Program PWSCF v.5.1.1 starts on 20Jun2015 at 17:22:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./InSe.save/ file In.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 43 33 9 887 577 93 Max 44 34 10 890 591 96 Sum 2107 1591 475 42633 28061 4577 bravais-lattice index = 14 lattice parameter (alat) = 16.5356 a.u. unit-cell volume = 789.2045 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.535581 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.895516 celldm(5)= 0.895516 celldm(6)= 0.895516 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.895516 0.445029 0.000000 ) a(3) = ( 0.895516 0.210249 0.392232 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.012266 -1.204489 ) b(2) = ( 0.000000 2.247046 -1.204489 ) b(3) = ( 0.000000 0.000000 2.549511 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0108696 -0.0218725 -0.0130923), wk = 0.0033557 k( 3) = ( 0.0217391 -0.0437449 -0.0261845), wk = 0.0033557 k( 4) = ( 0.0326087 -0.0656174 -0.0392768), wk = 0.0033557 k( 5) = ( 0.0434783 -0.0874898 -0.0523691), wk = 0.0033557 k( 6) = ( 0.0543478 -0.1093623 -0.0654614), wk = 0.0033557 k( 7) = ( 0.0652174 -0.1312347 -0.0785536), wk = 0.0033557 k( 8) = ( 0.0760870 -0.1531072 -0.0916459), wk = 0.0033557 k( 9) = ( 0.0869565 -0.1749796 -0.1047382), wk = 0.0033557 k( 10) = ( 0.0978261 -0.1968521 -0.1178305), wk = 0.0033557 k( 11) = ( 0.1086957 -0.2187245 -0.1309227), wk = 0.0033557 k( 12) = ( 0.1195652 -0.2405970 -0.1440150), wk = 0.0033557 k( 13) = ( 0.1304348 -0.2624694 -0.1571073), wk = 0.0033557 k( 14) = ( 0.1413043 -0.2843419 -0.1701996), wk = 0.0033557 k( 15) = ( 0.1521739 -0.3062144 -0.1832918), wk = 0.0033557 k( 16) = ( 0.1630435 -0.3280868 -0.1963841), wk = 0.0033557 k( 17) = ( 0.1739130 -0.3499593 -0.2094764), wk = 0.0033557 k( 18) = ( 0.1847826 -0.3718317 -0.2225687), wk = 0.0033557 k( 19) = ( 0.1956522 -0.3937042 -0.2356609), wk = 0.0033557 k( 20) = ( 0.2065217 -0.4155766 -0.2487532), wk = 0.0033557 k( 21) = ( 0.2173913 -0.4374491 -0.2618455), wk = 0.0033557 k( 22) = ( 0.2282609 -0.4593215 -0.2749377), wk = 0.0033557 k( 23) = ( 0.2391304 -0.4811940 -0.2880300), wk = 0.0033557 k( 24) = ( 0.2500000 -0.5030665 -0.3011223), wk = 0.0033557 k( 25) = ( 0.2608696 -0.5249389 -0.3142146), wk = 0.0033557 k( 26) = ( 0.2717391 -0.5468114 -0.3273068), wk = 0.0033557 k( 27) = ( 0.2826087 -0.5686838 -0.3403991), wk = 0.0033557 k( 28) = ( 0.2934783 -0.5905563 -0.3534914), wk = 0.0033557 k( 29) = ( 0.3043478 -0.6124287 -0.3665837), wk = 0.0033557 k( 30) = ( 0.3152174 -0.6343012 -0.3796759), wk = 0.0033557 k( 31) = ( 0.3260870 -0.6561736 -0.3927682), wk = 0.0033557 k( 32) = ( 0.3369565 -0.6780461 -0.4058605), wk = 0.0033557 k( 33) = ( 0.3478261 -0.6999186 -0.4189528), wk = 0.0033557 k( 34) = ( 0.3586956 -0.7217910 -0.4320450), wk = 0.0033557 k( 35) = ( 0.3695652 -0.7436635 -0.4451373), wk = 0.0033557 k( 36) = ( 