.9 secs Computing kpt #: 128 total cpu time spent up to now is 73.3 secs Computing kpt #: 129 total cpu time spent up to now is 73.6 secs Computing kpt #: 130 total cpu time spent up to now is 73.9 secs Computing kpt #: 131 total cpu time spent up to now is 74.2 secs Computing kpt #: 132 total cpu time spent up to now is 74.6 secs Computing kpt #: 133 total cpu time spent up to now is 74.8 secs Computing kpt #: 134 total cpu time spent up to now is 75.3 secs Computing kpt #: 135 total cpu time spent up to now is 75.5 secs Computing kpt #: 136 total cpu time spent up to now is 75.8 secs Computing kpt #: 137 total cpu time spent up to now is 76.0 secs Computing kpt #: 138 total cpu time spent up to now is 76.4 secs Computing kpt #: 139 total cpu time spent up to now is 76.7 secs Computing kpt #: 140 total cpu time spent up to now is 77.0 secs Computing kpt #: 141 total cpu time spent up to now is 77.6 secs Computing kpt #: 142 total cpu time spent up to now is 77.9 secs Computing kpt #: 143 total cpu time spent up to now is 78.1 secs Computing kpt #: 144 total cpu time spent up to now is 78.3 secs Computing kpt #: 145 total cpu time spent up to now is 78.6 secs Computing kpt #: 146 total cpu time spent up to now is 78.8 secs Computing kpt #: 147 total cpu time spent up to now is 79.1 secs Computing kpt #: 148 total cpu time spent up to now is 79.4 secs Computing kpt #: 149 total cpu time spent up to now is 79.8 secs Computing kpt #: 150 total cpu time spent up to now is 80.1 secs Computing kpt #: 151 total cpu time spent up to now is 80.3 secs Computing kpt #: 152 total cpu time spent up to now is 80.7 secs Computing kpt #: 153 total cpu time spent up to now is 81.4 secs Computing kpt #: 154 total cpu time spent up to now is 81.8 secs Computing kpt #: 155 total cpu time spent up to now is 82.1 secs Computing kpt #: 156 total cpu time spent up to now is 82.4 secs Computing kpt #: 157 total cpu time spent up to now is 82.8 secs Computing kpt #: 158 total cpu time spent up to now is 83.2 secs Computing kpt #: 159 total cpu time spent up to now is 83.5 secs Computing kpt #: 160 total cpu time spent up to now is 83.8 secs Computing kpt #: 161 total cpu time spent up to now is 84.0 secs Computing kpt #: 162 total cpu time spent up to now is 84.2 secs Computing kpt #: 163 total cpu time spent up to now is 84.6 secs Computing kpt #: 164 total cpu time spent up to now is 84.8 secs Computing kpt #: 165 total cpu time spent up to now is 85.0 secs Computing kpt #: 166 total cpu time spent up to now is 85.3 secs Computing kpt #: 167 total cpu time spent up to now is 85.5 secs Computing kpt #: 168 total cpu time spent up to now is 85.7 secs Computing kpt #: 169 total cpu time spent up to now is 86.1 secs Computing kpt #: 170 total cpu time spent up to now is 86.5 secs Computing kpt #: 171 total cpu time spent up to now is 86.9 secs Computing kpt #: 172 total cpu time spent up to now is 87.1 secs Computing kpt #: 173 total cpu time spent up to now is 87.4 secs Computing kpt #: 174 total cpu time spent up to now is 87.8 secs Computing kpt #: 175 total cpu time spent up to now is 88.3 secs Computing kpt #: 176 total cpu time spent up to now is 88.5 secs Computing kpt #: 177 total cpu time spent up to now is 88.7 secs Computing kpt #: 178 total cpu time spent up to now is 88.9 secs Computing kpt #: 179 total cpu time spent up to now is 89.1 secs Computing kpt #: 180 total cpu time spent up to now is 89.3 secs Computing kpt #: 181 total cpu time spent up to now is 89.7 secs Computing kpt #: 182 total cpu time spent up to now is 89.9 secs Computing kpt #: 183 total cpu time spent up to now is 90.1 secs Computing kpt #: 184 total cpu time spent up to now is 90.3 secs Computing kpt #: 185 total cpu time spent up to now is 90.5 secs Computing kpt #: 186 total cpu time spent up to now is 90.8 secs Computing kpt #: 187 total cpu time spent up to now is 91.5 secs Computing kpt #: 188 total cpu time spent up to now is 91.7 secs Computing kpt #: 189 total cpu time spent up to now is 91.9 secs Computing kpt #: 190 total cpu time spent up to now is 92.1 secs Computing kpt #: 191 total cpu time spent up to now is 92.3 secs Computing kpt #: 192 total cpu time spent up to now is 92.5 secs Computing kpt #: 193 total cpu time spent up to now is 92.7 secs Computing kpt #: 194 total cpu time spent up to now is 93.2 secs Computing kpt #: 195 total cpu time spent up to now is 93.4 secs Computing kpt #: 196 total cpu time spent up to now is 93.6 secs Computing kpt #: 197 total cpu time spent up to now is 93.8 secs Computing kpt #: 198 total cpu time spent up to now is 94.0 secs Computing kpt #: 199 total cpu time spent up to now is 94.2 secs Computing kpt #: 200 total cpu time spent up to now is 94.4 secs Computing kpt #: 201 total cpu time spent up to now is 94.7 secs Computing kpt #: 202 total cpu time spent up to now is 94.9 secs Computing kpt #: 203 total cpu time spent up to now is 95.1 secs Computing kpt #: 204 total cpu time spent up to now is 95.4 secs Computing kpt #: 205 total cpu time spent up to now is 95.7 secs Computing kpt #: 206 total cpu time spent up to now is 95.9 secs Computing kpt #: 207 total cpu time spent up to now is 96.2 secs Computing kpt #: 208 total cpu time spent up to now is 96.4 secs Computing kpt #: 209 total cpu time spent up to now is 96.6 secs Computing kpt #: 210 total cpu time spent up to now is 96.9 secs Computing kpt #: 211 total cpu time spent up to now is 97.2 secs Computing kpt #: 212 total cpu time spent up to now is 97.6 secs Computing kpt #: 213 total cpu time spent up to now is 97.9 secs Computing kpt #: 214 total cpu time spent up to now is 98.3 secs Computing kpt #: 215 total cpu time spent up to now is 98.6 secs Computing kpt #: 216 total cpu time spent up to now is 98.8 secs Computing kpt #: 217 total cpu time spent up to now is 99.1 secs Computing kpt #: 218 total cpu time spent up to now is 99.4 secs Computing kpt #: 219 total cpu time spent up to now is 99.7 secs Computing kpt #: 220 total cpu time spent up to now is 99.9 secs Computing kpt #: 221 total cpu time spent up to now is 100.1 secs Computing kpt #: 222 total cpu time spent up to now is 100.3 secs Computing kpt #: 223 total cpu time spent up to now is 100.6 secs Computing kpt #: 224 total cpu time spent up to now is 100.8 secs Computing kpt #: 225 total cpu time spent up to now is 101.0 secs Computing kpt #: 226 total cpu time spent up to now is 101.2 secs Computing kpt #: 227 total cpu time spent up to now is 101.4 secs Computing kpt #: 228 total cpu time spent up to now is 101.6 secs Computing kpt #: 229 total cpu time spent up to now is 101.8 secs Computing kpt #: 230 total cpu time spent up to now is 102.3 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 102.8 secs Computing kpt #: 233 total cpu time spent up to now is 103.1 secs Computing kpt #: 234 total cpu time spent up to now is 103.3 secs Computing kpt #: 235 total cpu time spent up to now is 103.5 secs Computing kpt #: 236 total cpu time spent up to now is 103.8 secs Computing kpt #: 237 total cpu time spent up to now is 104.1 secs Computing kpt #: 238 total cpu time spent up to now is 104.4 secs Computing kpt #: 239 total cpu time spent up to now is 104.7 secs Computing kpt #: 240 total cpu time spent up to now is 105.0 secs Computing kpt #: 241 total cpu time spent up to now is 105.2 secs Computing kpt #: 242 total cpu time spent up to now is 105.5 secs Computing kpt #: 243 total cpu time spent up to now is 105.8 secs Computing kpt #: 244 total cpu time spent up to now is 106.0 secs Computing kpt #: 245 total cpu time spent up to now is 106.3 secs Computing kpt #: 246 total cpu time spent up to now is 106.7 secs Computing kpt #: 247 total cpu time spent up to now is 107.1 secs Computing kpt #: 248 total cpu time spent up to now is 107.4 secs Computing kpt #: 249 total cpu time spent up to now is 107.8 secs Computing kpt #: 250 total cpu time spent up to now is 108.2 secs Computing kpt #: 251 total cpu time spent up to now is 108.6 secs Computing kpt #: 252 total cpu time spent up to now is 109.1 secs Computing kpt #: 253 total cpu time spent up to now is 109.5 secs Computing kpt #: 254 total cpu time spent up to now is 109.9 secs Computing kpt #: 255 total cpu time spent up to now is 110.4 secs Computing kpt #: 256 total cpu time spent up to now is 110.8 secs Computing kpt #: 257 total cpu time spent up to now is 111.2 secs Computing kpt #: 258 total cpu time spent up to now is 111.6 secs Computing kpt #: 259 total cpu time spent up to now is 112.0 secs Computing kpt #: 260 total cpu time spent up to now is 112.4 secs Computing kpt #: 261 total cpu time spent up to now is 112.7 secs Computing kpt #: 262 total cpu time spent up to now is 113.0 secs Computing kpt #: 263 total cpu time spent up to now is 113.3 secs Computing kpt #: 264 total cpu time spent up to now is 113.5 secs Computing kpt #: 265 total cpu time spent up to now is 113.8 secs Computing kpt #: 266 total cpu time spent up to now is 114.1 secs Computing kpt #: 267 total cpu time spent up to now is 114.5 secs Computing kpt #: 268 total cpu time spent up to now is 114.9 secs Computing kpt #: 269 total cpu time spent up to now is 115.2 secs Computing kpt #: 270 total cpu time spent up to now is 115.4 secs Computing kpt #: 271 total cpu time spent up to now is 115.7 secs Computing kpt #: 272 total cpu time spent up to now is 116.0 secs Computing kpt #: 273 total cpu time spent up to now is 116.2 secs Computing kpt #: 274 total cpu time spent up to now is 116.5 secs Computing kpt #: 275 total cpu time spent up to now is 116.8 secs Computing kpt #: 276 total cpu time spent up to now is 117.1 secs Computing kpt #: 277 total cpu time spent up to now is 117.5 secs Computing kpt #: 278 total cpu time spent up to now is 117.7 secs Computing kpt #: 279 total cpu time spent up to now is 118.0 secs Computing kpt #: 280 total cpu time spent up to now is 118.3 secs Computing kpt #: 281 total cpu time spent up to now is 118.6 secs Computing kpt #: 282 total cpu time spent up to now is 118.9 secs Computing kpt #: 283 total cpu time spent up to now is 119.2 secs Computing kpt #: 284 total cpu time spent up to now is 119.4 secs Computing kpt #: 285 total cpu time spent up to now is 119.6 secs Computing kpt #: 286 total cpu time spent up to now is 119.9 secs Computing kpt #: 287 total cpu time spent up to now is 120.1 secs Computing kpt #: 288 total cpu time spent up to now is 120.4 secs Computing kpt #: 289 total cpu time spent up to now is 120.6 secs Computing kpt #: 290 total cpu time spent up to now is 120.9 secs Computing kpt #: 291 total cpu time spent up to now is 121.2 secs Computing kpt #: 292 total cpu time spent up to now is 121.5 secs Computing kpt #: 293 total cpu time spent up to now is 121.7 secs Computing kpt #: 294 total cpu time spent up to now is 122.1 secs Computing kpt #: 295 total cpu time spent up to now is 122.6 secs Computing kpt #: 296 total cpu time spent up to now is 122.9 secs Computing kpt #: 297 total cpu time spent up to now is 123.2 secs Computing kpt #: 298 total cpu time spent up to now is 123.5 secs Computing kpt #: 299 total cpu time spent up to now is 123.8 secs Computing kpt #: 300 total cpu time spent up to now is 124.1 secs Computing kpt #: 301 total cpu time spent up to now is 124.4 secs Computing kpt #: 302 total cpu time spent up to now is 124.8 secs Computing kpt #: 303 total cpu time spent up to now is 125.1 secs Computing kpt #: 304 total cpu time spent up to now is 125.3 secs Computing kpt #: 305 total cpu time spent up to now is 125.5 secs Computing kpt #: 306 total cpu time spent up to now is 125.8 secs Computing kpt #: 307 total cpu time spent up to now is 126.0 secs Computing kpt #: 308 total cpu time spent up to now is 126.3 secs Computing kpt #: 309 total cpu time spent up to now is 126.5 secs Computing kpt #: 310 total cpu time spent up to now is 126.8 secs Computing kpt #: 311 total cpu time spent up to now is 127.1 secs Computing kpt #: 312 total cpu time spent up to now is 127.4 secs Computing kpt #: 313 total cpu time spent up to now is 127.6 secs Computing kpt #: 314 total cpu time spent up to now is 127.9 secs Computing kpt #: 315 total cpu time spent up to now is 128.3 secs Computing kpt #: 316 total cpu time spent up to now is 128.6 secs Computing kpt #: 317 total cpu time spent up to now is 128.9 secs Computing kpt #: 318 total cpu time spent up to now is 129.4 secs Computing kpt #: 319 total cpu time spent up to now is 129.7 secs Computing kpt #: 320 total cpu time spent up to now is 130.1 secs Computing kpt #: 321 total cpu time spent up to now is 130.5 secs Computing kpt #: 322 total cpu time spent up to now is 130.8 secs Computing kpt #: 323 total cpu time spent up to now is 131.0 secs Computing kpt #: 324 total cpu time spent up to now is 131.2 secs Computing kpt #: 325 total cpu time spent up to now is 131.5 secs Computing kpt #: 326 total cpu time spent up to now is 131.7 secs Computing kpt #: 327 total cpu time spent up to now is 131.9 secs Computing kpt #: 328 total cpu time spent up to now is 132.2 secs Computing kpt #: 329 total cpu time spent up to now is 132.4 secs Computing kpt #: 330 total cpu time spent up to now is 132.6 secs Computing kpt #: 331 total cpu time spent up to now is 132.8 secs Computing kpt #: 332 total cpu time spent up to now is 133.0 secs Computing kpt #: 333 total cpu time spent up to now is 133.3 secs Computing kpt #: 334 total cpu time spent up to now is 133.5 secs Computing kpt #: 335 total cpu time spent up to now is 133.7 secs Computing kpt #: 336 total cpu time spent up to now is 134.1 secs Computing kpt #: 337 total cpu time spent up to now is 134.5 secs Computing kpt #: 338 total cpu time spent up to now is 135.0 secs Computing kpt #: 339 total cpu time spent up to now is 135.3 secs Computing kpt #: 340 total cpu time spent up to now is 135.5 secs Computing kpt #: 341 total cpu time spent up to now is 135.7 secs Computing kpt #: 342 total cpu time spent up to now is 135.9 secs Computing kpt #: 343 total cpu time spent up to now is 136.1 secs Computing kpt #: 344 total cpu time spent up to now is 136.4 secs Computing kpt #: 345 total cpu time spent up to now is 136.6 secs Computing kpt #: 346 total cpu time spent up to now is 136.8 secs Computing kpt #: 347 total cpu time spent up to now is 137.0 secs Computing kpt #: 348 total cpu time spent up to now is 137.2 secs Computing kpt #: 349 total cpu time spent up to now is 137.4 secs Computing kpt #: 350 total cpu time spent up to now is 137.6 secs Computing kpt #: 351 total cpu time spent up to now is 137.8 secs Computing kpt #: 352 total cpu time spent up to now is 138.1 secs Computing kpt #: 353 total cpu time spent up to now is 138.4 secs Computing kpt #: 354 total cpu time spent up to now is 138.7 secs Computing kpt #: 355 total cpu time spent up to now is 139.0 secs Computing kpt #: 356 total cpu time spent up to now is 139.3 secs Computing kpt #: 357 total cpu time spent up to now is 139.6 secs Computing kpt #: 358 total cpu time spent up to now is 140.1 secs Computing kpt #: 359 total cpu time spent up to now is 140.8 secs Computing kpt #: 360 total cpu time spent up to now is 141.1 secs Computing kpt #: 361 total cpu time spent up to now is 141.3 secs Computing kpt #: 362 total cpu time spent up to now is 141.7 secs Computing kpt #: 363 total cpu time spent up to now is 141.9 secs Computing kpt #: 364 total cpu time spent up to now is 142.2 secs Computing kpt #: 365 total cpu time spent up to now is 142.4 secs Computing kpt #: 366 total cpu time spent up to now is 142.6 secs Computing kpt #: 367 total cpu time spent up to now is 142.8 secs Computing kpt #: 368 total cpu time spent up to now is 143.1 secs Computing