0.3804348 -0.7655359 -0.4582296), wk = 0.0033557 k( 37) = ( 0.3913044 -0.7874084 -0.4713219), wk = 0.0033557 k( 38) = ( 0.4021739 -0.8092808 -0.4844141), wk = 0.0033557 k( 39) = ( 0.4130435 -0.8311533 -0.4975064), wk = 0.0033557 k( 40) = ( 0.4239130 -0.8530257 -0.5105987), wk = 0.0033557 k( 41) = ( 0.4347826 -0.8748982 -0.5236909), wk = 0.0033557 k( 42) = ( 0.4456522 -0.8967706 -0.5367832), wk = 0.0033557 k( 43) = ( 0.4565217 -0.9186431 -0.5498755), wk = 0.0033557 k( 44) = ( 0.4673913 -0.9405155 -0.5629678), wk = 0.0033557 k( 45) = ( 0.4782609 -0.9623880 -0.5760600), wk = 0.0033557 k( 46) = ( 0.4891304 -0.9842604 -0.5891523), wk = 0.0033557 k( 47) = ( 0.5000000 -1.0061329 -0.6022446), wk = 0.0033557 k( 48) = ( 0.5000000 -1.0061329 -0.6022446), wk = 0.0033557 k( 49) = ( 0.5000000 -0.9922520 -0.6254346), wk = 0.0033557 k( 50) = ( 0.5000000 -0.9783710 -0.6486247), wk = 0.0033557 k( 51) = ( 0.5000000 -0.9644901 -0.6718147), wk = 0.0033557 k( 52) = ( 0.5000000 -0.9506091 -0.6950047), wk = 0.0033557 k( 53) = ( 0.5000000 -0.9367282 -0.7181948), wk = 0.0033557 k( 54) = ( 0.5000000 -0.9228472 -0.7413848), wk = 0.0033557 k( 55) = ( 0.5000000 -0.9089663 -0.7645749), wk = 0.0033557 k( 56) = ( 0.5000000 -0.8950854 -0.7877649), wk = 0.0033557 k( 57) = ( 0.5000000 -0.8812044 -0.8109549), wk = 0.0033557 k( 58) = ( 0.5000000 -0.8673235 -0.8341450), wk = 0.0033557 k( 59) = ( 0.5000000 -0.8534425 -0.8573350), wk = 0.0033557 k( 60) = ( 0.5000000 -0.8395616 -0.8805250), wk = 0.0033557 k( 61) = ( 0.5000000 -0.8256806 -0.9037151), wk = 0.0033557 k( 62) = ( 0.5000000 -0.8117997 -0.9269051), wk = 0.0033557 k( 63) = ( 0.5000000 -0.7979187 -0.9500952), wk = 0.0033557 k( 64) = ( 0.5000000 -0.7840378 -0.9732852), wk = 0.0033557 k( 65) = ( 0.5000000 -0.7701569 -0.9964752), wk = 0.0033557 k( 66) = ( 0.5000000 -0.7562759 -1.0196653), wk = 0.0033557 k( 67) = ( 0.5000000 -0.7423950 -1.0428553), wk = 0.0033557 k( 68) = ( 0.5000000 -0.7285140 -1.0660453), wk = 0.0033557 k( 69) = ( 0.5000000 -0.7146331 -1.0892353), wk = 0.0033557 k( 70) = ( 0.5000000 -0.7007522 -1.1124254), wk = 0.0033557 k( 71) = ( 0.5000000 -0.6868712 -1.1356154), wk = 0.0033557 k( 72) = ( 0.5000000 -0.6729903 -1.1588055), wk = 0.0033557 k( 73) = ( 0.5000000 -0.6591093 -1.1819955), wk = 0.0033557 k( 74) = ( 0.5000000 -0.6452284 -1.2051855), wk = 0.0033557 k( 75) = ( 0.5000000 -0.6313474 -1.2283756), wk = 0.0033557 k( 76) = ( 0.5000000 -0.6174665 -1.2515656), wk = 0.0033557 k( 77) = ( 0.5000000 -0.6035856 -1.2747556), wk = 0.0033557 k( 78) = ( 0.8208548 -0.5282553 -1.1342227), wk = 0.0033557 k( 79) = ( 0.8145636 -0.5155956 -1.1106053), wk = 0.0033557 k( 80) = ( 0.8082723 -0.5029359 -1.0869879), wk = 0.0033557 k( 81) = ( 0.8019810 -0.4902762 -1.0633704), wk = 0.0033557 k( 82) = ( 0.7956897 -0.4776165 -1.0397530), wk = 0.0033557 k( 83) = ( 0.7893985 -0.4649568 -1.0161355), wk = 