kpt #: 369 total cpu time spent up to now is 143.3 secs Computing kpt #: 370 total cpu time spent up to now is 143.5 secs Computing kpt #: 371 total cpu time spent up to now is 143.8 secs Computing kpt #: 372 total cpu time spent up to now is 144.0 secs Computing kpt #: 373 total cpu time spent up to now is 144.2 secs Computing kpt #: 374 total cpu time spent up to now is 144.5 secs Computing kpt #: 375 total cpu time spent up to now is 144.7 secs Computing kpt #: 376 total cpu time spent up to now is 145.1 secs Computing kpt #: 377 total cpu time spent up to now is 145.3 secs Computing kpt #: 378 total cpu time spent up to now is 145.6 secs Computing kpt #: 379 total cpu time spent up to now is 145.8 secs Computing kpt #: 380 total cpu time spent up to now is 146.5 secs Computing kpt #: 381 total cpu time spent up to now is 146.8 secs Computing kpt #: 382 total cpu time spent up to now is 147.1 secs Computing kpt #: 383 total cpu time spent up to now is 147.4 secs Computing kpt #: 384 total cpu time spent up to now is 147.7 secs Computing kpt #: 385 total cpu time spent up to now is 148.0 secs Computing kpt #: 386 total cpu time spent up to now is 148.3 secs Computing kpt #: 387 total cpu time spent up to now is 148.5 secs Computing kpt #: 388 total cpu time spent up to now is 149.0 secs Computing kpt #: 389 total cpu time spent up to now is 149.5 secs Computing kpt #: 390 total cpu time spent up to now is 149.8 secs Computing kpt #: 391 total cpu time spent up to now is 150.1 secs Computing kpt #: 392 total cpu time spent up to now is 150.3 secs Computing kpt #: 393 total cpu time spent up to now is 150.5 secs Computing kpt #: 394 total cpu time spent up to now is 150.8 secs Computing kpt #: 395 total cpu time spent up to now is 151.0 secs Computing kpt #: 396 total cpu time spent up to now is 151.3 secs Computing kpt #: 397 total cpu time spent up to now is 151.5 secs Computing kpt #: 398 total cpu time spent up to now is 151.8 secs Computing kpt #: 399 total cpu time spent up to now is 152.1 secs Computing kpt #: 400 total cpu time spent up to now is 152.4 secs Computing kpt #: 401 total cpu time spent up to now is 152.7 secs Computing kpt #: 402 total cpu time spent up to now is 153.0 secs Computing kpt #: 403 total cpu time spent up to now is 153.3 secs Computing kpt #: 404 total cpu time spent up to now is 153.6 secs Computing kpt #: 405 total cpu time spent up to now is 153.9 secs Computing kpt #: 406 total cpu time spent up to now is 154.2 secs Computing kpt #: 407 total cpu time spent up to now is 154.5 secs Computing kpt #: 408 total cpu time spent up to now is 154.7 secs ethr = 5.56E-11, avg # of iterations = 13.9 total cpu time spent up to now is 154.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -11.3049 -11.3049 -11.3049 -11.3049 -10.3278 -10.3278 -10.2503 -10.2503 -10.2503 -10.2503 -3.1080 -3.1080 10.2658 10.2658 10.3318 10.3318 10.3318 10.3318 10.8269 10.8269 15.5113 15.5113 16.3198 16.3198 16.3198 16.3198 k = 0.0081-0.0047 0.0066 ( 1243 PWs) bands (ev): -11.3051 -11.3051 -11.3047 -11.3047 -10.3278 -10.3278 -10.2505 -10.2505 -10.2501 -10.2501 -3.1067 -3.1067 10.2525 10.2525 10.3135 10.3135 10.3291 10.3291 10.8548 10.8548 15.5122 15.5122 16.3167 16.3167 16.3230 16.3230 k = 0.0161-0.0093 0.0132 ( 1243 PWs) bands (ev): -11.3052 -11.3052 -11.3044 -11.3044 -10.3277 -10.3277 -10.2507 -10.2507 -10.2498 -10.2498 -3.1028 -3.1028 10.1986 10.1987 10.2859 10.2859 10.3211 10.3211 10.9254 10.9254 15.5147 15.5147 16.3078 16.3078 16.3325 16.3325 k = 0.0242-0.0140 0.0198 ( 1251 PWs) bands (ev): -11.3053 -11.3053 -11.3041 -11.3041 -10.3276 -10.3276 -10.2509 -10.2509 -10.2495 -10.2495 -3.0963 -3.0963 10.1094 10.1094 10.2639 10.2639 10.3078 10.3078 11.0187 11.0187 15.5181 15.5181 16.2940 16.2940 16.3484 16.3484 k = 0.0323-0.0186 0.0263 ( 1251 PWs) bands (ev): -11.3054 -11.3054 -11.3038 -11.3038 -10.3273 -10.3273 -10.2510 -10.2510 -10.2493 -10.2493 -3.0872 -3.0872 10.0046 10.0046 10.2398 10.2398 10.2892 10.2892 11.1230 11.1230 15.5208 15.5208 16.2772 16.2772 16.3704 16.3704 k = 0.0403-0.0233 0.0329 ( 1259 PWs) bands (ev): -11.3054 -11.3054 -11.3034 -11.3034 -10.3271 -10.3271 -10.2511 -10.2511 -10.2490 -10.2490 -3.0756 -3.0756 9.8923 9.8923 10.2109 10.2109 10.2655 10.2655 11.2326 11.2326 15.5210 15.5210 16.2598 16.2598 16.3985 16.3985 k = 0.0484-0.0279 0.0395 ( 1263 PWs) bands (ev): -11.3055 -11.3055 -11.3030 -11.3030 -10.3267 -10.3267 -10.2512 -10.2512 -10.2486 -10.2486 -3.0613 -3.0613 9.7759 9.7759 10.1769 10.1769 10.2367 10.2367 11.3451 11.3451 15.5161 15.5161 16.2449 16.2449 16.4323 16.4323 k = 0.0565-0.0326 0.0461 ( 1271 PWs) bands (ev): -11.3055 -11.3055 -11.3024 -11.3024 -10.3263 -10.3263 -10.2512 -10.2512 -10.2483 -10.2483 -3.0445 -3.0445 9.6570 9.6570 10.1380 10.1380 10.2032 10.2032 11.4588 11.4588 15.5031 15.5031 16.2360 16.2360 16.4718 16.4718 k = 0.0645-0.0372 0.0527 ( 1279 PWs) bands (ev): -11.3056 -11.3056 -11.3019 -11.3019 -10.3259 -10.3259 -10.2513 -10.2513 -10.2480 -10.2480 -3.0251 -3.0251 9.5363 9.5363 10.0944 10.0944 10.1650 10.1650 11.5729 11.5729 15.4796 15.4796 16.2362 16.2362 16.5166 16.5166 k = 0.0726-0.0419 0.0593 ( 1279 PWs) bands (ev): -11.3056 -11.3056 -11.3013 -11.3013 -10.3254 -10.3254 -10.2512 -10.2512 -10.2476 -10.2476 -3.0031 -3.0031 9.4144 9.4144 10.0464 10.0464 10.1226 10.1226 11.6868 11.6868 15.4439 15.4439 16.2476 16.2476 16.5664 16.5664 k = 0.0806-0.0466 0.0658 ( 1287 PWs) bands (ev): -11.3056 -11.3056 -11.3006 -11.3006 -10.3249 -10.3249 -10.2512 -10.2512 -10.2472 -10.2472 -2.9786 -2.9786 9.2915 9.2915 9.9943 9.9943 10.0761 10.0761 11.8001 11.8001 15.3958 15.3958 16.2712 16.2712 16.6211 16.6211 k = 0.0887-0.0512 0.0724 ( 1287 PWs) bands (ev): -11.3056 -11.3056 -11.2998 -11.2998 -10.3244 -10.3244 -10.2511 -10.2511 -10.2468 -10.2468 -2.9515 -2.9515 9.1679 9.1679 9.9385 9.9385 10.0259 10.0259 11.9124 11.9124 15.3362 15.3362 16.3064 16.3064 16.6802 16.6802 k = 0.0968-0.0559 0.0790 ( 1287 PWs) bands (ev): -11.3056 -11.3056 -11.2990 -11.2990 -10.3238 -10.3238 -10.2510 -10.2510 -10.2464 -10.2464 -2.9218 -2.9218 9.0437 9.0437 9.8794 9.8794 9.9724 9.9724 12.0233 12.0233 15.2669 15.2669 16.3519 16.3519 16.7435 16.7435 k = 0.1048-0.0605 0.0856 ( 1287 PWs) bands (ev): -11.3057 -11.3057 -11.2982 -11.2982 -10.3232 -10.3232 -10.2508 -10.2508 -10.2460 -10.2460 -2.8896 -2.8896 8.9188 8.9188 9.8174 9.8174 9.9158 9.9158 12.1325 12.1325 15.1896 15.1896 16.4065 16.4065 16.8107 16.8107 k = 0.1129-0.0652 0.0922 ( 1299 PWs) bands (ev): -11.3057 -11.3057 -11.2973 -11.2973 -10.3226 -10.3226 -10.2506 -10.2506 -10.2455 -10.2455 -2.8549 -2.8549 8.7935 8.7935 9.7526 9.7526 9.8564 9.8564 12.2397 12.2397 15.1062 15.1062 16.4686 16.4686 16.8815 16.8815 k = 0.1210-0.0698 0.0988 ( 1299 PWs) bands (ev): -11.3057 -11.3057 -11.2964 -11.2964 -10.3220 -10.3220 -10.2503 -10.2503 -10.2449 -10.2449 -2.8176 -2.8176 8.6676 8.6676 9.6856 9.6856 9.7946 9.7946 12.3443 12.3443 15.0183 15.0183 16.5372 16.5372 16.9556 16.9556 k = 0.1290-0.0745 0.1054 ( 1299 PWs) bands (ev): -11.3057 -11.3057 -11.2954 -11.2954 -10.3213 -10.3213 -10.2500 -10.2500 -10.2444 -10.2444 -2.7778 -2.7778 8.5413 8.5413 9.6167 9.6167 9.7306 9.7306 12.4461 12.4461 14.9271 14.9271 16.6112 16.6112 17.0327 17.0327 k = 0.1371-0.0792 0.1119 ( 1299 PWs) bands (ev): -11.3057 -11.3057 -11.2944 -11.2944 -10.3207 -10.3207 -10.2497 -10.2497 -10.2437 -10.2437 -2.7356 -2.7356 8.4145 8.4145 9.5460 9.5460 9.6649 9.6649 12.5444 12.5444 14.8339 14.8339 16.6898 16.6898 17.1126 17.1126 k = 0.1452-0.0838 0.1185 ( 1299 PWs) bands (ev): -11.3058 -11.3058 -11.2933 -11.2933 -10.3201 -10.3201 -10.2494 -10.2494 -10.2430 -10.2430 -2.6908 -2.6908 8.2872 8.2872 9.4740 9.4740 9.5975 9.5975 12.6388 12.6388 14.7398 14.7398 16.7723 16.7723 17.1951 17.1951 k = 0.1532-0.0885 0.1251 ( 1307 PWs) bands (ev): -11.3058 -11.3058 -11.2922 -11.2922 -10.3195 -10.3195 -10.2491 -10.2491 -10.2423 -10.2423 -2.6436 -2.6436 8.1594 8.1594 9.4010 9.4010 9.5289 9.5289 12.7285 12.7285 14.6458 14.6458 16.8582 16.8582 17.2799 17.2799 k = 0.1613-0.0931 0.1317 ( 1303 PWs) bands (ev): -11.3058 -11.3058 -11.2911 -11.2911 -10.3189 -10.3189 -10.2487 -10.2487 -10.2414 -10.2414 -2.5939 -2.5939 8.0311 8.0311 9.3270 9.3270 9.4593 9.4593 12.8127 12.8127 14.5529 14.5529 16.9471 16.9471 17.3667 17.3667 k = 0.1694-0.0978 0.1383 ( 1303 PWs) bands (ev): -11.3059 -11.3059 -11.2899 -11.2899 -10.3183 -10.3183 -10.2483 -10.2483 -10.2405 -10.2405 -2.5418 -2.5418 7.9022 7.9022 9.2525 9.2525 9.3889 9.3889 12.8905 12.8905 14.4623 14.4623 17.0385 17.0385 17.4555 17.4555 k = 0.1774-0.1024 0.1449 ( 1303 PWs) bands (ev): -11.3059 -11.3059 -11.2888 -11.2888 -10.3178 -10.3178 -10.2480 -10.2480 -10.2394 -10.2394 -2.4873 -2.4873 7.7728 7.7728 9.1777 9.1777 9.3179 9.3179 12.9607 12.9607 14.3752 14.3752 17.1321 17.1321 17.5459 17.5459 k = 0.1855-0.1071 0.1514 ( 1303 PWs) bands (ev): -11.3060 -11.3060 -11.2876 -11.2876 -10.3173 -10.3173 -10.2476 -10.2476 -10.2383 -10.2383 -2.4304 -2.4304 7.6428 7.6428 9.1027 9.1027 9.2466 9.2466 13.0217 13.0217 14.2930 14.2930 17.2275 17.2275 17.6378 17.6378 k = 0.1935-0.1117 0.1580 ( 1303 PWs) bands (ev): -11.3061 -11.3061 -11.2863 -11.2863 -10.3168 -10.3168 -10.2472 -10.2472 -10.2371 -10.2371 -2.3711 -2.3711 7.5123 7.5123 9.0277 9.0277 9.1752 9.1752 13.0718 13.0718 14.2176 14.2176 17.3246 17.3246 17.7310 17.7310 k = 0.2016-0.1164 0.1646 ( 1295 PWs) bands (ev): -11.3061 -11.3061 -11.2851 -11.2851 -10.3164 -10.3164 -10.2469 -10.2469 -10.2357 -10.2357 -2.3095 -2.3095 7.3811 7.3811 8.9530 8.9530 9.1038 9.1038 13.1090 13.1090 14.1507 14.1507 17.4230 17.4230 17.8255 17.8255 k = 0.2097-0.1211 0.1712 ( 1299 PWs) bands (ev): -11.3062 -11.3062 -11.2839 -11.2839 -10.3160 -10.3160 -10.2465 -10.2465 -10.2343 -10.2343 -2.2456 -2.2456 7.2494 7.2494 8.8788 8.8788 9.0327 9.0327 13.1313 13.1313 14.0943 14.0943 17.5226 17.5226 17.9209 17.9209 k = 0.2177-0.1257 0.1778 ( 1299 PWs) bands (ev): -11.3063 -11.3063 -11.2826 -11.2826 -10.3156 -10.3156 -10.2462 -10.2462 -10.2328 -10.2328 -2.1793 -2.1793 7.1171 7.1171 8.8051 8.8051 8.9620 8.9620 13.1371 13.1371 14.0499 14.0499 17.6232 17.6232 18.0172 18.0172 k = 0.2258-0.1304 0.1844 ( 1299 PWs) bands (ev): -11.3064 -11.3064 -11.2814 -11.2814 -10.3153 -10.3153 -10.2459 -10.2459 -10.2312 -10.2312 -2.1109 -2.1109 6.9842 6.9842 8.7322 8.7322 8.8919 8.8919 13.1259 13.1259 14.0178 14.0178 17.7246 17.7246 18.1142 18.1142 k = 0.2339-0.1350 0.1910 ( 1299 PWs) bands (ev): -11.3065 -11.3065 -11.2801 -11.2801 -10.3150 -10.3150 -10.2455 -10.2455 -10.2295 -10.2295 -2.0402 -2.0402 6.8507 6.8507 8.6601 8.6601 8.8225 8.8225 13.0987 13.0987 13.9970 13.9970 17.8266 17.8266 18.2118 18.2118 k = 0.2419-0.1397 0.1975 ( 1299 PWs) bands (ev): -11.3066 -11.3066 -11.2789 -11.2789 -10.3147 -10.3147 -10.2452 -10.2452 -10.2277 -10.2277 -1.9673 -1.9673 6.7166 6.7166 8.5891 8.5891 8.7540 8.7540 13.0577 13.0577 13.9853 13.9853 17.9290 17.9290 18.3099 18.3099 k = 0.2500-0.1443 0.2041 ( 1299 PWs) bands (ev): -11.3068 -11.3068 -11.2776 -11.2776 -10.3145 -10.3145 -10.2449 -10.2449 -10.2259 -10.2259 -1.8923 -1.8923 6.5820 6.5820 8.5192 8.5192 8.6864 8.6864 13.0059 13.0059 13.9798 13.9798 18.0316 18.0316 18.4082 18.4082 k = 0.2581-0.1490 0.2107 ( 1283 PWs) bands (ev): -11.3069 -11.3069 -11.2764 -11.2764 -10.3143 -10.3143 -10.2446 -10.2446 -10.2240 -10.2240 -1.8152 -1.8152 6.4470 6.4470 8.4506 8.4506 8.6200 8.6200 12.9462 12.9462 13.9777 13.9777 18.1344 18.1344 18.4934 18.4934 k = 0.2661-0.1536 0.2173 ( 1283 PWs) bands (ev): -11.3070 -11.3070 -11.2752 -11.2752 -10.3141 -10.3141 -10.2443 -10.2443 -10.2221 -10.2221 -1.7361 -1.7361 6.3114 6.3114 8.3833 8.3833 8.5549 8.5549 12.8811 12.8811 13.9767 13.9767 18.2371 18.2371 18.4666 18.4666 k = 0.2742-0.1583 0.2239 ( 1283 PWs) bands (ev): -11.3072 -11.3072 -11.2740 -11.2740 -10.3140 -10.3140 -10.2440 -10.2440 -10.2201 -10.2201 -1.6550 -1.6550 6.1754 6.1754 8.3176 8.3176 8.4910 8.4910 12.8125 12.8125 13.9752 13.9752 18.3389 18.3389 18.4492 18.4492 k = 0.2823-0.1630 0.2305 ( 1283 PWs) bands (ev): -11.3073 -11.3073 -11.2728 -11.2728 -10.3139 -10.3139 -10.2437 -10.2437 -10.2181 -10.2181 -1.5721 -1.5721 6.0391 6.0391 8.2534 8.2534 8.4287 8.4287 12.7421 12.7421 13.9719 13.9719 18.4267 18.4267 18.4552 18.4552 k = 0.2903-0.1676 0.2370 ( 1283 PWs) bands (ev): -11.3075 -11.3075 -11.2717 -11.2717 -10.3138 -10.3138 -10.2434 -10.2434 -10.2161 -10.2161 -1.4872 -1.4872 5.9025 5.9025 8.1908 8.1908 8.3678 8.3678 12.6709 12.6709 13.9664 13.9664 18.4373 18.4373 18.5471 18.5471 k = 0.2984-0.1723 0.2436 ( 1283 PWs) bands (ev): -11.3076 -11.3076 -11.2706 -11.2706 -10.3137 -10.3137 -10.2431 -10.2431 -10.2140 -10.2140 -1.4006 -1.4006 5.7658 5.7658 8.1300 8.1300 8.3086 8.3086 12.5998 12.5998 13.9581 13.9581 18.4472 18.4472 18.6477 18.6477 k = 0.3065-0.1769 0.2502 ( 1283 PWs) bands (ev): -11.3078 -11.3078 -11.2695 -11.2695 -10.3137 -10.3137 -10.2428 -10.2428 -10.2120 -10.2120 -1.3124 -1.3124 5.6289 5.6289 8.0710 8.0710 8.2512 8.2512 12.5294 12.5294 13.9471 13.9471 18.4645 18.4645 18.7480 18.7480 k = 0.3145-0.1816 0.2568 ( 1275 PWs) bands (ev): -11.3080 -11.3080 -11.2684 -11.2684 -10.3137 -10.3137 -10.2425 -10.2425 -10.2099 -10.2099 -1.2225 -1.2225 5.4921 5.4921 8.0140 8.0140 8.1955 8.1955 12.4603 12.4603 13.9335 13.9335 18.4887 18.4887 18.8475 18.8475 k = 0.3226-0.1862 0.2634 ( 1275 PWs) bands (ev): -11.3081 -11.3081 -11.2674 -11.2674 -10.3137 -10.3137 -10.2422 -10.2422 -10.2079 -10.2079 -1.1312 -1.1312 5.3554 5.3554 7.9588 7.9588 8.1417 8.1417 12.3929 12.3929 13.9174 13.9174 18.5192 18.5192 18.9459 18.9459 k = 0.3306-0.1909 0.2700 ( 1283 PWs) bands (ev): -11.3083 -11.3083 -11.2664 -11.2664 -10.3136 -10.3136 -10.2419 -10.2419 -10.2059 -10.2059 -1.0385 -1.0385 5.2191 5.2191 7.9058 7.9058 8.0898 8.0898 12.3274 12.3274 13.8992 13.8992 18.5552 18.5552 19.0430 19.0430 k = 0.3387-0.1956 0.2766 ( 1283 PWs) bands (ev): -11.3085 -11.3085 -11.2654 -11.2654 -10.3137 -10.3137 -10.2416 -10.2416 -10.2039 -10.2039 -0.9447 -0.9447 5.0832 5.0832 7.8548 7.8548 8.0400 8.0400 12.2640 12.2640 13.8793 13.8793 18.5959 18.5959 19.1385 19.1385 k = 0.3468-0.2002 0.2831 ( 1274 PWs) bands (ev): -11.3087 -11.3087 -11.2645 -11.2645 -10.3137 -10.3137 -10.2414 -10.2414 -10.2020 -10.2020 -0.8498 -0.8498 4.9480 4.9480 7.8059 7.8059 7.9922 7.9922 12.2031 12.2031 13.8579 13.8579 18.6405 18.6405 19.2323 19.2323 k = 0.3548-0.2049 0.2897 ( 1274 PWs) bands (ev): -11.3088 -11.3088 -11.2636 -11.2636 -10.3137 -10.3137 -10.2411 -10.2411 -10.2001 -10.2001 -0.7540 -0.7540 4.8137 4.8137 7.7593 7.7593 7.9466 7.9466 12.1447 12.1447 13.8356 13.8356 18.6883 18.6883 19.3240 19.3240 k = 0.3629-0.2095 0.2963 ( 1274 PWs) bands (ev): -11.3090 -11.3090 -11.2627 -11.2627 -10.3137 -10.3137 -10.2408 -10.2408 -10.1983 -10.1983 -0.6576 -0.6576 4.6805 4.6805 7.7149 7.7149 7.9031 7.9031 12.0891 12.0891 13.8126 13.8126 18.7383 18.7383 19.4133 19.4133 k = 0.3710-0.2142 0.3029 ( 1274 PWs) bands (ev): -11.3092 -11.3092 -11.2619 -11.2619 -10.3137 -10.3137 -10.2406 -10.2406 -10.1965 -10.1965 -0.5608 -0.5608 4.5488 4.5488 7.6729 7.6729 7.8618 7.8618 12.0362 12.0362 13.7893 13.7893 18.7900 18.7900 19.5002 19.5002 k = 0.3790-0.2188 0.3095 ( 1274 PWs) bands (ev): -11.3093 -11.3093 -11.2612 -11.2612 -10.3138 -10.3138 -10.2403 -10.2403 -10.1948 -10.1948 -0.4638 -0.4638 4.4188 4.4188 7.6331 7.6331 7.8229 7.8229 11.9862 11.9862 13.7660 13.7660 18.8426 18.8426 19.5841 19.5841 k = 0.3871-0.2235 0.3161 ( 1274 PWs) bands (ev): -11.3095 -11.3095 -11.2605 -11.2605 -10.3138 -10.3138 -10.2401 -10.2401 -10.1932 -10.1932 -0.3671 -0.3671 4.2909 4.2909 7.5958 7.5958 7.7862 7.7862 11.9392 11.9392 13.7430 13.7430 18.8953 18.8953 19.6649 19.6649 k = 0.3952-0.2281 0.3226 ( 1282 PWs) bands (ev): -11.3096 -11.3096 -11.2598 -11.2598 -10.3139 -10.3139 -10.2399 -10.2399 -10.1916 -10.1916 -0.2709 -0.2709 4.1656 4.1656 7.5609 7.5609 7.7520 7.7520 11.8953 11.8953 13.7206 13.7206 18.9477 18.9477 19.7422 19.7422 k = 0.4032-0.2328 0.3292 ( 1282 PWs) bands (ev): -11.3098 -11.3098 -11.2592 -11.2592 -10.3139 -10.3139 -10.2396 -10.2396 -10.1902 -10.1902 -0.1759 -0.1759 4.0433 4.0433 7.5284 7.5284 7.7201 7.7201 11.8544 11.8544 13.6990 13.6990 18.9989 18.9989 19.8157 19.8157 k = 0.4113-0.2375 0.3358 ( 1278 PWs) bands (ev): -11.3099 -11.3099 -11.2586 -11.2586 -10.3139 -10.3139 -10.2394 -10.2394 -10.1888 -10.1888 -0.0824 -0.0824 3.9246 3.9246 7.4984 7.4984 7.6906 7.6906 11.8167 11.8167 13.6785 13.6785 19.0485 19.0485 19.8850 19.8850 k = 0.4194-0.2421 0.3424 ( 1278 PWs) bands (ev): -11.3100 -11.3100 -11.2581 -11.2581 -10.3140 -10.3140 -10.2392 -10.2392 -10.1876 -10.1876 0.0088 0.0088 3.8102 3.8102 7.4709 7.4709 7.6636 7.6636 11.7822 11.7822 13.6592 13.6592 19.0959 19.0959 19.9499 19.9499 k = 0.4274-0.2468 0.3490 ( 1274 PWs) bands (ev): -11.3101 -11.3101 -11.2576 -11.2576 -10.3140 -10.3140 -10.2391 -10.2391 -10.1864 -10.1864 0.0970 0.0970 3.7010 3.7010 7.4460 7.4460 7.6391 7.6391 11.7509 11.7509 13.6413 13.6413 19.1405 19.1405 20.0099 20.0099 k = 0.4355-0.2514 0.3556 ( 1274 PWs) bands (ev): -11.3103 -11.3103 -11.2572 -11.2572 -10.3140 -10.3140 -10.2389 -10.2389 -10.1854 -10.1854 0.1813 0.1813 3.5978 3.5978 7.4236 7.4236 7.6171 7.6171 11.7228 11.7228 13.6249 13.6249 19.1819 19.1819 20.0647 20.0647 k = 0.4435-0.2561 0.3622 ( 1274 PWs) bands (ev): -11.3104 -11.3104 -11.2568 -11.2568 -10.3141 -10.3141 -10.2388 -10.2388 -10.1844 -10.1844 0.2606 0.2606 3.5017 3.5017 7.4038 7.4038 7.5977 7.5977 11.6980 11.6980 13.6102 13.6102 19.2195 19.2195 20.1140 20.1140 k = 0.4516-0.2607 0.3687 ( 1274 PWs) bands (ev): -11.3104 -11.3104 -11.2565 -11.2565 -10.3141 -10.3141 -10.2386 -10.2386 -10.1836 -10.1836 0.3337 0.3337 3.4139 3.4139 7.3867 7.3867 7.5808 7.5808 11.6765 11.6765 13.5972 13.5972 19.2531 19.2531 20.1574 20.1574 k = 0.4597-0.2654 0.3753 ( 1278 PWs) bands (ev): -11.3105 -11.3105 -11.2562 -11.2562 -10.3141 -10.3141 -10.2385 -10.2385 -10.1829 -10.1829 0.3993 0.3993 3.3360 3.3360 7.3721 7.3721 7.5665 7.5665 11.6583 11.6583 13.5861 13.5861 19.2821 19.2821 20.1947 20.1947 k = 0.4677-0.2701 0.3819 ( 1282 PWs) bands (ev): -11.3106 -11.3106 -11.2560 -11.2560 -10.3141 -10.3141 -10.2384 -10.2384 -10.1824 -10.1824 0.4559 0.4559 3.2692 3.2692 7.3602 7.3602 7.5547 7.5547 11.6433 11.6433 13.5769 13.5769 19.3063 19.3063 20.2257 20.2257 k = 0.4758-0.2747 0.3885 ( 1282 PWs) bands (ev): -11.3106 -11.3106 -11.2558 -11.2558 -10.3141 -10.3141 -10.2384 -10.2384 -10.1819 -10.1819 0.5020 0.5020 3.2152 3.2152 7.3509 7.3509 7.5456 7.5456 11.6317 11.6317 13.5697 13.5697 19.3255 19.3255 20.2500 20.2500 k = 0.4839-0.2794 0.3951 ( 1286 PWs) bands (ev): -11.3106 -11.3106 -11.2557 -11.2557 -10.3141 -10.3141 -10.2383 -10.2383 -10.1816 -10.1816 0.5361 0.5361 3.1754 3.1754 7.3442 7.3442 7.5390 7.5390 11.6234 11.6234 13.5645 13.5645 19.3393 19.3393 20.2675 20.2675 k = 0.4919-0.2840 0.4017 ( 1298 PWs) bands (ev): -11.3107 -11.3107 -11.2556 -11.2556 -10.3141 -10.3141 -10.2383 -10.2383 -10.1814 -10.1814 0.5571 0.5571 3.1510 3.1510 7.3402 7.3402 7.5351 7.5351 11.6184 11.6184 13.5614 13.5614 19.3476 19.3476 20.2780 20.2780 k = 0.5000-0.2887 0.4082 ( 1298 PWs) bands (ev): -11.3107 -11.3107 -11.2555 -11.2555 -10.3141 -10.3141 -10.2383 -10.2383 -10.1813 -10.1813 0.5642 0.5642 3.1427 3.1427 7.3389 7.3389 7.5338 7.5338 11.6167 11.6167 13.5604 13.5604 19.3504 19.3504 20.2815 20.2815 k = 0.5000-0.2887 0.4082 ( 1298 PWs) bands (ev): -11.3107 -11.3107 -11.2555 -11.2555 -10.3141 -10.3141 -10.2383 -10.2383 -10.1813 -10.1813 0.5642 0.5642 3.1427 3.1427 7.3389 7.3389 7.5338 7.5338 11.6167 11.6167 13.5604 13.5604 19.3504 19.3504 20.2815 20.2815 k = 0.5000-0.2794 0.4148 ( 1298 PWs) bands (ev): -11.3114 -11.3099 -11.2559 -11.2552 -10.3155 -10.3128 -10.2387 -10.2379 -10.1818 -10.1810 0.5632 0.5660 3.1432 3.1433 7.3286 7.3434 7.5305 7.5312 11.6178 11.6279 13.5647 13.5652 19.3487 19.3495 20.2680 20.2874 k = 0.5000-0.2701 0.4214 ( 1286 PWs) bands (ev): -11.3121 -11.3091 -11.2562 -11.2549 -10.3168 -10.3114 -10.2391 -10.2374 -10.1823 -10.1808 0.5631 0.5687 3.1447 3.1449 7.3125 7.3423 7.5214 7.5229 11.6313 11.6511 13.5780 13.5791 19.3442 19.3458 20.2454 20.2856 k = 0.5000-0.2607 0.4280 ( 1286 PWs) bands (ev): -11.3128 -11.3082 -11.2566 -11.2545 -10.3180 -10.3099 -10.2395 -10.2370 -10.1830 -10.1807 0.5637 0.5721 3.1472 3.1475 7.2907 7.3355 7.5064 7.5092 11.6568 11.6862 13.6004 13.6019 19.3371 19.3395 20.2115 20.2745 k = 0.5000-0.2514 0.4346 ( 1282 PWs) bands (ev): -11.3134 -11.3073 -11.2569 -11.2542 -10.3192 -10.3084 -10.2399 -10.2365 -10.1838 -10.1807 0.5651 0.5763 3.1508 3.1511 7.2636 7.3235 7.4858 7.4905 11.6943 11.7326 13.6314 13.6334 19.3272 19.3305 20.1636 20.2509 k = 0.5000-0.2421 0.4412 ( 1280 PWs) bands (ev): -11.3139 -11.3063 -11.2573 -11.2539 -10.3204 -10.3069 -10.2402 -10.2360 -10.1847 -10.1808 0.5673 0.5813 3.1553 3.1557 7.2315 7.3064 7.4601 7.4671 11.7431 11.7898 13.6709 13.6733 19.3147 19.3188 20.1004 20.2108 k = 0.5000-0.2328 0.4478 ( 1280 PWs) bands (ev): -11.3145 -11.3054 -11.2576 -11.2536 -10.3215 -10.3053 -10.2406 -10.2355 -10.1858 -10.1810 0.5703 0.5870 3.1608 3.1612 7.1948 7.2847 7.4295 7.4395 11.8029 11.8572 13.7185 13.7214 19.2995 19.3044 20.0215 20.1521 k = 0.5000-0.2235 0.4543 ( 1280 PWs) bands (ev): -11.3149 -11.3044 -11.2580 -11.2533 -10.3227 -10.3037 -10.2410 -10.2350 -10.1869 -10.1814 0.5739 0.5934 3.1671 3.1677 7.1540 7.2587 7.3948 7.4083 11.8729 11.9342 13.7738 13.7770 19.2816 19.2873 19.9278 20.0752 k = 0.5000-0.2142 0.4609 ( 1276 PWs) bands (ev): -11.3153 -11.3033 -11.2583 -11.2530 -10.3238 -10.3020 -10.2413 -10.2344 -10.1882 -10.1818 0.5782 0.6004 3.1744 3.1750 7.1096 7.2288 7.3564 7.3738 11.9526 12.0200 13.8363 13.8398 19.2610 19.2676 19.8209 19.9821 k = 0.5000-0.2049 0.4675 ( 1280 PWs) bands (ev): -11.3157 -11.3023 -11.2587 -11.2527 -10.3248 -10.3002 -10.2417 -10.2338 -10.1896 -10.1823 0.5831 0.6081 3.1824 3.1831 7.0624 7.1956 7.3150 7.3366 12.0413 12.1139 13.9056 13.9093 19.2377 19.2452 19.7023 19.8753 k = 0.5000-0.1956 0.4741 ( 1276 PWs) bands (ev): -11.3161 -11.3012 -11.2590 -11.2524 -10.3258 -10.2985 -10.2420 -10.2331 -10.1910 -10.1829 0.5886 0.6162 3.1912 3.1920 7.0128 7.1596 7.2712 7.2971 12.1383 12.2153 13.9809 13.9849 19.2118 19.2201 19.5739 19.7568 k = 0.5000-0.1862 0.4807 ( 1280 PWs) bands (ev): -11.3164 -11.3002 -11.2594 -11.2521 -10.3268 -10.2966 -10.2423 -10.2325 -10.1926 -10.1836 0.5946 0.6249 3.2007 3.2015 6.9616 7.1211 7.2255 7.2557 12.2428 12.3234 14.0619 14.0659 19.1833 19.1918 19.4372 19.6285 k = 0.5000-0.1769 0.4873 ( 1280 PWs) bands (ev): -11.3166 -11.2991 -11.2597 -11.2518 -10.3278 -10.2947 -10.2427 -10.2318 -10.1943 -10.1844 0.6010 0.6339 3.2108 3.2117 6.9092 7.0808 7.1787 7.2131 12.3542 12.4376 14.1477 14.1518 19.1520 19.1589 19.2953 19.4921 k = 0.5000-0.1676 0.4938 ( 1280 PWs) bands (ev): -11.3168 -11.2980 -11.2600 -11.2516 -10.3288 -10.2928 -10.2430 -10.2310 -10.1960 -10.1852 0.6078 0.6432 3.2214 3.2223 6.8563 7.0390 7.1312 7.1695 12.4719 12.5573 14.2378 14.2419 19.1048 19.1178 19.1660 19.3493 k = 0.5000-0.1583 0.5004 ( 1284 PWs) bands (ev): -11.3170 -11.2969 -11.2604 -11.2514 -10.3297 -10.2908 -10.2434 -10.2303 -10.1979 -10.1862 0.6148 0.6528 3.2324 3.2334 6.8034 6.9964 7.0835 7.1254 12.5951 12.6818 14.3315 14.3355 18.9722 19.0790 19.1076 19.2029 k = 0.5000-0.1490 0.5070 ( 1282 PWs) bands (ev): -11.3172 -11.2958 -11.2607 -11.2511 -10.3306 -10.2888 -10.2437 -10.2295 -10.1998 -10.1871 0.6221 0.6625 3.2438 3.2448 6.7510 6.9534 7.0362 7.0813 12.7233 12.8106 14.4280 14.4318 18.8145 19.0167 19.0679 19.0733 k = 0.5000-0.1397 0.5136 ( 1282 PWs) bands (ev): -11.3173 -11.2948 -11.2610 -11.2509 -10.3314 -10.2867 -10.2441 -10.2286 -10.2018 -10.1882 0.6295 0.6723 3.2554 3.2564 6.6995 6.9105 6.9895 7.0376 12.8558 12.9428 14.5267 14.5302 18.6512 18.8778 19.0147 19.0286 k = 0.5000-0.1304 0.5202 ( 1280 PWs) bands (ev): -11.3174 -11.2938 -11.2614 -11.2507 -10.3322 -10.2845 -10.2444 -10.2277 -10.2038 -10.1893 0.6370 0.6821 3.2670 3.2681 6.6494 6.8682 6.9439 6.9945 12.9920 13.0780 14.6266 14.6298 18.4847 18.7201 18.9704 18.9882 k = 0.5000-0.1211 0.5268 ( 1280 PWs) bands (ev): -11.3175 -11.2928 -11.2617 -11.2505 -10.3330 -10.2824 -10.2447 -10.2268 -10.2059 -10.1904 0.6444 0.6917 3.2787 3.2798 6.6011 6.8269 6.8997 6.9526 13.1312 13.2154 14.7270 14.7297 18.3164 18.5591 18.9265 18.9465 k = 0.5000-0.1117 0.5334 ( 1272 PWs) bands (ev): -11.3175 -11.2918 -11.2620 -11.2504 -10.3337 -10.2802 -10.2451 -10.2259 -10.2080 -10.1916 0.6517 0.7011 3.2902 3.2914 6.5549 6.7871 6.8573 6.9122 13.2727 13.3544 14.8269 14.8291 18.1472 18.3969 18.8819 18.9039 k = 0.5000-0.1024 0.5399 ( 1268 PWs) bands (ev): -11.3176 -11.2909 -11.2623 -11.2502 -10.3344 -10.2780 -10.2454 -10.2249 -10.2101 -10.1927 0.6588 0.7102 3.3015 3.3026 6.5112 6.7491 6.8170 6.8736 13.4158 13.4939 14.9255 14.9270 17.9781 18.2351 18.8367 18.8606 k = 0.5000-0.0931 0.5465 ( 1268 PWs) bands (ev): -11.3176 -11.2900 -11.2626 -11.2501 -10.3350 -10.2758 -10.2458 -10.2239 -10.2122 -10.1940 0.6656 0.7189 3.3124 3.3135 6.4703 6.7133 6.7791 6.8372 13.5595 13.6332 15.0216 15.0225 17.8102 18.0749 18.7913 18.8171 k = 0.5000-0.0838 0.5531 ( 1268 PWs) bands (ev): -11.3176 -11.2891 -11.2629 -11.2499 -10.3356 -10.2735 -10.2462 -10.2229 -10.2143 -10.1952 0.6720 0.7271 3.3227 3.3239 6.4324 6.6800 6.7438 6.8032 13.7028 13.7710 15.1142 15.1143 17.6447 17.9175 18.7463 18.7740 k = 0.5000-0.0745 0.5597 ( 1274 PWs) bands (ev): -11.3176 -11.2884 -11.2631 -11.2498 -10.3362 -10.2713 -10.2467 -10.2219 -10.2164 -10.1964 0.6780 0.7347 3.3324 3.3336 6.3979 6.6495 6.7114 6.7720 13.8444 13.9060 15.2014 15.2022 17.4829 17.7647 18.7024 18.7318 k = 0.5000-0.0652 0.5663 ( 1274 PWs) bands (ev): -11.3176 -11.2877 -11.2634 -11.2497 -10.3367 -10.2690 -10.2471 -10.2208 -10.2184 -10.1976 0.6835 0.7416 3.3413 3.3425 6.3669 6.6221 6.6822 6.7438 13.9827 14.0364 15.2827 15.2842 17.3267 17.6182 18.6603 18.6915 k = 0.5000-0.0559 0.5729 ( 1274 PWs) bands (ev): -11.3176 -11.2870 -11.2636 -11.2496 -10.3371 -10.2669 -10.2477 -10.2202 -10.2198 -10.1988 0.6884 0.7478 3.3493 3.3505 6.3396 6.5979 6.6564 6.7188 14.1155 14.1603 15.3567 15.3591 17.1781 17.4802 18.6209 18.6538 k = 0.5000-0.0466 0.5794 ( 1266 PWs) bands (ev): -11.3176 -11.2865 -11.2638 -11.2495 -10.3374 -10.2647 -10.2482 -10.2219 -10.2189 -10.1999 0.6927 0.7532 3.3562 3.3574 6.3162 6.5771 6.6341 6.6973 14.2401 14.2749 15.4223 15.4254 17.0401 17.3535 18.5852 18.6196 k = 0.5000-0.0372 0.5860 ( 1262 PWs) bands (ev): -11.3176 -11.2860 -11.2640 -11.2495 -10.3377 -10.2627 -10.2489 -10.2234 -10.2179 -10.2009 0.6962 0.7576 3.3621 3.3633 6.2969 6.5599 6.6157 6.6795 14.3529 14.3770 15.4781 15.4820 16.9161 17.2414 18.5541 18.5899 k = 0.5000-0.0279 0.5926 ( 1260 PWs) bands (ev): -11.3175 -11.2857 -11.2641 -11.2494 -10.3380 -10.2609 -10.2497 -10.2247 -10.2171 -10.2018 0.6990 0.7612 3.3667 3.3679 6.2818 6.5464 6.6011 6.6654 14.4495 14.4628 15.5230 15.5275 16.8109 17.1478 18.5287 18.5657 k = 0.5000-0.0186 0.5992 ( 1256 PWs) bands (ev): -11.3175 -11.2854 -11.2642 -11.2494 -10.3381 -10.2592 -10.2505 -10.2256 -10.2165 -10.2025 0.7011 0.7637 3.3701 3.3713 6.2709 6.5367 6.5907 6.6553 14.5244 14.5283 15.5559 15.5608 16.7297 17.0767 18.5099 18.5477 k = 0.5000-0.0093 0.6058 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3382 -10.2580 -10.2512 -10.2262 -10.2161 -10.2030 0.7023 0.7653 3.3722 3.3733 6.2643 6.5309 6.5844 6.6492 14.5695 14.5723 15.5761 15.5812 16.6780 17.0321 18.4982 18.5366 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3383 -10.2575 -10.2514 -10.2264 -10.2159 -10.2032 0.7027 0.7658 3.3728 3.3740 6.2621 6.5289 6.5822 6.6471 14.5836 14.5888 15.5828 15.5881 16.6602 17.0168 18.4943 18.5328 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3383 -10.2575 -10.2514 -10.2264 -10.2159 -10.2032 0.7027 0.7658 3.3728 3.3740 6.2621 6.5289 6.5822 6.6471 14.5836 14.5888 15.5828 15.5881 16.6602 17.0168 18.4943 18.5328 k = 0.4943 0.0098 0.6124 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3382 -10.2578 -10.2513 -10.2263 -10.2160 -10.2031 0.7013 0.7642 3.3732 3.3744 6.2578 6.5173 6.5884 6.6655 14.5757 14.5803 15.5783 15.5831 16.6693 17.0239 18.4991 18.5384 k = 0.4886 0.0197 0.6124 ( 1256 PWs) bands (ev): -11.3175 -11.2853 -11.2643 -11.2494 -10.3381 -10.2585 -10.2510 -10.2261 -10.2162 -10.2029 0.6972 0.7598 3.3741 3.3753 6.2451 6.4884 6.6129 6.7082 14.5498 14.5555 15.5658 15.5695 16.6972 17.0459 18.5128 18.5541 k = 0.4830 0.0295 0.6124 ( 1261 PWs) bands (ev): -11.3174 -11.2855 -11.2644 -11.2493 -10.3379 -10.2595 -10.2505 -10.2258 -10.2165 -10.2025 0.6910 0.7531 3.3753 3.3764 6.2254 6.4537 6.6541 6.7631 14.5040 14.5150 15.5473 15.5500 16.7434 17.0835 18.5343 18.5781 k = 0.4773 0.0394 0.6124 ( 1265 PWs) bands (ev): -11.3174 -11.2858 -11.2645 -11.2493 -10.3376 -10.2608 -10.2500 -10.2253 -10.2168 -10.2020 0.6829 0.7444 3.3763 3.3774 6.2015 6.4181 6.7081 6.8259 14.4393 14.4582 15.5252 15.5277 16.8061 17.1358 18.5625 18.6087 k = 0.4716 0.0492 0.6124 ( 1265 PWs) bands (ev): -11.3172 -11.2861 -11.2646 -11.2493 -10.3373 -10.2622 -10.2496 -10.2247 -10.2173 -10.2015 0.6735 0.7342 3.3771 3.3781 6.1752 6.3830 6.7719 6.8951 14.3576 14.3854 15.5018 15.5052 16.8828 17.2016 18.5961 18.6445 k = 0.4659 0.0590 0.6124 ( 1265 PWs) bands (ev): -11.3171 -11.2865 -11.2647 -11.2492 -10.3368 -10.2638 -10.2492 -10.2241 -10.2177 -10.2009 0.6629 0.7229 3.3775 3.3784 6.1481 6.3492 6.8436 6.9693 14.2615 14.2982 15.4791 15.4839 16.9711 17.2789 18.6338 18.6842 k = 0.4602 0.0689 0.6124 ( 1269 PWs) bands (ev): -11.3169 -11.2870 -11.2648 -11.2491 -10.3363 -10.2655 -10.2488 -10.2234 -10.2182 -10.2003 0.6516 0.7107 3.3774 3.3783 6.1210 6.3169 6.9214 7.0477 14.1539 14.1988 15.4581 15.4645 17.0688 17.3661 18.6745 18.7266 k = 0.4545 0.0787 0.6124 ( 1269 PWs) bands (ev): -11.3167 -11.2875 -11.2649 -11.2490 -10.3357 -10.2672 -10.2485 -10.2227 -10.2187 -10.1996 0.6399 0.6981 3.3769 3.3777 6.0946 6.2863 7.0039 7.1293 14.0379 14.0897 15.4391 15.4472 17.1740 17.4612 18.7170 18.7705 k = 0.4489 0.0886 0.6124 ( 1269 PWs) bands (ev): -11.3165 -11.2881 -11.2650 -11.2489 -10.3350 -10.2689 -10.2483 -10.2219 -10.2192 -10.1990 0.6280 0.6853 3.3759 3.3767 6.0691 6.2575 7.0899 7.2130 13.9164 13.9737 15.4223 15.4318 17.2852 17.5628 18.7603 18.8152 k = 0.4432 0.0984 0.6124 ( 1272 PWs) bands (ev): -11.3163 -11.2887 -11.2651 -11.2488 -10.3343 -10.2707 -10.2481 -10.2212 -10.2196 -10.1983 0.6162 0.6726 3.3746 3.3752 6.0450 6.2307 7.1782 7.2979 13.7923 13.8535 15.4073 15.4182 17.4011 17.6695 18.8036 18.8598 k = 0.4375 0.1083 0.6124 ( 1274 PWs) bands (ev): -11.3160 -11.2894 -11.2652 -11.2487 -10.3335 -10.2725 -10.2479 -10.2207 -10.2198 -10.1977 0.6046 0.6601 3.3729 3.3735 6.0225 6.2058 7.2676 7.3828 13.6680 13.7316 15.3942 15.4061 17.5206 17.7800 18.8460 18.9036 k = 0.4318 0.1181 0.6124 ( 1271 PWs) bands (ev): -11.3157 -11.2902 -11.2653 -11.2486 -10.3327 -10.2743 -10.2477 -10.2208 -10.2194 -10.1971 0.5935 0.6481 3.3709 3.3714 6.0015 6.1829 7.3569 7.4665 13.5458 13.6102 15.3825 15.3953 17.6427 17.8931 18.8868 18.9460 k = 0.4261 0.1279 0.6124 ( 1269 PWs) bands (ev): -11.3154 -11.2909 -11.2654 -11.2484 -10.3318 -10.2760 -10.2476 -10.2211 -10.2188 -10.1965 0.5830 0.6368 3.3688 3.3693 5.9824 6.1621 7.4446 7.5478 13.4280 13.4916 15.3722 15.3857 17.7664 18.0076 18.9252 18.9864 k = 0.4205 0.1378 0.6124 ( 1268 PWs) bands (ev): -11.3150 -11.2916 -11.2655 -11.2483 -10.3310 -10.2777 -10.2475 -10.2215 -10.2181 -10.1960 0.5732 0.6264 3.3667 3.3671 5.9650 6.1434 7.5296 7.6252 13.3164 13.3779 15.3632 15.3773 17.8907 18.1221 18.9607 19.0243 k = 0.4148 0.1476 0.6124 ( 1268 PWs) bands (ev): -11.3147 -11.2924 -11.2655 -11.2482 -10.3301 -10.2792 -10.2474 -10.2218 -10.2175 -10.1956 0.5644 0.6168 3.3645 3.3649 5.9496 6.1269 7.6103 7.6974 13.2130 13.2709 15.3553 15.3699 18.0145 18.2353 18.9928 