0.0033557 k( 84) = ( 0.7831072 -0.4522971 -0.9925181), wk = 0.0033557 k( 85) = ( 0.7768159 -0.4396374 -0.9689007), wk = 0.0033557 k( 86) = ( 0.7705247 -0.4269777 -0.9452832), wk = 0.0033557 k( 87) = ( 0.7642334 -0.4143179 -0.9216658), wk = 0.0033557 k( 88) = ( 0.7579421 -0.4016582 -0.8980484), wk = 0.0033557 k( 89) = ( 0.7516508 -0.3889985 -0.8744309), wk = 0.0033557 k( 90) = ( 0.7453596 -0.3763388 -0.8508135), wk = 0.0033557 k( 91) = ( 0.7390683 -0.3636791 -0.8271960), wk = 0.0033557 k( 92) = ( 0.7327770 -0.3510194 -0.8035786), wk = 0.0033557 k( 93) = ( 0.7264858 -0.3383597 -0.7799612), wk = 0.0033557 k( 94) = ( 0.7201945 -0.3257000 -0.7563437), wk = 0.0033557 k( 95) = ( 0.7139032 -0.3130403 -0.7327263), wk = 0.0033557 k( 96) = ( 0.7076119 -0.3003806 -0.7091089), wk = 0.0033557 k( 97) = ( 0.7013207 -0.2877209 -0.6854915), wk = 0.0033557 k( 98) = ( 0.6950294 -0.2750611 -0.6618740), wk = 0.0033557 k( 99) = ( 0.6887381 -0.2624014 -0.6382566), wk = 0.0033557 k( 100) = ( 0.6824469 -0.2497417 -0.6146391), wk = 0.0033557 k( 101) = ( 0.6761556 -0.2370820 -0.5910217), wk = 0.0033557 k( 102) = ( 0.6698643 -0.2244223 -0.5674043), wk = 0.0033557 k( 103) = ( 0.6635730 -0.2117626 -0.5437868), wk = 0.0033557 k( 104) = ( 0.6572818 -0.1991029 -0.5201694), wk = 0.0033557 k( 105) = ( 0.6509905 -0.1864432 -0.4965520), wk = 0.0033557 k( 106) = ( 0.6446992 -0.1737835 -0.4729345), wk = 0.0033557 k( 107) = ( 0.6384080 -0.1611237 -0.4493171), wk = 0.0033557 k( 108) = ( 0.6321167 -0.1484640 -0.4256996), wk = 0.0033557 k( 109) = ( 0.6258254 -0.1358043 -0.4020822), wk = 0.0033557 k( 110) = ( 0.6195342 -0.1231446 -0.3784648), wk = 0.0033557 k( 111) = ( 0.6132429 -0.1104849 -0.3548474), wk = 0.0033557 k( 112) = ( 0.6069516 -0.0978252 -0.3312299), wk = 0.0033557 k( 113) = ( 0.6006603 -0.0851655 -0.3076125), wk = 0.0033557 k( 114) = ( 0.5943691 -0.0725058 -0.2839951), wk = 0.0033557 k( 115) = ( 0.5880778 -0.0598461 -0.2603776), wk = 0.0033557 k( 116) = ( 0.5817865 -0.0471864 -0.2367602), wk = 0.0033557 k( 117) = ( 0.5754953 -0.0345266 -0.2131427), wk = 0.0033557 k( 118) = ( 0.5692040 -0.0218669 -0.1895253), wk = 0.0033557 k( 119) = ( 0.5629127 -0.0092072 -0.1659079), wk = 0.0033557 k( 120) = ( 0.5566214 0.0034525 -0.1422904), wk = 0.0033557 k( 121) = ( 0.5503302 0.0161122 -0.1186730), wk = 0.0033557 k( 122) = ( 0.5440389 0.0287719 -0.0950556), wk = 0.0033557 k( 123) = ( 0.5377476 0.0414316 -0.0714381), wk = 0.0033557 k( 124) = ( 0.5314564 0.0540913 -0.0478207), wk = 0.0033557 k( 125) = ( 0.5251651 0.0667510 -0.0242032), wk = 0.0033557 k( 126) = ( 0.5188738 0.0794107 -0.0005858), wk = 0.0033557 k( 127) = ( 0.5125825 0.0920705 0.0230316), wk = 0.0033557 k( 128) = ( 0.5062913 0.1047302 0.0466490), wk = 0.0033557 k( 129) = ( 0.5000000 0.1173899 0.0702665), wk = 0.0033557 k( 130) = ( 0.5000000 0.1173899 0.0702665), wk = 0.0033557 k( 131) = ( 0.4736842 0.1112115 0.0665682), wk = 0.0033557 k( 132) = ( 0.4473684 0.1050330 0.0628700), wk = 0.0033557 k( 133) = ( 0.4210526 0.0988546 0.0591718), wk = 0.0033557 k( 134) = ( 0.3947368 0.0926762 0.0554735), wk = 0.0033557 k( 135) = ( 0.3684211 0.0864978 0.0517753), wk = 0.0033557 k( 136) = ( 0.3421053 0.0803194 0.0480771), wk = 0.0033557 k( 137) = ( 0.3157895 0.0741410 0.0443788), wk = 0.0033557 k( 138) = ( 0.2894737 0.0679626 0.0406806), wk = 0.0033557 k( 139) = ( 0.2631579 0.0617841 0.0369824), wk = 0.0033557 k( 140) = ( 0.2368421 0.0556057 0.0332841), wk = 0.0033557 k( 141) = ( 0.2105263 0.0494273 0.0295859), wk = 0.0033557 k( 142) = ( 0.1842105 0.0432489 0.0258876), wk = 0.0033557 k( 143) = ( 0.1578947 0.0370705 0.0221894), wk = 0.0033557 k( 144) = ( 0.1315790 0.0308921 0.0184912), wk = 0.0033557 k( 145) = ( 0.1052632 0.0247137 0.0147929), wk = 0.0033557 k( 146) = ( 0.0789474 0.0185352 0.0110947), wk = 0.0033557 k( 147) = ( 0.0526316 0.0123568 0.0073965), wk = 0.0033557 k( 148) = ( 0.0263158 0.0061784 0.0036982), wk = 0.0033557 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 151) = ( 0.0062884 -0.0126539 -0.0236066), wk = 0.0033557 k( 152) = ( 0.0125768 -0.0253078 -0.0472132), wk = 0.0033557 k( 153) = ( 0.0188651 -0.0379617 -0.0708197), wk = 0.0033557 k( 154) = ( 0.0251535 -0.0506156 -0.0944263), wk = 0.0033557 k( 155) = ( 0.0314419 -0.0632695 -0.1180329), wk = 0.0033557 k( 156) = ( 0.0377303 -0.0759234 -0.1416395), wk = 0.0033557 k( 157) = ( 0.0440187 -0.0885773 -0.1652461), wk = 0.0033557 k( 158) = ( 0.0503070 -0.1012312 -0.1888527), wk = 0.0033557 k( 159) = ( 0.0565954 -0.1138850 -0.2124593), wk = 0.0033557 k( 160) = ( 0.0628838 -0.1265389 -0.2360659), wk = 0.0033557 k( 161) = ( 0.0691722 -0.1391928 -0.2596724), wk = 0.0033557 k( 162) = ( 0.0754606 -0.1518467 -0.2832790), wk = 0.0033557 k( 163) = ( 0.0817490 -0.1645006 -0.3068856), wk = 0.0033557 k( 164) = ( 0.0880373 -0.1771545 -0.3304922), wk = 0.0033557 k( 165) = ( 0.0943257 -0.1898084 -0.3540988), wk = 0.0033557 k( 166) = ( 0.1006141 -0.2024623 -0.3777054), wk = 0.0033557 k( 167) = ( 0.1069025 -0.2151162 -0.4013120), wk = 0.0033557 k( 168) = ( 0.1131909 -0.2277701 -0.4249185), wk = 0.0033557 k( 169) = ( 0.1194792 -0.2404240 -0.4485251), wk = 0.0033557 k( 170) = ( 0.1257676 -0.2530779 -0.4721317), wk = 0.0033557 k( 171) = ( 0.1320560 -0.2657318 -0.4957383), wk = 0.0033557 k( 172) = ( 0.1383444 -0.2783857 -0.5193449), wk = 0.0033557 k( 173) = ( 0.1446328 -0.2910396 -0.5429515), wk = 0.0033557 k( 174) = ( 0.1509212 -0.3036935 -0.5665581), wk = 0.0033557 k( 175) = ( 0.1572095 -0.3163474 -0.5901647), wk = 0.0033557 k( 176) = ( 0.1634979 -0.3290013 -0.6137712), wk = 0.0033557 k( 177) = ( 0.1697863 -0.3416551 -0.6373778), wk = 0.0033557 k( 178) = ( 0.1760747 -0.3543090 -0.6609844), wk = 0.0033557 k( 179) = ( 0.1823631 -0.3669630 -0.6845910), wk = 0.0033557 