19.0595 k = 0.4091 0.1575 0.6124 ( 1274 PWs) bands (ev): -11.3144 -11.2931 -11.2656 -11.2481 -10.3293 -10.2807 -10.2473 -10.2221 -10.2170 -10.1951 0.5565 0.6083 3.3625 3.3628 5.9362 6.1125 7.6854 7.7629 13.1196 13.1726 15.3485 15.3635 18.1366 18.3453 19.0211 19.0913 k = 0.4034 0.1673 0.6124 ( 1274 PWs) bands (ev): -11.3140 -11.2937 -11.2656 -11.2480 -10.3286 -10.2819 -10.2473 -10.2223 -10.2166 -10.1948 0.5497 0.6010 3.3606 3.3609 5.9247 6.1003 7.7534 7.8203 13.0380 13.0849 15.3428 15.3581 18.2552 18.4499 19.0452 19.1194 k = 0.3977 0.1771 0.6124 ( 1274 PWs) bands (ev): -11.3138 -11.2942 -11.2657 -11.2480 -10.3279 -10.2831 -10.2472 -10.2225 -10.2162 -10.1945 0.5440 0.5949 3.3589 3.3593 5.9153 6.0903 7.8127 7.8682 12.9697 13.0093 15.3382 15.3537 18.3678 18.5459 19.0649 19.1429 k = 0.3920 0.1870 0.6124 ( 1274 PWs) bands (ev): -11.3135 -11.2947 -11.2657 -11.2479 -10.3274 -10.2840 -10.2472 -10.2227 -10.2159 -10.1943 0.5395 0.5901 3.3576 3.3580 5.9080 6.0824 7.8621 7.9054 12.9161 12.9475 15.3345 15.3502 18.4704 18.6292 19.0802 19.1601 k = 0.3864 0.1968 0.6124 ( 1274 PWs) bands (ev): -11.3133 -11.2950 -11.2657 -11.2478 -10.3269 -10.2846 -10.2472 -10.2228 -10.2157 -10.1941 0.5363 0.5866 3.3566 3.3570 5.9027 6.0769 7.9001 7.9309 12.8783 12.9010 15.3319 15.3478 18.5568 18.6946 19.0913 19.1690 k = 0.3807 0.2067 0.6124 ( 1276 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3267 -10.2850 -10.2472 -10.2228 -10.2155 -10.1940 0.5343 0.5845 3.3560 3.3564 5.8996 6.0735 7.9255 7.9445 12.8568 12.8711 15.3304 15.3463 18.6169 18.7365 19.0985 19.1699 k = 0.3750 0.2165 0.6124 ( 1288 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3266 -10.2852 -10.2472 -10.2229 -10.2155 -10.1940 0.5337 0.5838 3.3558 3.3562 5.8985 6.0724 7.9351 7.9480 12.8503 12.8603 15.3299 15.3458 18.6390 18.7510 19.1011 19.1685 k = 0.3750 0.2165 0.6124 ( 1288 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3266 -10.2852 -10.2472 -10.2229 -10.2155 -10.1940 0.5337 0.5838 3.3558 3.3562 5.8985 6.0724 7.9351 7.9480 12.8503 12.8603 15.3299 15.3458 18.6390 18.7510 19.1011 19.1685 k = 0.3692 0.2132 0.6030 ( 1284 PWs) bands (ev): -11.3127 -11.2952 -11.2664 -11.2476 -10.3262 -10.2843 -10.2477 -10.2219 -10.2179 -10.1950 0.5116 0.5622 3.3770 3.3779 5.8601 6.0343 7.9795 7.9922 12.9148 12.9212 15.4170 15.4300 18.5454 18.6710 19.0388 19.0826 k = 0.3635 0.2098 0.5935 ( 1284 PWs) bands (ev): -11.3121 -11.2950 -11.2670 -11.2475 -10.3258 -10.2834 -10.2482 -10.2216 -10.2197 -10.1961 0.4852 0.5358 3.4004 3.4018 5.8298 6.0041 8.0253 8.0380 12.9794 12.9823 15.4931 15.5030 18.4493 18.5858 18.9695 18.9963 k = 0.3577 0.2065 0.5841 ( 1288 PWs) bands (ev): -11.3116 -11.2950 -11.2677 -11.2474 -10.3253 -10.2826 -10.2487 -10.2235 -10.2194 -10.1971 0.4542 0.5045 3.4261 3.4283 5.8078 5.9818 8.0725 8.0853 13.0437 13.0441 15.5572 15.5641 18.3515 18.4967 18.8951 18.9098 k = 0.3519 0.2032 0.5747 ( 1288 PWs) bands (ev): -11.3110 -11.2949 -11.2683 -11.2474 -10.3247 -10.2818 -10.2492 -10.2259 -10.2185 -10.1981 0.4185 0.4681 3.4547 3.4578 5.7940 5.9675 8.1211 8.1339 13.1053 13.1089 15.6089 15.6131 18.2528 18.4047 18.8175 18.8236 k = 0.3462 0.1999 0.5653 ( 1288 PWs) bands (ev): -11.3104 -11.2950 -11.2690 -11.2474 -10.3241 -10.2811 -10.2498 -10.2285 -10.2175 -10.1991 0.3779 0.4265 3.4863 3.4906 5.7883 5.9610 8.1709 8.1838 13.1672 13.1737 15.6482 15.6501 18.1535 18.3105 18.7379 18.7380 k = 0.3404 0.1965 0.5558 ( 1288 PWs) bands (ev): -11.3098 -11.2951 -11.2697 -11.2476 -10.3234 -10.2804 -10.2503 -10.2311 -10.2165 -10.2001 0.3325 0.3797 3.5213 3.5271 5.7905 5.9624 8.2219 8.2349 13.2294 13.2387 15.6755 15.6755 18.0541 18.2150 18.6529 18.6575 k = 0.3346 0.1932 0.5464 ( 1290 PWs) bands (ev): -11.3092 -11.2952 -11.2704 -11.2478 -10.3228 -10.2798 -10.2508 -10.2337 -10.2156 -10.2010 0.2822 0.3279 3.5600 3.5673 5.8004 5.9713 8.2740 8.2871 13.2916 13.3036 15.6900 15.6916 17.9550 18.1187 18.5687 18.5768 k = 0.3288 0.1899 0.5370 ( 1288 PWs) bands (ev): -11.3086 -11.2953 -11.2711 -11.2480 -10.3221 -10.2792 -10.2514 -10.2364 -10.2147 -10.2019 0.2272 0.2711 3.6026 3.6117 5.8176 5.9875 8.3271 8.3403 13.3539 13.3683 15.6946 15.6973 17.8563 18.0221 18.4856 18.4962 k = 0.3231 0.1865 0.5276 ( 1288 PWs) bands (ev): -11.3079 -11.2955 -11.2718 -11.2484 -10.3214 -10.2786 -10.2519 -10.2390 -10.2139 -10.2027 0.1678 0.2097 3.6492 3.6604 5.8420 6.0107 8.3812 8.3945 13.4160 13.4327 15.6904 15.6939 17.7584 17.9257 18.4036 18.4163 k = 0.3173 0.1832 0.5182 ( 1280 PWs) bands (ev): -11.3073 -11.2958 -11.2725 -11.2488 -10.3206 -10.2780 -10.2525 -10.2416 -10.2131 -10.2035 0.1041 0.1438 3.7000 3.7134 5.8731 6.0407 8.4360 8.4495 13.4778 13.4963 15.6784 15.6827 17.6615 17.8298 18.3230 18.3371 k = 0.3115 0.1799 0.5087 ( 1272 PWs) bands (ev): -11.3067 -11.2960 -11.2732 -11.2493 -10.3199 -10.2775 -10.2530 -10.2442 -10.2124 -10.2042 0.0364 0.0739 3.7551 3.7709 5.9105 6.0771 8.4916 8.5052 13.5387 13.5590 15.6601 15.6649 17.5657 17.7347 18.2437 18.2591 k = 0.3058 0.1765 0.4993 ( 1272 PWs) bands (ev): -11.3061 -11.2963 -11.2739 -11.2499 -10.3192 -10.2770 -10.2536 -10.2469 -10.2118 -10.2049 -0.0349 0.0003 3.8145 3.8328 5.9541 6.1196 8.5478 8.5615 13.5986 13.6202 15.6365 15.6420 17.4714 17.6408 18.1659 18.1823 k = 0.3000 0.1732 0.4899 ( 1280 PWs) bands (ev): -11.3055 -11.2966 -11.2746 -11.2506 -10.3186 -10.2765 -10.2541 -10.2494 -10.2113 -10.2056 -0.1095 -0.0766 3.8782 3.8991 6.0033 6.1678 8.6045 8.6184 13.6569 13.6794 15.6090 15.6154 17.3787 17.5483 18.0898 18.1069 k = 0.2942 0.1699 0.4805 ( 1286 PWs) bands (ev): -11.3049 -11.2969 -11.2753 -11.2513 -10.3179 -10.2761 -10.2546 -10.2520 -10.2108 -10.2062 -0.1870 -0.1565 3.9462 3.9698 6.0579 6.2215 8.6616 8.6757 13.7130 13.7359 15.5789 15.5864 17.2878 17.4576 18.0153 18.0331 k = 0.2885 0.1665 0.4711 ( 1286 PWs) bands (ev): -11.3043 -11.2973 -11.2760 -11.2522 -10.3173 -10.2756 -10.2551 -10.2546 -10.2105 -10.2068 -0.2671 -0.2388 4.0184 4.0448 6.1176 6.2803 8.7191 8.7333 13.7662 13.7890 15.5474 15.5566 17.1990 17.3688 17.9425 17.9608 k = 0.2827 0.1632 0.4616 ( 1284 PWs) bands (ev): -11.3037 -11.2976 -11.2767 -11.2531 -10.3167 -10.2752 -10.2571 -10.2555 -10.2102 -10.2074 -0.3494 -0.3233 4.0948 4.1239 6.1821 6.3440 8.7767 8.7911 13.8157 13.8377 15.5159 15.5274 17.1124 17.2823 17.8716 17.8903 k = 0.2769 0.1599 0.4522 ( 1288 PWs) bands (ev): -11.3032 -11.2980 -11.2774 -11.2540 -10.3162 -10.2747 -10.2596 -10.2560 -10.2101 -10.2080 -0.4335 -0.4095 4.1753 4.2072 6.2510 6.4123 8.8344 8.8491 13.8606 13.8810 15.4857 15.5003 17.0284 17.1984 17.8024 17.8215 k = 0.2712 0.1566 0.4428 ( 1288 PWs) bands (ev): -11.3026 -11.2984 -11.2781 -11.2551 -10.3157 -10.2743 -10.2620 -10.2564 -10.2101 -10.2085 -0.5190 -0.4971 4.2597 4.2944 6.3243 6.4849 8.8921 8.9069 13.8998 13.9177 15.4582 15.4767 16.9473 17.1172 17.7351 17.7545 k = 0.2654 0.1532 0.4334 ( 1284 PWs) bands (ev): -11.3021 -11.2988 -11.2788 -11.2562 -10.3153 -10.2739 -10.2644 -10.2568 -10.2101 -10.2090 -0.6057 -0.5858 4.3479 4.3854 6.4015 6.5615 8.9497 8.9647 13.9322 13.9466 15.4346 15.4581 16.8693 17.0392 17.6697 17.6894 k = 0.2596 0.1499 0.4240 ( 1278 PWs) bands (ev): -11.3016 -11.2991 -11.2795 -11.2573 -10.3149 -10.2734 -10.2668 -10.2571 -10.2103 -10.2095 -0.6933 -0.6752 4.4399 4.4801 6.4825 6.6420 9.0070 9.0222 13.9567 13.9667 15.4162 15.4454 16.7948 16.9647 17.6062 17.6261 k = 0.2538 0.1466 0.4145 ( 1278 PWs) bands (ev): -11.3012 -11.2995 -11.2801 -11.2585 -10.3146 -10.2730 -10.2692 -10.2574 -10.2106 -10.2101 -0.7814 -0.7650 4.5355 4.5783 6.5670 6.7261 9.0640 9.0793 13.9723 13.9771 15.4038 15.4396 16.7242 16.8941 17.5445 17.5646 k = 0.2481 0.1432 0.4051 ( 1278 PWs) bands (ev): -11.3008 -11.2999 -11.2808 -11.2598 -10.3143 -10.2726 -10.2714 -10.2577 -10.2110 -10.2106 -0.8698 -0.8550 4.6346 4.6800 6.6548 6.8135 9.1204 9.1360 13.9773 13.9783 15.3981 15.4408 16.6582 16.8277 17.4848 17.5050 k = 0.2423 0.1399 0.3957 ( 1288 PWs) bands (ev): -11.3004 -11.3003 -11.2815 -11.2611 -10.3141 -10.2738 -10.2720 -10.2580 -10.2116 -10.2111 -0.9582 -0.9449 4.7371 4.7849 6.7457 6.9041 9.1763 9.1921 13.9672 13.9744 15.3991 15.4488 16.5972 16.7660 17.4269 17.4472 k = 0.2365 0.1366 0.3863 ( 1288 PWs) bands (ev): -11.3007 -11.3000 -11.2821 -11.2625 -10.3139 -10.2760 -10.2716 -10.2582 -10.2122 -10.2117 -1.0464 -1.0345 4.8428 4.8931 6.8396 6.9977 9.2315 9.2474 13.9472 13.9605 15.4063 15.4625 16.5422 16.7096 17.3709 17.3912 k = 0.2308 0.1332 0.3768 ( 1288 PWs) bands (ev): -11.3011 -11.2996 -11.2827 -11.2639 -10.3138 -10.2782 -10.2711 -10.2584 -10.2130 -10.2122 -1.1342 -1.1235 4.9517 5.0043 6.9362 7.0940 9.2859 9.3020 13.9179 13.9373 15.4188 15.4804 16.4940 16.6590 17.3168 17.3371 k = 0.2250 0.1299 0.3674 ( 1284 PWs) bands (ev): -11.3015 -11.2993 -11.2834 -11.2653 -10.3138 -10.2803 -10.2706 -10.2585 -10.2138 -10.2128 -1.2213 -1.2118 5.0636 5.1184 7.0353 7.1928 9.3394 9.3556 13.8804 13.9054 15.4351 15.5004 16.4537 16.6150 17.2645 17.2847 k = 0.2192 0.1266 0.3580 ( 1283 PWs) bands (ev): -11.3018 -11.2991 -11.2840 -11.2668 -10.3138 -10.2824 -10.2701 -10.2586 -10.2148 -10.2135 -1.3076 -1.2992 5.1784 5.2353 7.1367 7.2940 9.3919 9.4083 13.8356 13.8659 15.4535 15.5203 16.4224 16.5780 17.2142 17.2341 k = 0.2135 0.1232 0.3486 ( 1287 PWs) bands (ev): -11.3022 -11.2988 -11.2846 -11.2682 -10.3138 -10.2845 -10.2696 -10.2586 -10.2158 -10.2141 -1.3930 -1.3855 5.2960 5.3549 7.2403 7.3973 9.4433 9.4598 13.7847 13.8196 15.4723 15.5378 16.4013 16.5487 17.1658 17.1853 k = 0.2077 0.1199 0.3392 ( 1287 PWs) bands (ev): -11.3026 -11.2986 -11.2852 -11.2697 -10.3139 -10.2865 -10.2691 -10.2587 -10.2169 -10.2149 -1.4771 -1.4706 5.4164 5.4771 7.3458 7.5025 9.4935 9.5101 13.7286 13.7677 15.4897 15.5509 16.3911 16.5275 17.1195 17.1384 k = 0.2019 0.1166 0.3297 ( 1289 PWs) bands (ev): -11.3029 -11.2985 -11.2858 -11.2713 -10.3140 -10.2885 -10.2685 -10.2587 -10.2181 -10.2156 -1.5600 -1.5543 5.5393 5.6018 7.4531 7.6095 9.5424 9.5591 13.6681 13.7109 15.5045 15.5582 16.3920 16.5143 17.0754 17.0934 k = 0.1962 0.1132 0.3203 ( 1289 PWs) bands (ev): -11.3032 -11.2984 -11.2864 -11.2728 -10.3142 -10.2905 -10.2680 -10.2586 -10.2194 -10.2164 -1.6415 -1.6365 5.6647 5.7288 7.5619 7.7179 9.5900 9.6068 13.6042 13.6502 15.5155 15.5592 16.4030 16.5089 17.0338 17.0506 k = 0.1904 0.1099 0.3109 ( 1289 PWs) bands (ev): -11.3036 -11.2983 -11.2869 -11.2743 -10.3144 -10.2924 -10.2674 -10.2585 -10.2207 -10.2173 -1.7215 -1.7171 5.7925 5.8581 7.6720 7.8276 9.6362 9.6530 13.5373 13.5863 15.5223 15.5545 16.4226 16.5101 16.9951 17.0101 k = 0.1846 0.1066 0.3015 ( 1281 PWs) bands (ev): -11.3039 -11.2982 -11.2875 -11.2759 -10.3147 -10.2943 -10.2668 -10.2584 -10.2221 -10.2182 -1.7998 -1.7960 5.9225 5.9895 7.7833 7.9384 9.6809 9.6977 13.4681 13.5196 15.5250 15.5449 16.4482 16.5162 16.9599 16.9726 k = 0.1788 0.1033 0.2921 ( 1281 PWs) bands (ev): -11.3042 -11.2982 -11.2881 -11.2774 -10.3150 -10.2961 -10.2662 -10.2582 -10.2235 -10.2191 -1.8764 -1.8731 6.0548 6.1229 7.8954 8.0500 9.7240 9.7409 13.3969 13.4506 15.5241 15.5317 16.4767 16.5249 16.9293 16.9387 k = 0.1731 0.0999 0.2826 ( 1293 PWs) bands (ev): -11.3044 -11.2982 -11.2886 -11.2789 -10.3153 -10.2979 -10.2656 -10.2581 -10.2250 -10.2201 -1.9512 -1.9484 6.1891 6.2583 8.0082 8.1621 9.7656 9.7824 13.3242 13.3799 15.5164 15.5203 16.5048 16.5331 16.9043 16.9097 k = 0.1673 0.0966 0.2732 ( 1293 PWs) bands (ev): -11.3047 -11.2983 -11.2892 -11.2804 -10.3156 -10.2997 -10.2649 -10.2578 -10.2265 -10.2211 -2.0240 -2.0216 6.3254 6.3955 8.1214 8.2745 9.8055 9.8223 13.2503 13.3076 15.5000 15.5145 16.5287 16.5379 16.8862 16.8871 k = 0.1615 0.0933 0.2638 ( 1293 PWs) bands (ev): -11.3049 -11.2983 -11.2898 -11.2819 -10.3160 -10.3014 -10.2643 -10.2576 -10.2280 -10.2222 -2.0949 -2.0929 6.4635 6.5343 8.2347 8.3870 9.8438 9.8606 13.1754 13.2340 15.4837 15.5075 16.5367 16.5447 16.8728 16.8758 k = 0.1558 0.0899 0.2544 ( 1291 PWs) bands (ev): -11.3052 -11.2984 -11.2904 -11.2834 -10.3164 -10.3031 -10.2636 -10.2573 -10.2295 -10.2233 -2.1637 -2.1620 6.6034 6.6748 8.3479 8.4991 9.8804 9.8971 13.0996 13.1594 15.4682 15.5002 16.5283 16.5502 16.8676 16.8727 k = 0.1500 0.0866 0.2449 ( 1291 PWs) bands (ev): -11.3054 -11.2986 -11.2909 -11.2849 -10.3169 -10.3047 -10.2630 -10.2570 -10.2311 -10.2244 -2.2304 -2.2290 6.7449 6.8167 8.4607 8.6108 9.9153 9.9319 13.0231 13.0838 15.4541 15.4933 16.5130 16.5449 16.8704 16.8750 k = 0.1442 0.0833 0.2355 ( 1291 PWs) bands (ev): -11.3056 -11.2987 -11.2915 -11.2863 -10.3173 -10.3063 -10.2623 -10.2567 -10.2326 -10.2256 -2.2949 -2.2937 6.8879 6.9600 8.5728 8.7215 9.9486 9.9650 12.9460 13.0074 15.4421 15.4873 16.4922 16.5306 16.8782 16.8799 k = 0.1385 0.0799 0.2261 ( 1291 PWs) bands (ev): -11.3058 -11.2989 -11.2921 -11.2877 -10.3178 -10.3079 -10.2616 -10.2564 -10.2340 -10.2268 -2.3572 -2.3562 7.0323 7.1045 8.6840 8.8311 9.9801 9.9964 12.8684 12.9301 15.4323 15.4828 16.4675 16.5100 16.8849 16.8873 k = 0.1327 0.0766 0.2167 ( 1291 PWs) bands (ev): -11.3059 -11.2991 -11.2927 -11.2891 -10.3183 -10.3094 -10.2610 -10.2560 -10.2355 -10.2281 -2.4172 -2.4164 7.1780 7.2501 8.7938 8.9391 10.0099 10.0261 12.7903 12.8522 15.4252 15.4800 16.4403 16.4854 16.8877 16.8944 k = 0.1269 0.0733 0.2073 ( 1303 PWs) bands (ev): -11.3061 -11.2994 -11.2933 -11.2904 -10.3188 -10.3109 -10.2603 -10.2557 -10.2369 -10.2293 -2.4750 -2.4743 7.3249 7.3966 8.9021 9.0453 10.0381 10.0541 12.7117 12.7734 15.4208 15.4792 16.4118 16.4587 16.8866 16.8974 k = 0.1212 0.0699 0.1978 ( 1299 PWs) bands (ev): -11.3062 -11.2996 -11.2939 -11.2917 -10.3193 -10.3123 -10.2596 -10.2553 -10.2383 -10.2306 -2.5303 -2.5298 7.4727 7.5440 9.0084 9.1493 10.0647 10.0804 12.6325 12.6939 15.4194 15.4806 16.3829 16.4309 16.8804 16.8948 k = 0.1154 0.0666 0.1884 ( 1299 PWs) bands (ev): -11.3063 -11.2998 -11.2945 -11.2930 -10.3199 -10.3137 -10.2590 -10.2549 -10.2396 -10.2318 -2.5833 -2.5828 7.6215 7.6920 9.1124 9.2508 10.0896 10.1051 12.5528 12.6135 15.4209 15.4841 16.3542 16.4031 16.8687 16.8859 k = 0.1096 0.0633 0.1790 ( 1291 PWs) bands (ev): -11.3064 -11.3001 -11.2952 -11.2942 -10.3204 -10.3150 -10.2583 -10.2545 -10.2409 -10.2331 -2.6338 -2.6334 7.7709 7.8407 9.2139 9.3494 10.1129 10.1282 12.4724 12.5322 15.4251 15.4897 16.3264 16.3757 16.8511 16.8704 k = 0.1038 0.0600 0.1696 ( 1287 PWs) bands (ev): -11.3065 -11.3004 -11.2958 -11.2953 -10.3210 -10.3163 -10.2576 -10.2541 -10.2421 -10.2343 -2.6819 -2.6816 7.9210 7.9896 9.3125 9.4447 10.1347 10.1498 12.3913 12.4498 15.4320 15.4971 16.2999 16.3493 16.8279 16.8484 k = 0.0981 0.0566 0.1602 ( 1283 PWs) bands (ev): -11.3065 -11.3007 -11.2964 -11.2964 -10.3215 -10.3175 -10.2570 -10.2537 -10.2433 -10.2356 -2.7275 -2.7273 8.0715 8.1388 9.4078 9.5364 10.1550 10.1698 12.3092 12.3663 15.4413 15.5060 16.2752 16.3244 16.7996 16.8206 k = 0.0923 0.0533 0.1507 ( 1283 PWs) bands (ev): -11.3066 -11.3009 -11.2975 -11.2971 -10.3221 -10.3187 -10.2564 -10.2534 -10.2443 -10.2368 -2.7706 -2.7704 8.2222 8.2880 9.4996 9.6243 10.1738 10.1884 12.2262 12.2814 15.4524 15.5159 16.2531 16.3014 16.7669 16.7876 k = 0.0865 0.0500 0.1413 ( 1283 PWs) bands (ev): -11.3066 -11.3012 -11.2984 -11.2977 -10.3226 -10.3198 -10.2558 -10.2530 -10.2453 -10.2380 -2.8111 -2.8110 8.3729 8.4371 9.5876 9.7078 10.1911 10.2055 12.1421 12.1951 15.4650 15.5262 16.2339 16.2809 16.7305 16.7503 k = 0.0808 0.0466 0.1319 ( 1283 PWs) bands (ev): -11.3066 -11.3015 -11.2994 -11.2983 -10.3232 -10.3208 -10.2552 -10.2526 -10.2463 -10.2392 -2.8492 -2.8491 8.5236 8.5858 9.6714 9.7869 10.2072 10.2213 12.0566 12.1071 15.4784 15.5362 16.2185 16.2632 16.6916 16.7100 k = 0.0750 0.0433 0.1225 ( 1283 PWs) bands (ev): -11.3066 -11.3018 -11.3002 -11.2990 -10.3237 -10.3218 -10.2546 -10.2523 -10.2471 -10.2404 -2.8847 -2.8846 8.6739 8.7339 9.7507 9.8611 10.2218 10.2357 11.9697 12.0174 15.4918 15.5451 16.2073 16.2489 16.6512 16.6676 k = 0.0692 0.0400 0.1131 ( 1281 PWs) bands (ev): -11.3065 -11.3021 -11.3010 -11.2996 -10.3242 -10.3227 -10.2541 -10.2520 -10.2479 -10.2415 -2.9176 -2.9175 8.8236 8.8812 9.8254 9.9303 10.2352 10.2490 11.8812 11.9257 15.5044 15.5522 16.2008 16.2384 16.6101 16.6245 k = 0.0635 0.0366 0.1036 ( 1281 PWs) bands (ev): -11.3065 -11.3024 -11.3017 -11.3002 -10.3247 -10.3235 -10.2536 -10.2516 -10.2485 -10.2425 -2.9479 -2.9478 8.9725 9.0275 9.8952 9.9942 10.2474 10.2610 11.7909 11.8320 15.5154 15.5567 16.1994 16.2322 16.5695 16.5815 k = 0.0577 0.0333 0.0942 ( 1281 PWs) bands (ev): -11.3064 -11.3027 -11.3023 -11.3008 -10.3252 -10.3243 -10.2531 -10.2514 -10.2491 -10.2435 -2.9756 -2.9756 9.1203 9.1723 9.9598 10.0526 10.2584 10.2718 11.6988 11.7361 15.5241 15.5585 16.2030 16.2305 16.5302 16.5398 k = 0.0519 0.0300 0.0848 ( 1281 PWs) bands (ev): -11.3064 -11.3030 -11.3029 -11.3013 -10.3256 -10.3250 -10.2526 -10.2511 -10.2496 -10.2445 -3.0007 -3.0007 9.2666 9.3156 10.0191 10.1053 10.2683 10.2817 11.6047 11.6381 15.5301 15.5574 16.2113 16.2331 16.4929 16.5003 k = 0.0462 0.0266 0.0754 ( 1277 PWs) bands (ev): -11.3063 -11.3034 -11.3033 -11.3018 -10.3261 -10.3256 -10.2522 -10.2509 -10.2500 -10.2454 -3.0232 -3.0232 9.4111 9.4567 10.0729 10.1521 10.2771 10.2905 11.5087 11.5378 15.5332 15.5536 16.2234 16.2399 16.4583 16.4637 k = 0.0404 0.0233 0.0659 ( 1269 PWs) bands (ev): -11.3062 -11.3038 -11.3035 -11.3023 -10.3264 -10.3261 -10.2519 -10.2507 -10.2504 -10.2463 -3.0430 -3.0430 9.5533 9.5952 10.1209 10.1930 10.2850 10.2984 11.4109 11.4356 15.5335 15.5479 16.2384 16.2500 16.4269 16.4306 k = 0.0346 0.0200 0.0565 ( 1265 PWs) bands (ev): -11.3060 -11.3042 -11.3038 -11.3028 -10.3268 -10.3266 -10.2515 -10.2506 -10.2505 -10.2471 -3.0602 -3.0602 9.6925 9.7305 10.1632 10.2276 10.2922 10.3055 11.3115 11.3316 15.5315 15.5409 16.2549 16.2625 16.3992 16.4014 k = 0.0288 0.0167 0.0471 ( 1255 PWs) bands (ev): -11.3059 -11.3045 -11.3040 -11.3032 -10.3271 -10.3270 -10.2512 -10.2508 -10.2504 -10.2478 -3.0748 -3.0748 9.8276 9.8615 10.1995 10.2556 10.2992 10.3119 11.2112 11.2267 15.5278 15.5335 16.2717 16.2762 16.3753 16.3765 k = 0.0231 0.0133 0.0377 ( 1251 PWs) bands (ev): -11.3057 -11.3047 -11.3043 -11.3036 -10.3273 -10.3273 -10.2509 -10.2508 -10.2503 -10.2484 -3.0867 -3.0867 9.9571 9.9865 10.2299 10.2763 10.3068 10.3178 11.1111 11.1220 15.5233 15.5263 16.2874 16.2897 16.3555 16.3560 k = 0.0173 0.0100 0.0283 ( 1251 PWs) bands (ev): -11.3055 -11.3048 -11.3045 -11.3040 -10.3276 -10.3275 -10.2508 -10.2507 -10.2502 -10.2490 -3.0960 -3.0960 10.0777 10.1019 10.2550 10.2895 10.3156 10.3230 11.0138 11.0203 15.5188 15.5200 16.3009 16.3018 16.3400 16.3401 k = 0.0115 0.0067 0.0188 ( 1243 PWs) bands (ev): -11.3053 -11.3049 -11.3047 -11.3043 -10.3277 -10.3277 -10.2507 -10.2505 -10.2502 -10.2495 -3.1027 -3.1027 10.1818 10.1988 10.2781 10.2991 10.3239 10.3276 10.9245 10.9273 15.5149 15.5152 16.3112 16.3114 16.3288 16.3288 k = 0.0058 0.0033 0.0094 ( 1243 PWs) bands (ev): -11.3051 -11.3049 -11.3048 -11.3046 -10.3278 -10.3278 -10.2506 -10.2504 -10.2502 -10.2499 -3.1066 -3.1066 10.2494 10.2535 10.3106 10.3151 10.3296 10.3308 10.8550 10.8555 15.5122 15.5123 16.3176 16.3176 16.3220 16.3221 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -11.3049 -11.3049 -11.3049 -11.3049 -10.3278 -10.3278 -10.2503 -10.2503 -10.2503 -10.2503 -3.1080 -3.1080 10.2658 10.2658 10.3318 10.3318 10.3318 10.3318 10.8269 10.8269 15.5113 15.5113 16.3198 16.3198 16.3198 16.3198 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -11.3049 -11.3049 -11.3049 -11.3049 -10.3278 -10.3278 -10.2503 -10.2503 -10.2503 -10.2503 -3.1080 -3.1080 10.2658 10.2658 10.3318 10.3318 10.3318 10.3318 10.8269 10.8269 15.5113 15.5113 16.3198 16.3198 16.3198 16.3198 k = 0.0093 0.0053 0.0038 ( 1243 PWs) bands (ev): -11.3051 -11.3049 -11.3049 -11.3046 -10.3278 -10.3278 -10.2506 -10.2503 -10.2503 -10.2499 -3.1067 -3.1067 10.2517 10.2517 10.3134 10.3134 10.3300 10.3311 10.8543 10.8543 15.5122 15.5122 16.3182 16.3182 16.3215 16.3216 k = 0.0185 0.0107 0.0076 ( 1243 PWs) bands (ev): -11.3054 -11.3048 -11.3048 -11.3043 -10.3277 -10.3277 -10.2507 -10.2504 -10.2504 -10.2495 -3.1028 -3.1028 10.1899 10.1899 10.2919 10.2919 10.3259 10.3279 10.9226 10.9226 15.5150 15.5150 16.3134 16.3134 16.3266 16.3268 k = 0.0278 0.0160 0.0113 ( 1249 PWs) bands (ev): -11.3056 -11.3047 -11.3047 -11.3040 -10.3276 -10.3276 -10.2508 -10.2505 -10.2505 -10.2490 -3.0964 -3.0964 10.0887 10.0887 10.2802 10.2802 10.3194 10.3224 11.0104 11.0104 15.5195 15.5195 16.3058 16.3058 16.3350 16.3354 k = 0.0370 0.0214 0.0151 ( 1255 PWs) bands (ev): -11.3057 -11.3045 -11.3045 -11.3037 -10.3273 -10.3273 -10.2508 -10.2507 -10.2507 -10.2484 -3.0875 -3.0875 9.9694 9.9694 10.2692 10.2692 10.3106 10.3146 11.1059 11.1059 15.5255 15.5255 16.2961 16.2961 16.3468 16.3473 k = 0.0463 0.0267 0.0189 ( 1255 PWs) bands (ev): -11.3059 -11.3042 -11.3042 -11.3033 -10.3271 -10.3271 -10.2509 -10.2509 -10.2507 -10.2477 -3.0759 -3.0759 9.8398 9.8398 10.2566 10.2566 10.2995 10.3044 11.2033 11.2033 15.5327 15.5327 16.2849 16.2849 16.3617 16.3623 k = 0.0556 0.0321 0.0227 ( 1267 PWs) bands (ev): -11.3060 -11.3040 -11.3040 -11.3030 -10.3267 -10.3267 -10.2511 -10.2511 -10.2506 -10.2469 -3.0619 -3.0619 9.7032 9.7032 10.2419 10.2419 10.2862 10.2921 11.3000 11.3000 15.5409 15.5409 16.2733 16.2733 16.3795 16.3804 k = 0.0648 0.0374 0.0265 ( 1273 PWs) bands (ev): -11.3061 -11.3036 -11.3036 -11.3026 -10.3263 -10.3263 -10.2515 -10.2515 -10.2503 -10.2460 -3.0452 -3.0452 9.5613 9.5613 10.2251 10.2251 10.2708 10.2776 11.3944 11.3944 15.5498 15.5498 16.2621 16.2621 16.4002 16.4012 k = 0.0741 0.0428 0.0302 ( 1273 PWs) bands (ev): -11.3062 -11.3033 -11.3033 -11.3022 -10.3259 -10.3259 -10.2518 -10.2518 -10.2499 -10.2451 -3.0261 -3.0261 9.4151 9.4151 10.2061 10.2061 10.2534 10.2611 11.4858 11.4858 15.5588 15.5588 16.2525 16.2525 16.4234 16.4246 k = 0.0833 0.0481 0.0340 ( 1273 PWs) bands (ev): -11.3062 -11.3029 -11.3029 -11.3018 -10.3254 -10.3254 -10.2522 -10.2522 -10.2495 -10.2441 -3.0043 -3.0043 9.2651 9.2651 10.1851 10.1851 10.2341 10.2426 11.5736 11.5736 15.5679 15.5679 16.2452 16.2452 16.4489 16.4504 k = 0.0926 0.0535 0.0378 ( 1279 PWs) bands (ev): -11.3063 -11.3024 -11.3024 -11.3014 -10.3248 -10.3248 -10.2527 -10.2527 -10.2490 -10.2431 -2.9801 -2.9801 9.1117 9.1117 10.1622 10.1622 10.2130 10.2223 11.6574 11.6574 15.5767 15.5767 16.2412 16.2412 16.4764 16.4781 k = 0.1019 0.0588 0.0416 ( 1279 PWs) bands (ev): -11.3063 -11.3019 -11.3019 -11.3010 -10.3242 -10.3242 -10.2531 -10.2531 -10.2484 -10.2420 -2.9533 -2.9533 8.9554 8.9554 10.1375 10.1375 10.1903 10.2004 11.7368 11.7368 15.5852 15.5852 16.2409 16.2409 16.5056 16.5076 k = 0.1111 0.0642 0.0454 ( 1279 PWs) bands (ev): -11.3062 -11.3014 -11.3014 -11.3006 -10.3235 -10.3235 -10.2537 -10.2537 -10.2477 -10.2408 -2.9240 -2.9240 8.7963 8.7963 10.1112 10.1112 10.1661 10.1769 11.8116 11.8116 15.5936 15.5936 16.2448 16.2448 16.5362 16.5384 k = 0.1204 0.0695 0.0491 ( 1279 PWs) bands (ev): -11.3062 -11.3008 -11.3008 -11.3001 -10.3228 -10.3228 -10.2542 -10.2542 -10.2469 -10.2395 -2.8923 -2.8923 8.6348 8.6348 10.0834 10.0834 10.1406 10.1520 11.8816 11.8816 15.6020 15.6020 16.2528 16.2528 16.5678 16.5703 k = 0.1296 0.0748 0.0529 ( 1279 PWs) bands (ev): -11.3061 -11.3003 -11.3003 -11.2997 -10.3220 -10.3220 -10.2548 -10.2548 -10.2460 -10.2382 -2.8580 -2.8580 8.4711 8.4711 10.0542 10.0542 10.1138 10.1257 11.9466 11.9466 15.6111 15.6111 16.2647 16.2647 16.6000 16.6028 k = 0.1389 0.0802 0.0567 ( 1279 PWs) bands (ev): -11.3060 -11.2996 -11.2996 -11.2993 -10.3212 -10.3212 -10.2554 -10.2554 -10.2451 -10.2369 -2.8212 -2.8212 8.3053 8.3053 10.0239 10.0239 10.0859 10.0984 12.0066 12.0066 15.6213 15.6213 16.2802 16.2802 16.6325 16.6356 k = 0.1481 0.0855 0.0605 ( 1279 PWs) bands (ev): -11.3059 -11.2990 -11.2990 -11.2988 -10.3204 -10.3204 -10.2561 -10.2561 -10.2441 -10.2355 -2.7821 -2.7821 8.1378 8.1378 9.9926 9.9926 10.0571 10.0701 12.0615 12.0615 15.6332 15.6332 16.2988 16.2988 16.6649 16.6683 k = 0.1574 0.0909 0.0643 ( 1291 PWs) bands (ev): -11.3058 -11.2984 -11.2983 -11.2983 -10.3195 -10.3195 -10.2568 -10.2568 -10.2430 -10.2341 -2.7404 -2.7404 7.9688 7.9688 9.9604 9.9604 10.0274 10.0408 12.1111 12.1111 15.6473 15.6473 16.3197 16.3197 16.6968 16.7005 k = 0.1667 0.0962 0.0680 ( 1291 PWs) bands (ev): -11.3056 -11.2980 -11.2976 -11.2976 -10.3186 -10.3186 -10.2575 -10.2575 -10.2419 -10.2326 -2.6964 -2.6964 7.7984 7.7984 9.9275 9.9275 9.9971 10.0109 12.1557 12.1557 15.6641 15.6641 16.3425 16.3425 16.7279 16.7318 k = 0.1759 0.1016 0.0718 ( 1290 PWs) bands (ev): -11.3055 -11.2976 -11.2969 -11.2969 -10.3176 -10.3176 -10.2583 -10.2583 -10.2406 -10.2311 -2.6500 -2.6500 7.6268 7.6268 9.8941 9.8941 9.9662 9.9803 12.1952 12.1952 15.6841 15.6841 16.3663 16.3663 16.7578 16.7619 k = 0.1852 0.1069 0.0756 ( 1296 PWs) bands (ev): -11.3053 -11.2972 -11.2962 -11.2962 -10.3166 -10.3166 -10.2590 -10.2590 -10.2394 -10.2296 -2.6012 -2.6012 7.4544 7.4544 9.8602 9.8602 9.9349 9.9493 12.2298 12.2298 15.7074 15.7074 16.3907 16.3907 16.7861 16.7904 k = 0.1944 0.1123 0.0794 ( 1296 PWs) bands (ev): -11.3050 -11.2968 -11.2955 -11.2955 -10.3156 -10.3156 -10.2598 -10.2598 -10.2380 -10.2280 -2.5501 -2.5501 7.2813 7.2813 9.8260 9.8260 9.9033 9.9180 12.2597 12.2597 15.7341 15.7341 16.4152 16.4152 16.8125 16.8170 k = 0.2037 0.1176 0.0832 ( 1296 PWs) bands (ev): -11.3048 -11.2964 -11.2947 -11.2947 -10.3146 -10.3146 -10.2606 -10.2606 -10.2366 -10.2264 -2.4968 -2.4968 7.1077 7.1077 9.7917 9.7917 9.8716 9.8864 12.2850 12.2850 15.7644 15.7644 16.4391 16.4391 16.8369 16.8415 k = 0.2130 0.1230 0.0869 ( 1293 PWs) bands (ev): -11.3046 -11.2960 -11.2940 -11.2940 -10.3136 -10.3136 -10.2614 -10.2614 -10.2352 -10.2248 -2.4411 -2.4411 6.9338 6.9338 9.7574 9.7574 9.8398 9.8548 12.3061 12.3061 15.7980 15.7980 16.4621 16.4621 16.8588 16.8635 k = 0.2222 0.1283 0.0907 ( 1290 PWs) bands (ev): -11.3043 -11.2957 -11.2932 -11.2932 -10.3125 -10.3125 -10.2622 -10.2622 -10.2337 -10.2232 -2.3833 -2.3833 6.7599 6.7599 9.7231 9.7231 9.8081 9.8231 12.3232 12.3232 15.8347 15.8347 16.4839 16.4839 16.8783 16.8829 k = 0.2315 0.1336 0.0945 ( 1290 PWs) bands (ev): -11.3040 -11.2953 -11.2925 -11.2925 -10.3114 -10.3114 -10.2631 -10.2631 -10.2322 -10.2216 -2.3233 -2.3233 6.5861 6.5861 9.6891 9.6891 9.7765 9.7916 12.3367 12.3367 15.8744 15.8744 16.5042 16.5042 16.8950 16.8996 k = 0.2407 0.1390 0.0983 ( 1287 PWs) bands (ev): -11.3038 -11.2950 -11.2917 -11.2917 -10.3104 -10.3104 -10.2639 -10.2639 -10.2307 -10.2200 -2.2613 -2.2613 6.4128 6.4128 9.6553 9.6553 9.7452 9.7602 12.3468 12.3468 15.9166 15.9166 16.5228 16.5228 16.9090 16.9135 k = 0.2500 0.1443 0.1021 ( 1293 PWs) bands (ev): -11.3035 -11.2947 -11.2910 -11.2910 -10.3093 -10.3093 -10.2647 -10.2647 -10.2291 -10.2184 -2.1972 -2.1972 6.2400 6.2400 9.6219 9.6219 9.7143 9.7292 12.3539 12.3539 15.9608 15.9608 16.5394 16.5394 16.9202 16.9245 k = 0.2593 0.1497 0.1058 ( 1293 PWs) bands (ev): -11.3032 -11.2944 -11.2903 -11.2903 -10.3082 -10.3082 -10.2656 -10.2656 -10.2275 -10.2169 -2.1312 -2.1312 6.0680 6.0680 9.5891 9.5891 9.6838 9.6986 12.3584 12.3584 16.0068 16.0068 16.5542 16.5542 16.9286 16.9328 k = 0.2685 0.1550 0.1096 ( 1293 PWs) bands (ev): -11.3029 -11.2942 -11.2896 -11.2896 -10.3071 -10.3071 -10.2664 -10.2664 -10.2258 -10.2153 -2.0633 -2.0633 5.8971 5.8971 9.5568 9.5568 9.6539 9.6685 12.3605 12.3605 16.0539 16.0539 16.5671 16.5671 16.9343 16.9382 k = 0.2778 0.1604 0.1134 ( 1287 PWs) bands (ev): -11.3025 -11.2939 -11.2888 -11.2888 -10.3061 -10.3061 -10.2672 -10.2672 -10.2242 -10.2138 -1.9936 -1.9936 5.7275 5.7275 9.5252 9.5252 9.6246 9.6390 12.3605 12.3605 16.1017 16.1017 16.5782 16.5782 16.9374 16.9411 k = 0.2870 0.1657 0.1172 ( 1287 PWs) bands (ev): -11.3022 -11.2937 -11.2882 -11.2882 -10.3050 -10.3050 -10.2680 -10.2680 -10.2226 -10.2122 -1.9223 -1.9223 5.5594 5.5594 9.4944 9.4944 9.5960 9.6101 12.3589 12.3589 16.1496 16.1496 16.5875 16.5875 16.9381 16.9415 k = 0.2963 0.1711 0.1210 ( 1287 PWs) bands (ev): -11.3019 -11.2935 -11.2875 -11.2875 -10.3040 -10.3040 -10.2688 -10.2688 -10.2209 -10.2108 -1.8495 -1.8495 5.3930 5.3930 9.4644 9.4644 9.5681 9.5820 12.3557 12.3557 16.1970 16.1970 16.5955 16.5955 16.9365 16.9396 k = 0.3056 0.1764 0.1247 ( 1281 PWs) bands (ev): -11.3015 -11.2933 -11.2868 -11.2868 -10.3030 -10.3030 -10.2696 -10.2696 -10.2193 -10.2093 -1.7752 -1.7752 5.2287 5.2287 9.4353 9.4353 9.5411 9.5546 12.3513 12.3513 16.2432 16.2432 16.6024 16.6024 16.9329 16.9357 k = 0.3148 0.1818 0.1285 ( 1275 PWs) bands (ev): -11.3012 -11.2932 -11.2862 -11.2862 -10.3020 -10.3020 -10.2703 -10.2703 -10.2176 -10.2079 -1.6997 -1.6997 5.0666 5.0666 9.4072 9.4072 9.5150 9.5281 12.3460 12.3460 16.2875 16.2875 16.6088 16.6088 16.9275 16.9300 k = 0.3241 0.1871 0.1323 ( 1272 PWs) bands (ev): -11.3008 -11.2931 -11.2856 -11.2856 -10.3010 -10.3010 -10.2710 -10.2710 -10.2160 -10.2066 -1.6232 -1.6232 4.9071 4.9071 9.3800 9.3800 9.4898 9.5026 12.3399 12.3399 16.3291 16.3291 16.6152 16.6152 16.9205 16.9227 k = 0.3333 0.1925 0.1361 ( 1272 PWs) bands (ev): -11.3005 -11.2930 -11.2850 -11.2850 -10.3001 -10.3001 -10.2717 -10.2717 -10.2144 -10.2053 -1.5458 -1.5458 4.7505 4.7505 9.3540 9.3540 9.4657 9.4779 12.3332 12.3332 16.3670 16.3670 16.6226 16.6226 16.9121 16.9140 k = 0.3426 0.1978 0.1399 ( 1272 PWs) bands (ev): -11.3001 -11.2929 -11.2844 -11.2844 -10.2993 -10.2993 -10.2723 -10.2723 -10.2129 -10.2040 -1.4678 -1.4678 4.5970 4.5970 9.3291 9.3291 9.4426 9.4544 12.3261 12.3261 16.4000 16.4000 16.6318 16.6318 16.9027 16.9043 k = 0.3519 0.2031 0.1436 ( 1275 PWs) bands (ev): -11.2998 -11.2928 -11.2839 -11.2839 -10.2984 -10.2984 -10.2729 -10.2729 -10.2113 -10.2029 -1.3895 -1.3895 4.4471 4.4471 9.3054 9.3054 9.4206 9.4319 12.3188 12.3188 16.4271 16.4271 16.6439 16.6439 16.8925 16.8938 k = 0.3611 0.2085 0.1474 ( 1275 PWs) bands (ev): -11.2994 -11.2928 -11.2834 -11.2834 -10.2977 -10.2977 -10.2735 -10.2735 -10.2098 -10.2018 -1.3112 -1.3112 4.3012 4.3012 9.2829 9.2829 9.3998 9.4105 12.3113 12.3113 16.4477 16.4477 16.6595 16.6595 16.8816 16.8827 k = 0.3704 0.2138 0.1512 ( 1275 PWs) bands (ev): -11.2991 -11.2928 -11.2829 -11.2829 -10.2970 -10.2970 -10.2740 -10.2740 -10.2084 -10.2007 -1.2332 -1.2332 4.1596 4.1596 9.2616 9.2616 9.3802 9.3903 12.3039 12.3039 16.4619 16.4619 16.6785 16.6785 16.8704 16.8712 k = 0.3796 0.2192 0.1550 ( 1275 PWs) bands (ev): -11.2987 -11.2928 -11.2825 -11.2825 -10.2963 -10.2963 -10.2744 -10.2744 -10.2070 -10.1998 -1.1559 -1.1559 4.0229 4.0229 9.2417 9.2417 9.3618 9.3713 12.2965 12.2965 16.4705 16.4705 16.7000 16.7000 16.8590 16.8596 k = 0.3889 0.2245 0.1588 ( 1281 PWs) bands (ev): -11.2984 -11.2928 -11.2820 -11.2820 -10.2957 -10.2957 -10.2749 -10.2749 -10.2057 -10.1989 -1.0799 -1.0799 3.8915 3.8915 9.2231 9.2231 9.3446 9.3535 12.2894 12.2894 16.4749 16.4749 16.7229 16.7229 16.8476 16.8481 k = 0.3981 0.2299 0.1625 ( 1281 PWs) bands (ev): -11.2980 -11.2929 -11.2817 -11.2817 -10.2951 -10.2951 -10.2752 -10.2752 -10.2044 -10.1981 -1.0056 -1.0056 3.7661 3.7661 9.2059 9.2059 9.3288 9.3370 12.2826 12.2826 16.4763 16.4763 16.7459 16.7459 16.8365 16.8368 k = 0.4074 0.2352 0.1663 ( 1269 PWs) bands (ev): -11.2977 -11.2929 -11.2813 -11.2813 -10.2947 -10.2947 -10.2756 -10.2756 -10.2032 -10.1974 -0.9336 -0.9336 3.6473 3.6473 9.1901 9.1901 9.3143 9.3218 12.2762 12.2762 16.4756 16.4756 16.7683 16.7683 16.8257 16.8259 k = 0.4167 0.2406 0.1701 ( 1269 PWs) bands (ev): -11.2973 -11.2930 -11.2810 -11.2810 -10.2942 -10.2942 -10.2758 -10.2758 -10.2020 -10.1968 -0.8646 -0.8646 3.5359 3.5359 9.1757 9.1757 9.3011 9.3080 12.2702 12.2702 16.4736 16.4736 16.7893 16.7893 16.8155 16.8157 k = 0.4259 0.2459 0.1739 ( 1275 PWs) bands (ev): -11.2970 -11.2931 -11.2807 -11.2807 -10.2939 -10.2939 -10.2761 -10.2761 -10.2010 -10.1962 -0.7995 -0.7995 3.4326 3.4326 9.1628 9.1628 9.2893 9.2954 12.2648 12.2648 16.4708 16.4708 16.8061 16.8061 16.8086 16.8086 k = 0.4352 0.2513 0.1777 ( 1272 PWs) bands (ev): -11.2967 -11.2933 -11.2804 -11.2804 -10.2936 -10.2936 -10.2763 -10.2763 -10.2000 -10.1958 -0.7389 -0.7389 3.3383 3.3383 9.1513 9.1513 9.2789 9.2843 12.2598 12.2598 16.4677 16.4677 16.7974 16.7974 16.8259 16.8259 k = 0.4444 0.2566 0.1814 ( 1272 PWs) bands (ev): -11.2964 -11.2934 -11.2802 -11.2802 -10.2933 -10.2933 -10.2764 -10.2764 -10.1991 -10.1955 -0.6838 -0.6838 3.2539 3.2539 9.1413 9.1413 9.2699 9.2746 12.2555 12.2555 16.4645 16.4645 16.7896 16.7897 16.8411 16.8411 k = 0.4537 0.2619 0.1852 ( 1275 PWs) bands (ev): -11.2961 -11.2936 -11.2800 -11.2800 -10.2931 -10.2931 -10.2765 -10.2765 -10.1982 -10.1952 -0.6350 -0.6350 3.1803 3.1803 9.1329 9.1329 9.2623 9.2662 12.2517 12.2517 16.4615 16.4615 16.7829 16.7830 16.8539 16.8539 k = 0.4630 0.2673 0.1890 ( 1278 PWs) bands (ev): -11.2958 -11.2938 -11.2799 -11.2799 -10.2929 -10.2929 -10.2766 -10.2766 -10.1975 -10.1951 -0.5936 -0.5936 3.1185 3.1185 9.1259 9.1259 9.2562 9.2593 12.2486 12.2486 16.4589 16.4589 16.7773 16.7774 16.8645 16.8645 k = 0.4722 0.2726 0.1928 ( 1272 PWs) bands (ev): -11.2955 -11.2940 -11.2797 -11.2797 -10.2928 -10.2928 -10.2767 -10.2767 -10.1969 -10.1950 -0.5603 -0.5603 3.0693 3.0693 9.1205 9.1205 9.2515 9.2538 12.2462 12.2462 16.4567 16.4567 16.7729 16.7730 16.8727 16.8727 k = 0.4815 0.2780 0.1966 ( 1272 PWs) bands (ev): -11.2952 -11.2942 -11.2797 -11.2797 -10.2927 -10.2927 -10.2767 -10.2767 -10.1963 -10.1951 -0.5359 -0.5359 3.0336 3.0336 9.1167 9.1167 9.2482 9.2498 12.2444 12.2444 16.4551 16.4551 16.7697 16.7698 16.8786 16.8786 k = 0.4907 0.2833 0.2003 ( 1260 PWs) bands (ev): -11.2949 -11.2944 -11.2796 -11.2796 -10.2927 -10.2927 -10.2768 -10.2768 -10.1959 -10.1953 -0.5210 -0.5210 3.0119 3.0119 9.1143 9.1143 9.2464 9.2472 12.2434 12.2434 16.4541 16.4541 16.7678 16.7678 16.8821 16.8821 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -11.2947 -11.2947 -11.2796 -11.2796 -10.2926 -10.2926 -10.2768 -10.2768 -10.1955 -10.1955 -0.5160 -0.5160 3.0046 3.0046 9.1136 9.1136 9.2461 9.2461 12.2430 12.2430 16.4538 16.4538 16.7672 16.7672 16.8833 16.8833 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -11.2947 -11.2947 -11.2796 -11.2796 -10.2926 -10.2926 -10.2768 -10.2768 -10.1955 -10.1955 -0.5160 -0.5160 3.0046 3.0046 9.1136 9.1136 9.2461 9.2461 12.2430 12.2430 16.4538 16.4538 16.7672 16.7672 16.8833 16.8833 k = 0.5033 0.2792 0.2095 ( 1260 PWs) bands (ev): -11.2947 -11.2947 -11.2804 -11.2787 -10.2932 -10.2922 -10.2773 -10.2761 -10.1955 -10.1955 -0.5155 -0.5142 3.0051 3.0059 9.1017 9.1138 9.2404 9.2408 12.2470 12.2564 16.4199 16.4684 16.7305 16.7439 16.9031 16.9425 k = 0.5066 0.2697 0.2149 ( 1264 PWs) bands (ev): -11.2948 -11.2947 -11.2811 -11.2777 -10.2938 -10.2918 -10.2776 -10.2753 -10.1956 -10.1956 -0.5130 -0.5103 3.0075 3.0091 9.0765 9.1021 9.2241 9.2267 12.2681 12.2866 16.3667 16.4579 16.6753 16.7176 16.9664 17.0238 k = 0.5099 0.2602 0.2202 ( 1268 PWs) bands (ev): -11.2949 -11.2948 -11.2817 -11.2766 -10.2946 -10.2914 -10.2777 -10.2744 -10.1958 -10.1957 -0.5082 -0.5043 3.0118 3.0141 9.0353 9.0758 9.2008 9.2076 12.3054 12.3322 16.2959 16.4100 16.6488 16.7073 17.0382 17.1064 k = 0.5132 0.2507 0.2256 ( 1278 PWs) bands (ev): -11.2951 -11.2949 -11.2821 -11.2755 -10.2954 -10.2911 -10.2777 -10.2734 -10.1959 -10.1959 -0.5013 -0.4961 3.0179 3.0209 8.9771 9.0314 9.1754 9.1863 12.3576 12.3917 16.2126 16.3309 16.6531 16.7125 17.1106 17.1860 k = 0.5164 0.2412 0.2310 ( 1278 PWs) bands (ev): -11.2955 -11.2950 -11.2824 -11.2743 -10.2963 -10.2907 -10.2775 -10.2723 -10.1962 -10.1961 -0.4923 -0.4857 3.0257 3.0295 8.9027 8.9682 9.1507 9.1639 12.4225 12.4630 16.1219 16.2371 16.6748 16.7302 17.1805 17.2608 k = 0.5197 0.2317 0.2364 ( 1272 PWs) bands (ev): -11.2958 -11.2951 -11.2826 -11.2731 -10.2973 -10.2904 -10.2771 -10.2711 -10.1965 -10.1963 -0.4811 -0.4732 3.0354 3.0398 8.8144 8.8886 9.1261 9.1402 12.4983 12.5439 16.0275 16.1377 16.7068 16.7577 17.2465 17.3299 k = 0.5230 0.2222 0.2417 ( 1276 PWs) bands (ev): -11.2963 -11.2951 -11.2826 -11.2719 -10.2984 -10.2901 -10.2765 -10.2698 -10.1969 -10.1966 -0.4678 -0.4585 3.0468 3.0519 8.7146 8.7958 9.1005 9.1148 12.5826 12.6323 15.9319 16.0369 16.7462 16.7935 17.3075 17.3930 k = 0.5263 0.2127 0.2471 ( 1277 PWs) bands (ev): -11.2969 -11.2952 -11.2825 -11.2707 -10.2996 -10.2897 -10.2759 -10.2685 -10.1973 -10.1969 -0.4524 -0.4418 3.0599 3.0656 8.6053 8.6926 9.0733 9.0874 12.6733 12.7261 15.8369 15.9368 16.7918 16.8365 17.3633 17.4498 k = 0.5296 0.2032 0.2525 ( 1275 PWs) bands (ev): -11.2974 -11.2953 -11.2823 -11.2694 -10.3008 -10.2893 -10.2751 -10.2671 -10.1977 -10.1972 -0.4349 -0.4230 3.0746 3.0808 8.4884 8.5809 9.0441 9.0580 12.7684 12.8233 15.7442 15.8391 16.8428 16.8860 17.4137 17.5002 k = 0.5329 0.1937 0.2578 ( 1277 PWs) bands (ev): -11.2981 -11.2953 -11.2820 -11.2681 -10.3020 -10.2889 -10.2742 -10.2657 -10.1983 -10.1976 -0.4154 -0.4021 3.0908 3.0976 8.3655 8.4627 9.0128 9.0265 12.8659 12.9220 15.6551 15.7451 16.8987 16.9415 17.4588 17.5446 k = 0.5362 0.1842 0.2632 ( 1281 PWs) bands (ev): -11.2987 -11.2954 -11.2816 -11.2668 -10.3032 -10.2885 -10.2732 -10.2643 -10.1988 -10.1979 -0.3939 -0.3792 3.1085 3.1157 8.2379 8.3394 8.9794 8.9929 12.9636 13.0200 15.5709 15.6560 16.9590 17.0023 17.4990 17.5832 k = 0.5395 0.1747 0.2686 ( 1279 PWs) bands (ev): -11.2994 -11.2954 -11.2812 -11.2656 -10.3045 -10.2881 -10.2721 -10.2628 -10.1995 -10.1983 -0.3705 -0.3543 3.1276 3.1352 8.1068 8.2122 8.9441 8.9574 13.0597 13.1155 15.4931 15.5731 17.0231 17.0680 17.5348 17.6165 k = 0.5428 0.1652 0.2740 ( 1279 PWs) bands (ev): -11.3001 -11.2954 -11.2807 -11.2643 -10.3057 -10.2876 -10.2710 -10.2613 -10.2001 -10.1986 -0.3450 -0.3274 3.1479 3.1558 7.9730 8.0822 8.9070 8.9202 13.1520 13.2064 15.4232 15.4978 17.0903 17.1382 17.5670 17.6450 k = 0.5461 0.1557 0.2793 ( 1275 PWs) bands (ev): -11.3008 -11.2954 -11.2801 -11.2631 -10.3070 -10.2871 -10.2698 -10.2597 -10.2009 -10.1989 -0.3177 -0.2987 3.1693 3.1774 7.8375 7.9502 8.8683 8.8815 13.2385 13.2904 15.3627 15.4317 17.1599 17.2125 17.5966 17.6695 k = 0.5493 0.1462 0.2847 ( 1271 PWs) bands (ev): -11.3015 -11.2954 -11.2795 -11.2618 -10.3082 -10.2867 -10.2686 -10.2581 -10.2016 -10.1993 -0.2886 -0.2680 3.1917 3.1999 7.7011 7.8172 8.8283 8.8413 13.3169 13.3653 15.3133 15.3761 17.2306 17.2903 17.6250 17.6906 k = 0.5526 0.1367 0.2901 ( 1271 PWs) bands (ev): -11.3022 -11.2954 -11.2789 -11.2606 -10.3095 -10.2862 -10.2673 -10.2565 -10.2024 -10.1996 -0.2577 -0.2356 3.2149 3.2231 7.5645 7.6840 8.7870 8.8000 13.3850 13.4290 15.2766 15.3326 17.3009 17.3711 17.6541 17.7094 k = 0.5559 0.1272 0.2954 ( 1275 PWs) bands (ev): -11.3028 -11.2954 -11.2782 -11.2595 -10.3107 -10.2857 -10.2660 -10.2548 -10.2032 -10.1999 -0.2251 -0.2015 3.2387 3.2468 7.4284 7.5512 8.7447 8.7577 13.4410 13.4796 15.2536 15.3025 17.3686 17.4542 17.6863 17.7267 k = 0.5592 0.1177 0.3008 ( 1278 PWs) bands (ev): -11.3035 -11.2953 -11.2776 -11.2583 -10.3119 -10.2853 -10.2647 -10.2531 -10.2041 -10.2001 -0.1908 -0.1657 3.2629 3.2707 7.2935 7.4195 8.7017 8.7146 13.4832 13.5158 15.2449 15.2864 17.4310 17.5386 17.7250 17.7443 k = 0.5625 0.1083 0.3062 ( 1276 PWs) bands (ev): -11.3042 -11.2953 -11.2769 -11.2572 -10.3131 -10.2848 -10.2633 -10.2513 -10.2050 -10.2003 -0.1550 -0.1284 3.2871 3.2946 7.1603 7.2897 8.6581 8.6710 13.5108 13.5372 15.2503 15.2844 17.4855 17.6220 17.7647 17.7731 k = 0.5658 0.0988 0.3116 ( 1278 PWs) bands (ev): -11.3048 -11.2952 -11.2762 -11.2562 -10.3142 -10.2844 -10.2620 -10.2496 -10.2059 -10.2005 -0.1178 -0.0896 3.3112 3.3182 7.0297 7.1624 8.6140 8.6270 13.5240 13.5442 15.2683 15.2955 17.5312 17.6975 17.7955 17.8323 k = 0.5691 0.0893 0.3169 ( 1276 PWs) bands (ev): -11.3054 -11.2952 -11.2755 -11.2552 -10.3153 -10.2840 -10.2607 -10.2478 -10.2068 -10.2006 -0.0793 -0.0495 3.3347 3.3411 6.9022 7.0383 8.5698 8.5827 13.5237 13.5382 15.2966 15.3178 17.5695 17.7505 17.8518 17.9015 k = 0.5724 0.0798 0.3223 ( 1280 PWs) bands (ev): -11.3060 -11.2951 -11.2748 -11.2543 -10.3164 -10.2837 -10.2594 -10.2459 -10.2078 -10.2007 -0.0396 -0.0082 3.3574 3.3630 6.7786 6.9182 8.5256 8.5385 13.5114 13.5209 15.3325 15.3485 17.6037 17.7840 17.9314 17.9782 k = 0.5757 0.0703 0.3277 ( 1276 PWs) bands (ev): -11.3066 -11.2951 -11.2741 -11.2534 -10.3174 -10.2834 -10.2582 -10.2441 -10.2087 -10.2007 0.0011 0.0341 3.3788 3.3836 6.6596 6.8027 8.4815 8.4944 13.4890 13.4945 15.3729 15.3847 17.6369 17.8133 18.0194 18.0600 k = 0.5789 0.0608 0.3330 ( 1276 PWs) bands (ev): -11.3072 -11.2950 -11.2734 -11.2525 -10.3184 -10.2831 -10.2570 -10.2422 -10.2097 -10.2006 0.0427 0.0773 3.3984 3.4023 6.5460 6.6926 8.4378 8.4507 13.4587 13.4610 15.4146 15.4232 17.6719 17.8448 18.1100 18.1447 k = 0.5822 0.0513 0.3384 ( 1276 PWs) bands (ev): -11.3077 -11.2950 -11.2728 -11.2518 -10.3193 -10.2829 -10.2559 -10.2403 -10.2106 -10.2005 0.0850 0.1212 3.4159 3.4187 6.4387 6.5887 8.3945 8.4074 13.4222 13.4222 15.4549 15.4610 17.7107 17.8810 18.2013 18.2308 k = 0.5855 0.0418 0.3438 ( 1270 PWs) bands (ev): -11.3083 -11.2950 -11.2721 -11.2511 -10.3202 -10.2827 -10.2548 -10.2384 -10.2116 -10.2003 0.1277 0.1655 3.4307 3.4324 6.3383 6.4919 8.3519 8.3647 13.3797 13.3812 15.4913 15.4956 17.7548 17.9231 18.2920 18.3172 k = 0.5888 0.0323 0.3492 ( 1270 PWs) bands (ev): -11.3088 -11.2949 -11.2714 -11.2504 -10.3211 -10.2826 -10.2538 -10.2365 -10.2125 -10.2000 0.1705 0.2100 3.4424 3.4431 6.2458 6.4028 8.3100 8.3229 13.3348 13.3371 15.5221 15.5247 17.8054 17.9721 18.3816 18.4029 k = 0.5921 0.0228 0.3545 ( 1274 PWs) bands (ev): -11.3093 -11.2949 -11.2708 -11.2498 -10.3218 -10.2825 -10.2528 -10.2345 -10.2134 -10.1997 0.2132 0.2542 3.4502 3.4505 6.1620 6.3222 8.2691 8.2819 13.2883 13.2910 15.5456 15.5469 17.8630 18.0280 18.4696 18.4872 k = 0.5954 0.0133 0.3599 ( 1274 PWs) bands (ev): -11.3098 -11.2949 -11.2702 -11.2493 -10.3226 -10.2825 -10.2520 -10.2326 -10.2143 -10.1993 0.2555 0.2980 3.4536 3.4547 6.0877 6.2509 8.2292 8.2420 13.2413 13.2438 15.5609 15.5610 17.9277 18.0909 18.5554 18.5694 k = 0.5987 0.0038 0.3653 ( 1270 PWs) bands (ev): -11.3102 -11.2949 -11.2696 -11.2489 -10.3232 -10.2826 -10.2512 -10.2308 -10.2152 -10.1988 0.2969 0.3409 3.4530 3.4549 6.0235 6.1895 8.1905 8.2033 13.1942 13.1963 15.5662 15.5678 17.9994 18.1603 18.6385 18.6488 k = 0.6020-0.0057 0.3706 ( 1272 PWs) bands (ev): -11.3107 -11.2949 -11.2690 -11.2485 -10.3239 -10.2827 -10.2504 -10.2289 -10.2160 -10.1983 0.3370 0.3824 3.4486 3.4509 5.9700 6.1383 8.1531 8.1659 13.1477 13.1489 15.5627 15.5659 18.0771 18.2352 18.7187 18.7248 k = 0.6053-0.0152 0.3760 ( 1274 PWs) bands (ev): -11.3111 -11.2949 -11.2684 -11.2482 -10.3244 -10.2829 -10.2498 -10.2271 -10.2168 -10.1977 0.3753 0.4220 3.4405 3.4430 5.9275 6.0978 8.1170 8.1298 13.1020 13.1022 15.5505 15.5554 18.1598 18.3144 18.7954 18.7966 k = 0.6086-0.0247 0.3814 ( 1276 PWs) bands (ev): -11.3115 -11.2949 -11.2679 -11.2480 -10.3249 -10.2831 -10.2492 -10.2254 -10.2175 -10.1971 0.4113 0.4591 3.4292 3.4316 5.8962 6.0681 8.0825 8.0952 13.0565 13.0576 15.5302 15.5369 18.2459 18.3961 18.8636 18.8684 k = 0.6118-0.0342 0.3868 ( 1278 PWs) bands (ev): -11.3119 -11.2950 -11.2674 -11.2478 -10.3254 -10.2834 -10.2487 -10.2239 -10.2181 -10.1965 0.4444 0.4932 3.4154 3.4175 5.8760 6.0490 8.0495 8.0623 13.0120 13.0146 15.5022 15.5108 18.3337 18.4784 18.9248 18.9373 k = 0.6151-0.0437 0.3921 ( 1276 PWs) bands (ev): -11.3122 -11.2951 -11.2669 -11.2477 -10.3258 -10.2838 -10.2482 -10.2227 -10.2183 -10.1959 0.4738 0.5234 3.3999 3.4016 5.8667 6.0404 8.0182 8.0310 12.9690 12.9733 15.4675 15.4780 18.4205 18.5586 18.9794 19.0019 k = 0.6184-0.0532 0.3975 ( 1278 PWs) bands (ev): -11.3126 -11.2951 -11.2665 -11.2477 -10.3261 -10.2842 -10.2478 -10.2222 -10.2178 -10.1952 0.4990 0.5491 3.3840 3.3852 5.8678 6.0418 7.9887 8.0014 12.9277 12.9337 15.4266 15.4390 18.5033 18.6334 19.0266 19.0620 k = 0.6217-0.0627 0.4029 ( 1282 PWs) bands (ev): -11.3129 -11.2952 -11.2661 -11.2477 -10.3264 -10.2847 -10.2475 -10.2224 -10.2168 -10.1946 0.5192 0.5695 3.3689 3.3696 5.8786 6.0527 7.9609 7.9737 12.8880 12.8960 15.3805 15.3947 18.5779 18.6990 19.0665 19.1175 k = 0.6250-0.0722 0.4082 ( 1288 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3266 -10.2852 -10.2472 -10.2229 -10.2155 -10.1940 0.5337 0.5838 3.3558 3.3562 5.8985 6.0724 7.9351 7.9480 12.8503 12.8603 15.3299 15.3458 18.6390 18.7510 19.1011 19.1685 k = 0.6250-0.0722 0.4082 ( 1288 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3266 -10.2852 -10.2472 -10.2229 -10.2155 -10.1940 0.5337 0.5838 3.3558 3.3562 5.8985 6.0724 7.9351 7.9480 12.8503 12.8603 15.3299 15.3458 18.6390 18.7510 19.1011 19.1685 k = 0.6193-0.0689 0.4175 ( 1276 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3267 -10.2850 -10.2472 -10.2228 -10.2155 -10.1940 0.5343 0.5845 3.3560 3.3564 5.8996 6.0735 7.9255 7.9445 12.8568 12.8711 15.3304 15.3463 18.6169 18.7365 19.0985 19.1699 k = 0.6136-0.0656 0.4268 ( 1274 PWs) bands (ev): -11.3133 -11.2950 -11.2657 -11.2478 -10.3269 -10.2846 -10.2472 -10.2228 -10.2157 -10.1941 0.5363 0.5866 3.3566 3.3570 5.9027 6.0769 7.9001 7.9309 12.8783 12.9010 15.3319 15.3478 18.5568 18.6946 19.0913 19.1690 k = 0.6080-0.0623 0.4361 ( 1274 PWs) bands (ev): -11.3135 -11.2947 -11.2657 -11.2479 -10.3274 -10.2840 -10.2472 -10.2227 -10.2159 -10.1943 0.5395 0.5901 3.3576 3.3580 5.9080 6.0824 7.8621 7.9054 12.9161 12.9475 15.3345 15.3502 18.4704 18.6292 19.0802 19.1601 k = 0.6023-0.0590 0.4454 ( 1274 PWs) bands (ev): -11.3138 -11.2942 -11.2657 -11.2480 -10.3279 -10.2831 -10.2472 -10.2225 -10.2162 -10.1945 0.5440 0.5949 3.3589 3.3593 5.9153 6.0903 7.8127 7.8682 12.9697 13.0093 15.3382 15.3537 18.3678 18.5459 19.0649 19.1429 k = 0.5966-0.0558 0.4546 ( 1274 PWs) bands (ev): -11.3140 -11.2937 -11.2656 -11.2480 -10.3286 -10.2819 -10.2473 -10.2223 -10.2166 -10.1948 0.5497 0.6010 3.3606 3.3609 5.9247 6.1003 7.7534 7.8203 13.0380 13.0849 15.3428 15.3581 18.2552 18.4499 19.0452 19.1194 k = 0.5909-0.0525 0.4639 ( 1274 PWs) bands (ev): -11.3144 -11.2931 -11.2656 -11.2481 -10.3293 -10.2807 -10.2473 -10.2221 -10.2170 -10.1951 0.5565 0.6083 3.3625 3.3628 5.9362 6.1125 7.6854 7.7629 13.1196 13.1726 15.3485 15.3635 18.1366 18.3453 19.0211 19.0913 k = 0.5852-0.0492 0.4732 ( 1268 PWs) bands (ev): -11.3147 -11.2924 -11.2655 -11.2482 -10.3301 -10.2792 -10.2474 -10.2218 -10.2175 -10.1956 0.5644 0.6168 3.3645 3.3649 5.9496 6.1269 7.6103 7.6974 13.2130 13.2709 15.3553 15.3699 18.0145 18.2353 18.9928 19.0595 k = 0.5795-0.0459 0.4825 ( 1268 PWs) bands (ev): -11.3150 -11.2916 -11.2655 -11.2483 -10.3310 -10.2777 -10.2475 -10.2215 -10.2181 -10.1960 0.5732 0.6264 3.3667 3.3671 5.9650 6.1434 7.5296 7.6252 13.3164 13.3779 15.3632 15.3773 17.8907 18.1221 18.9607 19.0243 k = 0.5739-0.0426 0.4918 ( 1269 PWs) bands (ev): -11.3154 -11.2909 -11.2654 -11.2484 -10.3318 -10.2760 -10.2476 -10.2211 -10.2188 -10.1965 0.5830 0.6368 3.3688 3.3693 5.9824 6.1621 7.4446 7.5478 13.4280 13.4916 15.3722 15.3857 17.7664 18.0076 18.9252 18.9864 k = 0.5682-0.0394 0.5010 ( 1271 PWs) bands (ev): -11.3157 -11.2902 -11.2653 -11.2486 -10.3327 -10.2743 -10.2477 -10.2208 -10.2194 -10.1971 0.5935 0.6481 3.3709 3.3714 6.0015 6.1829 7.3569 7.4665 13.5458 13.6102 15.3825 15.3953 17.6427 17.8931 18.8868 18.9460 k = 0.5625-0.0361 0.5103 ( 1274 PWs) bands (ev): -11.3160 -11.2894 -11.2652 -11.2487 -10.3335 -10.2725 -10.2479 -10.2207 -10.2198 -10.1977 0.6046 0.6601 3.3729 3.3735 6.0225 6.2058 7.2676 7.3828 13.6680 13.7316 15.3942 15.4061 17.5206 17.7800 18.8460 18.9036 k = 0.5568-0.0328 0.5196 ( 1272 PWs) bands (ev): -11.3163 -11.2887 -11.2651 -11.2488 -10.3343 -10.2707 -10.2481 -10.2212 -10.2196 -10.1983 0.6162 0.6726 3.3746 3.3752 6.0450 6.2307 7.1782 7.2979 13.7923 13.8535 15.4073 15.4182 17.4011 17.6695 18.8036 18.8598 k = 0.5511-0.0295 0.5289 ( 1269 PWs) bands (ev): -11.3165 -11.2881 -11.2650 -11.2489 -10.3350 -10.2689 -10.2483 -10.2219 -10.2192 -10.1990 0.6280 0.6853 3.3759 3.3767 6.0691 6.2575 7.0899 7.2130 13.9164 13.9737 15.4223 15.4318 17.2852 17.5628 18.7603 18.8152 k = 0.5455-0.0262 0.5381 ( 1269 PWs) bands (ev): -11.3167 -11.2875 -11.2649 -11.2490 -10.3357 -10.2672 -10.2485 -10.2227 -10.2187 -10.1996 0.6399 0.6981 3.3769 3.3777 6.0946 6.2863 7.0039 7.1293 14.0379 14.0897 15.4391 15.4472 17.1740 17.4612 18.7170 18.7705 k = 0.5398-0.0230 0.5474 ( 1269 PWs) bands (ev): -11.3169 -11.2870 -11.2648 -11.2491 -10.3363 -10.2655 -10.2488 -10.2234 -10.2182 -10.2003 0.6516 0.7107 3.3774 3.3783 6.1210 6.3169 6.9214 7.0477 14.1539 14.1988 15.4581 15.4645 17.0688 17.3661 18.6745 18.7266 k = 0.5341-0.0197 0.5567 ( 1265 PWs) bands (ev): -11.3171 -11.2865 -11.2647 -11.2492 -10.3368 -10.2638 -10.2492 -10.2241 -10.2177 -10.2009 0.6629 0.7229 3.3775 3.3784 6.1481 6.3492 6.8436 6.9693 14.2615 14.2982 15.4791 15.4839 16.9711 17.2789 18.6338 18.6842 k = 0.5284-0.0164 0.5660 ( 1265 PWs) bands (ev): -11.3172 -11.2861 -11.2646 -11.2493 -10.3373 -10.2622 -10.2496 -10.2247 -10.2173 -10.2015 0.6735 0.7342 3.3771 3.3781 6.1752 6.3830 6.7719 6.8951 14.3576 14.3854 15.5018 15.5052 16.8828 17.2016 18.5961 18.6445 k = 0.5227-0.0131 0.5753 ( 1265 PWs) bands (ev): -11.3174 -11.2858 -11.2645 -11.2493 -10.3376 -10.2608 -10.2500 -10.2253 -10.2168 -10.2020 0.6829 0.7444 3.3763 3.3774 6.2015 6.4181 6.7081 6.8259 14.4393 14.4582 15.5252 15.5277 16.8061 17.1358 18.5625 18.6087 k = 0.5170-0.0098 0.5845 ( 1261 PWs) bands (ev): -11.3174 -11.2855 -11.2644 -11.2493 -10.3379 -10.2595 -10.2505 -10.2258 -10.2165 -10.2025 0.6910 0.7531 3.3753 3.3764 6.2254 6.4537 6.6541 6.7631 14.5040 14.5150 15.5473 15.5500 16.7434 17.0835 18.5343 18.5781 k = 0.5114-0.0066 0.5938 ( 1256 PWs) bands (ev): -11.3175 -11.2853 -11.2643 -11.2494 -10.3381 -10.2585 -10.2510 -10.2261 -10.2162 -10.2029 0.6972 0.7598 3.3741 3.3753 6.2451 6.4884 6.6129 6.7082 14.5498 14.5555 15.5658 15.5695 16.6972 17.0459 18.5128 18.5541 k = 0.5057-0.0033 0.6031 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3382 -10.2578 -10.2513 -10.2263 -10.2160 -10.2031 0.7013 0.7642 3.3732 3.3744 6.2578 6.5173 6.5884 6.6655 14.5757 14.5803 15.5783 15.5831 16.6693 17.0239 18.4991 18.5384 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3383 -10.2575 -10.2514 -10.2264 -10.2159 -10.2032 0.7027 0.7658 3.3728 3.3740 6.2621 6.5289 6.5822 6.6471 14.5836 14.5888 15.5828 15.5881 16.6602 17.0168 18.4943 18.5328 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3383 -10.2575 -10.2514 -10.2264 -10.2159 -10.2032 0.7027 0.7658 3.3728 3.3740 6.2621 6.5289 6.5822 6.6471 14.5836 14.5888 15.5828 15.5881 16.6602 17.0168 18.4943 18.5328 k = 0.5000 0.0066 0.6031 ( 1256 PWs) bands (ev): -11.3175 -11.2852 -11.2643 -11.2494 -10.3382 -10.2576 -10.2515 -10.2264 -10.2159 -10.2032 0.7001 0.7630 3.3744 3.3756 6.2524 6.5072 6.5923 6.6776 14.5826 14.5886 15.5802 15.5847 16.6599 17.0150 18.5002 18.5408 k = 0.5000 0.0131 0.5938 ( 1256 PWs) bands (ev): -11.3174 -11.2853 -11.2645 -11.2493 -10.3381 -10.2576 -10.2516 -10.2266 -10.2158 -10.2032 0.6923 0.7548 3.3791 3.3803 6.2280 6.4638 6.6284 6.7367 14.5800 14.5879 15.5723 15.5745 16.6593 17.0098 18.5182 18.5639 k = 0.5000 0.0197 0.5845 ( 1256 PWs) bands (ev): -11.3173 -11.2853 -11.2647 -11.2493 -10.3379 -10.2578 -10.2518 -10.2269 -10.2157 -10.2032 0.6794 0.7413 3.3865 3.3878 6.1970 6.4190 6.6818 6.8048 14.5761 14.5863 15.5568 15.5596 16.6588 17.0022 18.5479 18.6004 k = 0.5000 0.0262 0.5753 ( 1264 PWs) bands (ev): -11.3172 -11.2854 -11.2650 -11.2492 -10.3376 -10.2579 -10.2521 -10.2273 -10.2156 -10.2032 0.6618 0.7228 3.3962 3.3978 6.1653 6.3782 6.7456 6.8780 14.5712 14.5839 15.5326 15.5408 16.6594 16.9934 18.5887 18.6483 k = 0.5000 0.0328 0.5660 ( 1258 PWs) bands (ev): -11.3170 -11.2856 -11.2654 -11.2492 -10.3372 -10.2581 -10.2524 -10.2279 -10.2154 -10.2033 0.6396 0.6996 3.4076 3.4097 6.1366 6.3432 6.8161 6.9546 14.5656 14.5808 15.5014 15.5164 16.6619 16.9848 18.6391 18.7052 k = 0.5000 0.0394 0.5567 ( 1258 PWs) bands (ev): -11.3168 -11.2857 -11.2658 -11.2492 -10.3367 -10.2584 -10.2529 -10.2285 -10.2151 -10.2033 0.6134 0.6720 3.4202 3.4228 6.1130 6.3149 6.8914 7.0341 14.5594 14.5771 15.4634 15.4862 16.6673 16.9779 18.6974 18.7687 k = 0.5000 0.0459 0.5474 ( 1264 PWs) bands (ev): -11.3165 -11.2859 -11.2663 -11.2491 -10.3361 -10.2587 -10.2534 -10.2292 -10.2149 -10.2034 0.5834 0.6407 3.4331 3.4363 6.0959 6.2942 6.9703 7.1159 14.5529 14.5729 15.4189 15.4503 16.6760 16.9737 18.7611 18.8363 k = 0.5000 0.0525 0.5381 ( 1264 PWs) bands (ev): -11.3162 -11.2861 -11.2668 -11.2491 -10.3355 -10.2591 -10.2540 -10.2300 -10.2145 -10.2034 0.5502 0.6060 3.4456 3.4493 6.0864 6.2816 7.0520 7.1995 14.5461 14.5683 15.3685 15.4087 16.6884 16.9732 18.8277 18.9050 k = 0.5000 0.0590 0.5289 ( 1270 PWs) bands (ev): -11.3158 -11.2863 -11.2674 -11.2492 -10.3347 -10.2596 -10.2547 -10.2308 -10.2142 -10.2035 0.5142 0.5684 3.4572 3.4611 6.0852 6.2777 7.1357 7.2846 14.5394 14.5636 15.3131 15.3620 16.7046 16.9767 18.8939 18.9716 k = 0.5000 0.0656 0.5196 ( 1270 PWs) bands (ev): -11.3154 -11.2866 -11.2680 -11.2492 -10.3339 -10.2601 -10.2554 -10.2317 -10.2138 -10.2036 0.4758 0.5283 3.4670 3.4711 6.0929 6.2828 7.2211 7.3708 14.5326 14.5586 15.2534 15.3107 16.7243 16.9846 18.9560 19.0322 k = 0.5000 0.0722 0.5103 ( 1270 PWs) bands (ev): -11.3150 -11.2869 -11.2686 -11.2494 -10.3331 -10.2607 -10.2562 -10.2327 -10.2133 -10.2036 0.4355 0.4863 3.4745 3.4785 6.1099 6.2972 7.3077 7.4577 14.5259 14.5531 15.1908 15.2556 16.7474 16.9967 19.0094 19.0818 k = 0.5000 0.0787 0.5010 ( 1270 PWs) bands (ev): -11.3145 -11.2872 -11.2693 -11.2495 -10.3321 -10.2615 -10.2570 -10.2337 -10.2129 -10.2037 0.3937 0.4426 3.4792 3.4830 6.1366 6.3212 7.3951 7.5451 14.5189 14.5468 15.1264 15.1979 16.7732 17.0127 19.0493 19.1152 k = 0.5000 0.0853 0.4918 ( 1272 PWs) bands (ev): -11.3140 -11.2876 -11.2699 -11.2497 -10.3311 -10.2624 -10.2578 -10.2348 -10.2123 -10.2037 0.3506 0.3978 3.4809 3.4843 6.1729 6.3548 7.4830 7.6327 14.5110 14.5388 15.0622 15.1389 16.8013 17.0322 19.0710 19.1267 k = 0.5000 0.0919 0.4825 ( 1272 PWs) bands (ev): -11.3135 -11.2879 -11.2706 -11.2500 -10.3300 -10.2634 -10.2586 -10.2359 -10.2118 -10.2037 0.3068 0.3522 3.4792 3.4821 6.2188 6.3979 7.5710 7.7200 14.5014 14.5274 15.0003 15.0804 16.8312 17.0547 19.0710 19.1129 k = 0.5000 0.0984 0.4732 ( 1276 PWs) bands (ev): -11.3129 -11.2883 -11.2713 -11.2504 -10.3289 -10.2645 -10.2594 -10.2371 -10.2112 -10.2036 0.2625 0.3061 3.4742 3.4766 6.2741 6.4502 7.6589 7.8069 14.4883 14.5105 14.9438 15.0249 16.8623 17.0795 19.0471 19.0745 k = 0.5000 0.1050 0.4639 ( 1278 PWs) bands (ev): -11.3123 -11.2887 -11.2720 -11.2508 -10.3277 -10.2657 -10.2602 -10.2383 -10.2106 -10.2036 0.2179 0.2598 3.4658 3.4679 6.3383 6.5114 7.7463 7.8931 14.4692 14.4850 14.8966 14.9754 16.8940 17.1061 18.9957 19.0190 k = 0.5000 0.1115 0.4546 ( 1272 PWs) bands (ev): -11.3117 -11.2891 -11.2726 -11.2513 -10.3265 -10.2671 -10.2610 -10.2396 -10.2099 -10.2035 0.1735 0.2135 3.4541 3.4564 6.4111 6.5810 7.8330 7.9781 14.4393 14.4497 14.8621 14.9355 16.9256 17.1337 18.9171 18.9539 k = 0.5000 0.1181 0.4454 ( 1274 PWs) bands (ev): -11.3110 -11.2895 -11.2733 -11.2518 -10.3252 -10.2685 -10.2617 -10.2409 -10.2093 -10.2033 0.1293 0.1676 3.4394 3.4423 6.4919 6.6587 7.9186 8.0619 14.3915 14.4080 14.8420 14.9084 16.9567 17.1618 18.8213 18.8773 k = 0.5000 0.1247 0.4361 ( 1272 PWs) bands (ev): -11.3103 -11.2900 -11.2740 -11.2524 -10.3238 -10.2699 -10.2625 -10.2423 -10.2086 -10.2031 0.0856 0.1222 3.4221 3.4258 6.5801 6.7437 8.0030 8.1440 14.3285 14.3569 14.8356 14.8959 16.9866 17.1896 18.7151 18.7904 k = 0.5000 0.1312 0.4268 ( 1272 PWs) bands (ev): -11.3096 -11.2904 -11.2746 -11.2531 -10.3225 -10.2714 -10.2632 -10.2437 -10.2078 -10.2029 0.0426 0.0775 3.4027 3.4072 6.6751 6.8356 8.0857 8.2243 14.2551 14.2947 14.8412 14.8975 17.0147 17.2164 18.6023 18.6960 k = 0.5000 0.1378 0.4175 ( 1272 PWs) bands (ev): -11.3089 -11.2908 -11.2753 -11.2539 -10.3211 -10.2729 -10.2640 -10.2452 -10.2071 -10.2027 0.0005 0.0337 3.3815 3.3869 6.7763 6.9336 8.1667 8.3024 14.1742 14.2227 14.8568 14.9115 17.0402 17.2416 18.4859 18.5966 k = 0.5000 0.1443 0.4082 ( 1272 PWs) bands (ev): -11.3081 -11.2913 -11.2759 -11.2547 -10.3197 -10.2745 -10.2648 -10.2467 -10.2064 -10.2024 -0.0406 -0.0091 3.3590 3.3651 6.8831 7.0373 8.2457 8.3782 14.0877 14.1429 14.8812 14.9359 17.0624 17.2642 18.3683 18.4946 k = 0.5000 0.1509 0.3990 ( 1272 PWs) bands (ev): -11.3074 -11.2917 -11.2765 -11.2556 -10.3182 -10.2759 -10.2656 -10.2482 -10.2056 -10.2021 -0.0805 -0.0507 3.3355 3.3422 6.9948 7.1459 8.3224 8.4513 13.9968 14.0569 14.9132 14.9691 17.0807 17.2834 18.2515 18.3921 k = 0.5000 0.1575 0.3897 ( 1270 PWs) bands (ev): -11.3066 -11.2921 -11.2772 -11.2565 -10.3168 -10.2774 -10.2664 -10.2498 -10.2048 -10.2017 -0.1191 -0.0909 3.3114 3.3186 7.1109 7.2588 8.3966 8.5217 13.9026 13.9660 14.9523 15.0100 17.0941 17.2979 18.1375 18.2911 k = 0.5000 0.1640 0.3804 ( 1272 PWs) bands (ev): -11.3058 -11.2925 -11.2778 -11.2575 -10.3153 -10.2788 -10.2672 -10.2514 -10.2041 -10.2013 -0.1564 -0.1298 3.2869 3.2946 7.2307 7.3755 8.4681 8.5891 13.8055 13.8711 14.9979 15.0578 17.1018 17.3064 18.0283 18.1931 k = 0.5000 0.1706 0.3711 ( 1272 PWs) bands (ev): -11.3050 -11.2929 -11.2783 -11.2585 -10.3138 -10.2802 -10.2680 -10.2531 -10.2033 -10.2010 -0.1922 -0.1671 3.2624 3.2704 7.3536 7.4953 8.5369 8.6533 13.7061 13.7730 15.0496 15.1122 17.1029 17.3071 17.9260 18.0997 k = 0.5000 0.1771 0.3619 ( 1274 PWs) bands (ev): -11.3041 -11.2932 -11.2789 -11.2596 -10.3123 -10.2815 -10.2689 -10.2547 -10.2026 -10.2006 -0.2264 -0.2028 3.2381 3.2463 7.4792 7.6175 8.6026 8.7143 13.6046 13.6721 15.1072 15.1726 17.0968 17.2979 17.8331 18.0122 k = 0.5000 0.1837 0.3526 ( 1270 PWs) bands (ev): -11.3033 -11.2935 -11.2795 -11.2608 -10.3108 -10.2827 -10.2697 -10.2563 -10.2019 -10.2001 -0.2589 -0.2369 3.2142 3.2225 7.6066 7.7417 8.6651 8.7718 13.5014 13.5690 15.1703 15.2388 17.0828 17.2766 17.7520 17.9314 k = 0.5000 0.1903 0.3433 ( 1278 PWs) bands (ev): -11.3025 -11.2938 -11.2800 -11.2619 -10.3093 -10.2838 -10.2706 -10.2579 -10.2012 -10.1997 -0.2897 -0.2692 3.1910 3.1992 7.7354 7.8670 8.7245 8.8258 13.3969 13.4641 15.2388 15.3105 17.0609 17.2419 17.6839 17.8579 k = 0.5000 0.1968 0.3340 ( 1276 PWs) bands (ev): -11.3017 -11.2941 -11.2805 -11.2631 -10.3079 -10.2849 -10.2714 -10.2595 -10.2005 -10.1993 -0.3188 -0.2997 3.1686 3.1767 7.8648 7.9927 8.7805 8.8761 13.2914 13.3578 15.3122 15.3874 17.0316 17.1948 17.6280 17.7913 k = 0.5000 0.2034 0.3247 ( 1272 PWs) bands (ev): -11.3008 -11.2943 -11.2810 -11.2644 -10.3064 -10.2859 -10.2723 -10.2611 -10.1999 -10.1989 -0.3459 -0.3284 3.1472 3.1551 7.9942 8.1182 8.8331 8.9229 13.1854 13.2507 15.3904 15.4692 16.9957 17.1384 17.5812 17.7307 k = 0.5000 0.2099 0.3155 ( 1272 PWs) bands (ev): -11.3000 -11.2945 -11.2814 -11.2656 -10.3050 -10.2867 -10.2731 -10.2627 -10.1992 -10.1985 -0.3712 -0.3551 3.1270 3.1346 8.1227 8.2424 8.8823 8.9660 13.0795 13.1434 15.4729 15.5556 16.9549 17.0769 17.5393 17.6746 k = 0.5000 0.2165 0.3062 ( 1264 PWs) bands (ev): -11.2992 -11.2947 -11.2818 -11.2669 -10.3036 -10.2875 -10.2739 -10.2642 -10.1987 -10.1981 -0.3946 -0.3799 3.1080 3.1152 8.2494 8.3646 8.9281 9.0055 12.9744 13.0366 15.5593 15.6461 16.9109 17.0141 17.4986 17.6211 k = 0.5000 0.2231 0.2969 ( 1270 PWs) bands (ev): -11.2985 -11.2948 -11.2821 -11.2682 -10.3023 -10.2883 -10.2747 -10.2656 -10.1981 -10.1977 -0.4160 -0.4027 3.0904 3.0971 8.3733 8.4834 8.9705 9.0413 12.8710 12.9309 15.6491 15.7402 16.8656 16.9530 17.4562 17.5683 k = 0.5000 0.2296 0.2876 ( 1268 PWs) bands (ev): -11.2978 -11.2949 -11.2824 -11.2694 -10.3010 -10.2889 -10.2754 -10.2671 -10.1976 -10.1973 -0.4354 -0.4234 3.0742 3.0804 8.4933 8.5978 9.0097 9.0736 12.7702 12.8276 15.7418 15.8373 16.8207 16.8958 17.4104 17.5142 k = 0.5000 0.2362 0.2784 ( 1272 PWs) bands (ev): -11.2971 -11.2949 -11.2825 -11.2707 -10.2997 -10.2894 -10.2761 -10.2685 -10.1972 -10.1970 -0.4528 -0.4422 3.0596 3.0653 8.6080 8.7060 9.0457 9.1026 12.6733 12.7276 15.8366 15.9369 16.7775 16.8438 17.3601 17.4574 k = 0.5000 0.2427 0.2691 ( 1270 PWs) bands (ev): -11.2965 -11.2949 -11.2826 -11.2719 -10.2985 -10.2899 -10.2767 -10.2698 -10.1968 -10.1966 -0.4681 -0.4588 3.0466 3.0516 8.7158 8.8063 9.0789 9.1284 12.5818 12.6323 15.9326 16.0379 16.7374 16.7985 17.3047 17.3967 k = 0.5000 0.2493 0.2598 ( 1272 PWs) bands (ev): -11.2960 -11.2949 -11.2826 -11.2732 -10.2974 -10.2903 -10.2771 -10.2711 -10.1965 -10.1964 -0.4813 -0.4734 3.0352 3.0397 8.8148 8.8964 9.1099 9.1515 12.4973 12.5432 16.0286 16.1390 16.7016 16.7608 17.2442 17.3314 k = 0.5000 0.2559 0.2505 ( 1274 PWs) bands (ev): -11.2955 -11.2949 -11.2824 -11.2744 -10.2963 -10.2907 -10.2775 -10.2723 -10.1962 -10.1961 -0.4924 -0.4858 3.0256 3.0294 8.9027 8.9735 9.1396 9.1723 12.4217 12.4622 16.1230 16.2384 16.6720 16.7319 17.1788 17.2610 k = 0.5000 0.2624 0.2412 ( 1276 PWs) bands (ev): -11.2952 -11.2948 -11.2821 -11.2755 -10.2954 -10.2910 -10.2777 -10.2734 -10.1959 -10.1959 -0.5014 -0.4962 3.0178 3.0208 8.9770 9.0343 9.1690 9.1917 12.3569 12.3911 16.2135 16.3319 16.6518 16.7135 17.1094 17.1856 k = 0.5000 0.2690 0.2320 ( 1270 PWs) bands (ev): -11.2949 -11.2948 -11.2817 -11.2766 -10.2946 -10.2914 -10.2777 -10.2744 -10.1958 -10.1957 -0.5083 -0.5043 3.0117 3.0140 9.0354 9.0769 9.1980 9.2103 12.3051 12.3318 16.2965 16.4106 16.6484 16.7078 17.0374 17.1059 k = 0.5000 0.2756 0.2227 ( 1268 PWs) bands (ev): -11.2948 -11.2947 -11.2811 -11.2777 -10.2938 -10.2918 -10.2776 -10.2753 -10.1956 -10.1956 -0.5130 -0.5104 3.0075 3.0091 9.0766 9.1023 9.2233 9.2276 12.2679 12.2863 16.3670 16.4581 16.6754 16.7178 16.9659 17.0233 k = 0.5000 0.2821 0.2134 ( 1260 PWs) bands (ev): -11.2947 -11.2947 -11.2804 -11.2787 -10.2932 -10.2922 -10.2773 -10.2761 -10.1955 -10.1955 -0.5156 -0.5142 3.0051 3.0059 9.1018 9.1138 9.2403 9.2409 12.2469 12.2564 16.4200 16.4684 16.7307 16.7440 16.9029 16.9422 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -11.2947 -11.2947 -11.2796 -11.2796 -10.2926 -10.2926 -10.2768 -10.2768 -10.1955 -10.1955 -0.5160 -0.5160 3.0046 3.0046 9.1136 9.1136 9.2461 9.2461 12.2430 12.2430 16.4538 16.4538 16.7672 16.7672 16.8833 16.8833 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -11.2947 -11.2947 -11.2796 -11.2796 -10.2926 -10.2926 -10.2768 -10.2768 -10.1955 -10.1955 -0.5160 -0.5160 3.0046 3.0046 9.1136 9.1136 9.2461 9.2461 12.2430 12.2430 16.4538 16.4538 16.7672 16.7672 16.8833 16.8833 k = 0.4967 0.2868 0.2149 ( 1260 PWs) bands (ev): -11.2947 -11.2947 -11.2804 -11.2787 -10.2932 -10.2922 -10.2773 -10.2761 -10.1955 -10.1955 -0.5155 -0.5142 3.0051 3.0059 9.1017 9.1138 9.2404 9.2408 12.2470 12.2564 16.4199 16.4684 16.7305 16.7439 16.9031 16.9425 k = 0.4934 0.2849 0.2256 ( 1264 PWs) bands (ev): -11.2948 -11.2947 -11.2811 -11.2777 -10.2938 -10.2918 -10.2776 -10.2753 -10.1956 -10.1956 -0.5130 -0.5103 3.0075 3.0091 9.0765 9.1021 9.2241 9.2267 12.2681 12.2866 16.3667 16.4579 16.6753 16.7176 16.9664 17.0238 k = 0.4901 0.2830 0.2364 ( 1268 PWs) bands (ev): -11.2949 -11.2948 -11.2817 -11.2766 -10.2946 -10.2914 -10.2777 -10.2744 -10.1958 -10.1957 -0.5082 -0.5043 3.0118 3.0141 9.0353 9.0758 9.2008 9.2076 12.3054 12.3322 16.2959 16.4100 16.6488 16.7073 17.0382 17.1064 k = 0.4868 0.2811 0.2471 ( 1278 PWs) bands (ev): -11.2951 -11.2949 -11.2821 -11.2755 -10.2954 -10.2911 -10.2777 -10.2734 -10.1959 -10.1959 -0.5013 -0.4961 3.0179 3.0209 8.9771 9.0314 9.1754 9.1863 12.3576 12.3917 16.2126 16.3309 16.6531 16.7125 17.1106 17.1860 k = 0.4836 0.2792 0.2578 ( 1278 PWs) bands (ev): -11.2955 -11.2950 -11.2824 -11.2743 -10.2963 -10.2907 -10.2775 -10.2723 -10.1962 -10.1961 -0.4923 -0.4857 3.0257 3.0295 8.9027 8.9682 9.1507 9.1639 12.4225 12.4630 16.1219 16.2371 16.6748 16.7302 17.1805 17.2608 k = 0.4803 0.2773 0.2686 ( 1272 PWs) bands (ev): -11.2958 -11.2951 -11.2826 -11.2731 -10.2973 -10.2904 -10.2771 -10.2711 -10.1965 -10.1963 -0.4811 -0.4732 3.0354 3.0398 8.8144 8.8886 9.1261 9.1402 12.4983 12.5439 16.0275 16.1377 16.7068 16.7577 17.2465 17.3299 k = 0.4770 0.2754 0.2793 ( 1276 PWs) bands (ev): -11.2963 -11.2951 -11.2826 -11.2719 -10.2984 -10.2901 -10.2765 -10.2698 -10.1969 -10.1966 -0.4678 -0.4585 3.0468 3.0519 8.7146 8.7958 9.1005 9.1148 12.5826 12.6323 15.9319 16.0369 16.7462 16.7935 17.3075 17.3930 k = 0.4737 0.2735 0.2901 ( 1277 PWs) bands (ev): -11.2969 -11.2952 -11.2825 -11.2707 -10.2996 -10.2897 -10.2759 -10.2685 -10.1973 -10.1969 -0.4524 -0.4418 3.0599 3.0656 8.6053 8.6926 9.0733 9.0874 12.6733 12.7261 15.8369 15.9368 16.7918 16.8365 17.3633 17.4498 k = 0.4704 0.2716 0.3008 ( 1275 PWs) bands (ev): -11.2974 -11.2953 -11.2823 -11.2694 -10.3008 -10.2893 -10.2751 -10.2671 -10.1977 -10.1972 -0.4349 -0.4230 3.0746 3.0808 8.4884 8.5809 9.0441 9.0580 12.7684 12.8233 15.7442 15.8391 16.8428 16.8860 17.4137 17.5002 k = 0.4671 0.2697 0.3116 ( 1277 PWs) bands (ev): -11.2981 -11.2953 -11.2820 -11.2681 -10.3020 -10.2889 -10.2742 -10.2657 -10.1983 -10.1976 -0.4154 -0.4021 3.0908 3.0976 8.3655 8.4627 9.0128 9.0265 12.8659 12.9220 15.6551 15.7451 16.8987 16.9415 17.4588 17.5446 k = 0.4638 0.2678 0.3223 ( 1281 PWs) bands (ev): -11.2987 -11.2954 -11.2816 -11.2668 -10.3032 -10.2885 -10.2732 -10.2643 -10.1988 -10.1979 -0.3939 -0.3792 3.1085 3.1157 8.2379 8.3394 8.9794 8.9929 12.9636 13.0200 15.5709 15.6560 16.9590 17.0023 17.4990 17.5832 k = 0.4605 0.2659 0.3330 ( 1279 PWs) bands (ev): -11.2994 -11.2954 -11.2812 -11.2656 -10.3045 -10.2881 -10.2721 -10.2628 -10.1995 -10.1983 -0.3705 -0.3543 3.1276 3.1352 8.1068 8.2122 8.9441 8.9574 13.0597 13.1155 15.4931 15.5731 17.0231 17.0680 17.5348 17.6165 k = 0.4572 0.2640 0.3438 ( 1279 PWs) bands (ev): -11.3001 -11.2954 -11.2807 -11.2643 -10.3057 -10.2876 -10.2710 -10.2613 -10.2001 -10.1986 -0.3450 -0.3274 3.1479 3.1558 7.9730 8.0822 8.9070 8.9202 13.1520 13.2064 15.4232 15.4978 17.0903 17.1382 17.5670 17.6450 k = 0.4539 0.2621 0.3545 ( 1275 PWs) bands (ev): -11.3008 -11.2954 -11.2801 -11.2631 -10.3070 -10.2871 -10.2698 -10.2597 -10.2009 -10.1989 -0.3177 -0.2987 3.1693 3.1774 7.8375 7.9502 8.8683 8.8815 13.2385 13.2904 15.3627 15.4317 17.1599 17.2125 17.5966 17.6695 k = 0.4507 0.2602 0.3653 ( 1271 PWs) bands (ev): -11.3015 -11.2954 -11.2795 -11.2618 -10.3082 -10.2867 -10.2686 -10.2581 -10.2016 -10.1993 -0.2886 -0.2680 3.1917 3.1999 7.7011 7.8172 8.8283 8.8413 13.3169 13.3653 15.3133 15.3761 17.2306 17.2903 17.6250 17.6906 k = 0.4474 0.2583 0.3760 ( 1271 PWs) bands (ev): -11.3022 -11.2954 -11.2789 -11.2606 -10.3095 -10.2862 -10.2673 -10.2565 -10.2024 -10.1996 -0.2577 -0.2356 3.2149 3.2231 7.5645 7.6840 8.7870 8.8000 13.3850 13.4290 15.2766 15.3326 17.3009 17.3711 17.6541 17.7094 k = 0.4441 0.2564 0.3868 ( 1275 PWs) bands (ev): -11.3028 -11.2954 -11.2782 -11.2595 -10.3107 -10.2857 -10.2660 -10.2548 -10.2032 -10.1999 -0.2251 -0.2015 3.2387 3.2468 7.4284 7.5512 8.7447 8.7577 13.4410 13.4796 15.2536 15.3025 17.3686 17.4542 17.6863 17.7267 k = 0.4408 0.2545 0.3975 ( 1278 PWs) bands (ev): -11.3035 -11.2953 -11.2776 -11.2583 -10.3119 -10.2853 -10.2647 -10.2531 -10.2041 -10.2001 -0.1908 -0.1657 3.2629 3.2707 7.2935 7.4195 8.7017 8.7146 13.4832 13.5158 15.2449 15.2864 17.4310 17.5386 17.7250 17.7443 k = 0.4375 0.2526 0.4082 ( 1276 PWs) bands (ev): -11.3042 -11.2953 -11.2769 -11.2572 -10.3131 -10.2848 -10.2633 -10.2513 -10.2050 -10.2003 -0.1550 -0.1284 3.2871 3.2946 7.1603 7.2897 8.6581 8.6710 13.5108 13.5372 15.2503 15.2844 17.4855 17.6220 17.7647 17.7731 k = 0.4342 0.2507 0.4190 ( 1278 PWs) bands (ev): -11.3048 -11.2952 -11.2762 -11.2562 -10.3142 -10.2844 -10.2620 -10.2496 -10.2059 -10.2005 -0.1178 -0.0896 3.3112 3.3182 7.0297 7.1624 8.6140 8.6270 13.5240 13.5442 15.2683 15.2955 17.5312 17.6975 17.7955 17.8323 k = 0.4309 0.2488 0.4297 ( 1276 PWs) bands (ev): -11.3054 -11.2952 -11.2755 -11.2552 -10.3153 -10.2840 -10.2607 -10.2478 -10.2068 -10.2006 -0.0793 -0.0495 3.3347 3.3411 6.9022 7.0383 8.5698 8.5827 13.5237 13.5382 15.2966 15.3178 17.5695 17.7505 17.8518 17.9015 k = 0.4276 0.2469 0.4405 ( 1280 PWs) bands (ev): -11.3060 -11.2951 -11.2748 -11.2543 -10.3164 -10.2837 -10.2594 -10.2459 -10.2078 -10.2007 -0.0396 -0.0082 3.3574 3.3630 6.7786 6.9182 8.5256 8.5385 13.5114 13.5209 15.3325 15.3485 17.6037 17.7840 17.9314 17.9782 k = 0.4243 0.2450 0.4512 ( 1276 PWs) bands (ev): -11.3066 -11.2951 -11.2741 -11.2534 -10.3174 -10.2834 -10.2582 -10.2441 -10.2087 -10.2007 0.0011 0.0341 3.3788 3.3836 6.6596 6.8027 8.4815 8.4944 13.4890 13.4945 15.3729 15.3847 17.6369 17.8133 18.0194 18.0600 k = 0.4211 0.2431 0.4620 ( 1276 PWs) bands (ev): -11.3072 -11.2950 -11.2734 -11.2525 -10.3184 -10.2831 -10.2570 -10.2422 -10.2097 -10.2006 0.0427 0.0773 3.3984 3.4023 6.5460 6.6926 8.4378 8.4507 13.4587 13.4610 15.4146 15.4232 17.6719 17.8448 18.1100 18.1447 k = 0.4178 0.2412 0.4727 ( 1276 PWs) bands (ev): -11.3077 -11.2950 -11.2728 -11.2518 -10.3193 -10.2829 -10.2559 -10.2403 -10.2106 -10.2005 0.0850 0.1212 3.4159 3.4187 6.4387 6.5887 8.3945 8.4074 13.4222 13.4222 15.4549 15.4610 17.7107 17.8810 18.2013 18.2308 k = 0.4145 0.2393 0.4835 ( 1270 PWs) bands (ev): -11.3083 -11.2950 -11.2721 -11.2511 -10.3202 -10.2827 -10.2548 -10.2384 -10.2116 -10.2003 0.1277 0.1655 3.4307 3.4324 6.3383 6.4919 8.3519 8.3647 13.3797 13.3812 15.4913 15.4956 17.7548 17.9231 18.2920 18.3172 k = 0.4112 0.2374 0.4942 ( 1270 PWs) bands (ev): -11.3088 -11.2949 -11.2714 -11.2504 -10.3211 -10.2826 -10.2538 -10.2365 -10.2125 -10.2000 0.1705 0.2100 3.4424 3.4431 6.2458 6.4028 8.3100 8.3229 13.3348 13.3371 15.5221 15.5247 17.8054 17.9721 18.3816 18.4029 k = 0.4079 0.2355 0.5049 ( 1274 PWs) bands (ev): -11.3093 -11.2949 -11.2708 -11.2498 -10.3218 -10.2825 -10.2528 -10.2345 -10.2134 -10.1997 0.2132 0.2542 3.4502 3.4505 6.1620 6.3222 8.2691 8.2819 13.2883 13.2910 15.5456 15.5469 17.8630 18.0280 18.4696 18.4872 k = 0.4046 0.2336 0.5157 ( 1274 PWs) bands (ev): -11.3098 -11.2949 -11.2702 -11.2493 -10.3226 -10.2825 -10.2520 -10.2326 -10.2143 -10.1993 0.2555 0.2980 3.4536 3.4547 6.0877 6.2509 8.2292 8.2420 13.2413 13.2438 15.5609 15.5610 17.9277 18.0909 18.5554 18.5694 k = 0.4013 0.2317 0.5264 ( 1270 PWs) bands (ev): -11.3102 -11.2949 -11.2696 -11.2489 -10.3232 -10.2826 -10.2512 -10.2308 -10.2152 -10.1988 0.2969 0.3409 3.4530 3.4549 6.0235 6.1895 8.1905 8.2033 13.1942 13.1963 15.5662 15.5678 17.9994 18.1603 18.6385 18.6488 k = 0.3980 0.2298 0.5372 ( 1272 PWs) bands (ev): -11.3107 -11.2949 -11.2690 -11.2485 -10.3239 -10.2827 -10.2504 -10.2289 -10.2160 -10.1983 0.3370 0.3824 3.4486 3.4509 5.9700 6.1383 8.1531 8.1659 13.1477 13.1489 15.5627 15.5659 18.0771 18.2352 18.7187 18.7248 k = 0.3947 0.2279 0.5479 ( 1274 PWs) bands (ev): -11.3111 -11.2949 -11.2684 -11.2482 -10.3244 -10.2829 -10.2498 -10.2271 -10.2168 -10.1977 0.3753 0.4220 3.4405 3.4430 5.9275 6.0978 8.1170 8.1298 13.1020 13.1022 15.5505 15.5554 18.1598 18.3144 18.7954 18.7966 k = 0.3914 0.2260 0.5587 ( 1276 PWs) bands (ev): -11.3115 -11.2949 -11.2679 -11.2480 -10.3249 -10.2831 -10.2492 -10.2254 -10.2175 -10.1971 0.4113 0.4591 3.4292 3.4316 5.8962 6.0681 8.0825 8.0952 13.0565 13.0576 15.5302 15.5369 18.2459 18.3961 18.8636 18.8684 k = 0.3882 0.2241 0.5694 ( 1278 PWs) bands (ev): -11.3119 -11.2950 -11.2674 -11.2478 -10.3254 -10.2834 -10.2487 -10.2239 -10.2181 -10.1965 0.4444 0.4932 3.4154 3.4175 5.8760 6.0490 8.0495 8.0623 13.0120 13.0146 15.5022 15.5108 18.3337 18.4784 18.9248 18.9373 k = 0.3849 0.2222 0.5801 ( 1276 PWs) bands (ev): -11.3122 -11.2951 -11.2669 -11.2477 -10.3258 -10.2838 -10.2482 -10.2227 -10.2183 -10.1959 0.4738 0.5234 3.3999 3.4016 5.8667 6.0404 8.0182 8.0310 12.9690 12.9733 15.4675 15.4780 18.4205 18.5586 18.9794 19.0019 k = 0.3816 0.2203 0.5909 ( 1278 PWs) bands (ev): -11.3126 -11.2951 -11.2665 -11.2477 -10.3261 -10.2842 -10.2478 -10.2222 -10.2178 -10.1952 0.4990 0.5491 3.3840 3.3852 5.8678 6.0418 7.9887 8.0014 12.9277 12.9337 15.4266 15.4390 18.5033 18.6334 19.0266 19.0620 k = 0.3783 0.2184 0.6016 ( 1282 PWs) bands (ev): -11.3129 -11.2952 -11.2661 -11.2477 -10.3264 -10.2847 -10.2475 -10.2224 -10.2168 -10.1946 0.5192 0.5695 3.3689 3.3696 5.8786 6.0527 7.9609 7.9737 12.8880 12.8960 15.3805 15.3947 18.5779 18.6990 19.0665 19.1175 k = 0.3750 0.2165 0.6124 ( 1288 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3266 -10.2852 -10.2472 -10.2229 -10.2155 -10.1940 0.5337 0.5838 3.3558 3.3562 5.8985 6.0724 7.9351 7.9480 12.8503 12.8603 15.3299 15.3458 18.6390 18.7510 19.1011 19.1685 k = 0.6250-0.0722 0.4082 ( 1288 PWs) bands (ev): -11.3132 -11.2953 -11.2657 -11.2478 -10.3266 -10.2852 -10.2472 -10.2229 -10.2155 -10.1940 0.5337 0.5838 3.3558 3.3562 5.8985 6.0724 7.9351 7.9480 12.8503 12.8603 15.3299 15.3458 18.6390 18.7510 19.1011 19.1685 k = 0.6193-0.0820 0.4082 ( 1284 PWs) bands (ev): -11.3136 -11.2956 -11.2651 -11.2480 -10.3269 -10.2861 -10.2467 -10.2238 -10.2131 -10.1929 0.5514 0.6009 3.3367 3.3368 5.9441 6.1173 7.8930 7.9059 12.7866 12.8003 15.2343 15.2530 18.7275 18.8235 19.1544 19.2523 k = 0.6136-0.0919 0.4082 ( 1272 PWs) bands (ev): -11.3140 -11.2959 -11.2645 -11.2483 -10.3271 -10.2871 -10.2462 -10.2248 -10.2108 -10.1918 0.5655 0.6140 3.3189 3.3191 5.9972 6.1693 7.8525 7.8655 12.7228 12.7403 15.1305 15.1516 18.8105 18.8887 19.2006 19.3348 k = 0.6080-0.1017 0.4082 ( 1272 PWs) bands (ev): -11.3144 -11.2962 -11.2639 -11.2486 -10.3273 -10.2882 -10.2458 -10.2258 -10.2085 -10.1908 0.5764 0.6235 3.3024 3.3027 6.0574 6.2280 7.8136 7.8267 12.6586 12.6801 15.0201 15.0431 18.8861 18.9460 19.2444 19.4155 k = 0.6023-0.1115 0.4082 ( 1272 PWs) bands (ev): -11.3148 -11.2966 -11.2634 -11.2490 -10.3274 -10.2893 -10.2453 -10.2267 -10.2062 -10.1898 0.5842 0.6299 3.2870 3.2873 6.1241 6.2929 7.7764 7.7897 12.5939 12.6194 14.9049 14.9292 18.9518 18.9953 19.2914 19.4939 k = 0.5966-0.1214 0.4082 ( 1272 PWs) bands (ev): -11.3150 -11.2971 -11.2628 -11.2493 -10.3273 -10.2905 -10.2449 -10.2277 -10.2040 -10.1887 0.5896 0.6334 3.2725 3.2729 6.1968 6.3633 7.7410 7.7545 12.5285 12.5582 14.7866 14.8117 19.0067 19.0375 19.3460 19.5697 k = 0.5909-0.1312 0.4082 ( 1272 PWs) bands (ev): -11.3153 -11.2977 -11.2623 -11.2497 -10.3272 -10.2917 -10.2444 -10.2285 -10.2019 -10.1877 0.5926 0.6345 3.2588 3.2593 6.2748 6.4386 7.7074 7.7212 12.4624 12.4961 14.6672 14.6922 19.0515 19.0740 19.4091 19.6430 k = 0.5852-0.1411 0.4082 ( 1276 PWs) bands (ev): -11.3155 -11.2983 -11.2617 -11.2501 -10.3270 -10.2929 -10.2440 -10.2294 -10.1999 -10.1868 0.5939 0.6336 3.2458 3.2464 6.3574 6.5179 7.6757 7.6899 12.3952 12.4331 14.5482 14.5727 19.0887 19.1061 19.4789 19.7140 k = 0.5795-0.1509 0.4082 ( 1276 PWs) bands (ev): -11.3156 -11.2989 -11.2612 -11.2505 -10.3267 -10.2942 -10.2436 -10.2302 -10.1979 -10.1859 0.5936 0.6311 3.2336 3.2341 6.4436 6.6005 7.6460 7.6605 12.3271 12.3688 14.4314 14.4547 19.1207 19.1352 19.5529 19.7827 k = 0.5739-0.1607 0.4082 ( 1280 PWs) bands (ev): -11.3157 -11.2996 -11.2607 -11.2509 -10.3264 -10.2956 -10.2432 -10.2310 -10.1961 -10.1850 0.5921 0.6272 3.2219 3.2225 6.5326 6.6852 7.6184 7.6333 12.2581 12.3034 14.3184 14.3400 19.1494 19.1620 19.6286 19.8490 k = 0.5682-0.1706 0.4082 ( 1276 PWs) bands (ev): -11.3157 -11.3004 -11.2603 -11.2512 -10.3259 -10.2970 -10.2428 -10.2317 -10.1943 -10.1842 0.5897 0.6223 3.2110 3.2116 6.6233 6.7711 7.5928 7.6083 12.1883 12.2367 14.2104 14.2299 19.1759 19.1872 19.7042 19.9126 k = 0.5625-0.1804 0.4082 ( 1276 PWs) bands (ev): -11.3156 -11.3012 -11.2598 -11.2516 -10.3253 -10.2984 -10.2425 -10.2325 -10.1926 -10.1835 0.5866 0.6167 3.2007 3.2013 6.7145 6.8569 7.5696 7.5856 12.1181 12.1690 14.1088 14.1259 19.2008 19.2109 19.7783 19.9730 k = 0.5568-0.1903 0.4082 ( 1276 PWs) bands (ev): -11.3155 -11.3020 -11.2594 -11.2520 -10.3247 -10.2998 -10.2421 -10.2331 -10.1910 -10.1828 0.5832 0.6107 3.1911 3.1917 6.8050 6.9412 7.5487 7.5654 12.0480 12.1005 14.0144 14.0291 19.2242 19.2332 19.8499 20.0296 k = 0.5511-0.2001 0.4082 ( 1276 PWs) bands (ev): -11.3153 -11.3029 -11.2589 -11.2524 -10.3239 -10.3012 -10.2417 -10.2338 -10.1895 -10.1823 0.5796 0.6044 3.1823 3.1828 6.8934 7.0225 7.5306 7.5479 11.9789 12.0321 13.9281 13.9403 19.2461 19.2541 19.9180 20.0818 k = 0.5455-0.2099 0.4082 ( 1272 PWs) bands (ev): -11.3150 -11.3037 -11.2585 -11.2528 -10.3231 -10.3027 -10.2413 -10.2344 -10.1882 -10.1818 0.5760 0.5981 3.1742 3.1747 6.9780 7.0991 7.5154 7.5332 11.9119 11.9644 13.8505 13.8603 19.2664 19.2733 19.9820 20.1292 k = 0.5398-0.2198 0.4082 ( 1272 PWs) bands (ev): -11.3147 -11.3046 -11.2581 -11.2531 -10.3222 -10.3042 -10.2410 -10.2349 -10.1869 -10.1813 0.5726 0.5920 3.1670 3.1675 7.0573 7.1689 7.5040 7.5218 11.8481 11.8986 13.7819 13.7896 19.2849 19.2908 20.0412 20.1712 k = 0.5341-0.2296 0.4082 ( 1282 PWs) bands (ev): -11.3143 -11.3055 -11.2577 -11.2535 -10.3213 -10.3056 -10.2406 -10.2355 -10.1858 -10.1810 0.5695 0.5862 3.1607 3.1611 7.1293 7.2295 7.4970 7.5141 11.7890 11.8362 13.7226 13.7283 19.3014 19.3064 20.0951 20.2073 k = 0.5284-0.2395 0.4082 ( 1282 PWs) bands (ev): -11.3139 -11.3064 -11.2573 -11.2538 -10.3202 -10.3071 -10.2402 -10.2360 -10.1847 -10.1808 0.5670 0.5809 3.1552 3.1556 7.1920 7.2781 7.4958 7.5105 11.7362 11.7785 13.6726 13.6767 19.3157 19.3198 20.1430 20.2372 k = 0.5227-0.2493 0.4082 ( 1286 PWs) bands (ev): -11.3133 -11.3073 -11.2570 -11.2542 -10.3191 -10.3085 -10.2399 -10.2365 -10.1838 -10.1807 0.5650 0.5761 3.1507 3.1510 7.2435 7.3126 7.5011 7.5115 11.6914 11.7273 13.6318 13.6347 19.3277 19.3309 20.1847 20.2604 k = 0.5170-0.2592 0.4082 ( 1286 PWs) bands (ev): -11.3127 -11.3082 -11.2566 -11.2545 -10.3180 -10.3100 -10.2395 -10.2370 -10.1830 -10.1807 0.5636 0.5720 3.1472 3.1475 7.2829 7.3330 7.5115 7.5166 11.6559 11.6841 13.6003 13.6022 19.3373 19.3397 20.2196 20.2766 k = 0.5114-0.2690 0.4082 ( 1286 PWs) bands (ev): -11.3121 -11.3091 -11.2562 -11.2549 -10.3167 -10.3114 -10.2391 -10.2374 -10.1823 -10.1808 0.5630 0.5686 3.1447 3.1449 7.3105 7.3422 7.5229 7.5240 11.6311 11.6505 13.5779 13.5791 19.3443 19.3459 20.2476 20.2857 k = 0.5057-0.2788 0.4082 ( 1296 PWs) bands (ev): -11.3114 -11.3099 -11.2559 -11.2552 -10.3155 -10.3128 -10.2387 -10.2379 -10.1818 -10.1810 0.5632 0.5660 3.1432 3.1433 7.3284 7.3435 7.5308 7.5311 11.6178 11.6278 13.5646 13.5652 19.3487 19.3495 20.2682 20.2873 k = 0.5000-0.2887 0.4082 ( 1298 PWs) bands (ev): -11.3107 -11.3107 -11.2555 -11.2555 -10.3141 -10.3141 -10.2383 -10.2383 -10.1813 -10.1813 0.5642 0.5642 3.1427 3.1427 7.3389 7.3389 7.5338 7.5338 11.6167 11.6167 13.5604 13.5604 19.3504 19.3504 20.2815 20.2815 Writing output data file SnC.save init_run : 2.76s CPU 12.91s WALL ( 1 calls) electrons : 113.10s CPU 117.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 113.07s CPU 117.43s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.78s WALL ( 1 calls) v_h : 0.04s CPU 0.06s WALL ( 1 calls) v_xc : 0.13s CPU 0.41s WALL ( 1 calls) newd : 0.19s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 408 calls) cegterg : 88.20s CPU 88.67s WALL ( 408 calls) Called by sum_band: Called by *egterg: h_psi : 44.34s CPU 47.45s WALL ( 6476 calls) s_psi : 2.20s CPU 2.93s WALL ( 6476 calls) g_psi : 0.03s CPU 0.11s WALL ( 5660 calls) cdiaghg : 30.12s CPU 29.50s WALL ( 6068 calls) cegterg:over : 8.60s CPU 6.72s WALL ( 5660 calls) cegterg:upda : 0.15s CPU 0.90s WALL ( 5660 calls) cegterg:last : 0.19s CPU 0.65s WALL ( 1289 calls) Called by h_psi: h_psi:vloc : 38.11s CPU 41.28s WALL ( 6476 calls) h_psi:vnl : 6.22s CPU 6.10s WALL ( 6476 calls) add_vuspsi : 0.47s CPU 1.96s WALL ( 6476 calls) General routines calbec : 5.74s CPU 4.01s WALL ( 6476 calls) fft : 0.63s CPU 1.14s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 36.93s CPU 39.44s WALL ( 456736 calls) interpolate : 0.10s CPU 0.12s WALL ( 4 calls) davcio : 0.02s CPU 1.76s WALL ( 816 calls) Parallel routines fft_scatter : 32.58s CPU 33.15s WALL ( 456759 calls) PWSCF : 2m20.84s CPU 3m34.83s WALL This run was terminated on: 7:34:58 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=