k( 180) = ( 0.1886514 -0.3796168 -0.7081976), wk = 0.0033557 k( 181) = ( 0.1949398 -0.3922707 -0.7318042), wk = 0.0033557 k( 182) = ( 0.2012282 -0.4049246 -0.7554108), wk = 0.0033557 k( 183) = ( 0.2075166 -0.4175785 -0.7790173), wk = 0.0033557 k( 184) = ( 0.2138050 -0.4302324 -0.8026239), wk = 0.0033557 k( 185) = ( 0.2200933 -0.4428863 -0.8262305), wk = 0.0033557 k( 186) = ( 0.2263817 -0.4555402 -0.8498371), wk = 0.0033557 k( 187) = ( 0.2326701 -0.4681941 -0.8734437), wk = 0.0033557 k( 188) = ( 0.2389585 -0.4808480 -0.8970503), wk = 0.0033557 k( 189) = ( 0.2452469 -0.4935019 -0.9206569), wk = 0.0033557 k( 190) = ( 0.2515352 -0.5061558 -0.9442634), wk = 0.0033557 k( 191) = ( 0.2578236 -0.5188097 -0.9678700), wk = 0.0033557 k( 192) = ( 0.2641120 -0.5314636 -0.9914766), wk = 0.0033557 k( 193) = ( 0.2704004 -0.5441175 -1.0150832), wk = 0.0033557 k( 194) = ( 0.2766888 -0.5567714 -1.0386898), wk = 0.0033557 k( 195) = ( 0.2829772 -0.5694253 -1.0622964), wk = 0.0033557 k( 196) = ( 0.2892655 -0.5820792 -1.0859030), wk = 0.0033557 k( 197) = ( 0.2955539 -0.5947331 -1.1095096), wk = 0.0033557 k( 198) = ( 0.3018423 -0.6073869 -1.1331161), wk = 0.0033557 k( 199) = ( 0.3081307 -0.6200408 -1.1567227), wk = 0.0033557 k( 200) = ( 0.3144191 -0.6326947 -1.1803293), wk = 0.0033557 k( 201) = ( 0.3207074 -0.6453486 -1.2039359), wk = 0.0033557 k( 202) = ( 0.3269958 -0.6580025 -1.2275425), wk = 0.0033557 k( 203) = ( 0.3332842 -0.6706564 -1.2511490), wk = 0.0033557 k( 204) = ( 0.3395726 -0.6833103 -1.2747557), wk = 0.0033557 k( 205) = ( 0.6604274 -0.5659204 -1.2044892), wk = 0.0033557 k( 206) = ( 0.6542571 -0.5396393 -1.2044892), wk = 0.0033557 k( 207) = ( 0.6480868 -0.5133581 -1.2044892), wk = 0.0033557 k( 208) = ( 0.6419166 -0.4870769 -1.2044892), wk = 0.0033557 k( 209) = ( 0.6357463 -0.4607958 -1.2044892), wk = 0.0033557 k( 210) = ( 0.6295760 -0.4345146 -1.2044892), wk = 0.0033557 k( 211) = ( 0.6234057 -0.4082334 -1.2044892), wk = 0.0033557 k( 212) = ( 0.6172354 -0.3819523 -1.2044892), wk = 0.0033557 k( 213) = ( 0.6110651 -0.3556711 -1.2044892), wk = 0.0033557 k( 214) = ( 0.6048948 -0.3293900 -1.2044892), wk = 0.0033557 k( 215) = ( 0.5987246 -0.3031088 -1.2044892), wk = 0.0033557 k( 216) = ( 0.5925543 -0.2768276 -1.2044892), wk = 0.0033557 k( 217) = ( 0.5863840 -0.2505464 -1.2044892), wk = 0.0033557 k( 218) = ( 0.5802137 -0.2242653 -1.2044892), wk = 0.0033557 k( 219) = ( 0.5740434 -0.1979841 -1.2044892), wk = 0.0033557 k( 220) = ( 0.5678731 -0.1717030 -1.2044892), wk = 0.0033557 k( 221) = ( 0.5617028 -0.1454218 -1.2044892), wk = 0.0033557 k( 222) = ( 0.5555326 -0.1191406 -1.2044892), wk = 0.0033557 k( 223) = ( 0.5493623 -0.0928595 -1.2044892), wk = 0.0033557 k( 224) = ( 0.5431920 -0.0665783 -1.2044892), wk = 0.0033557 k( 225) = ( 0.5370217 -0.0402971 -1.2044892), wk = 0.0033557 k( 226) = ( 0.5308514 -0.0140160 -1.2044892), wk = 0.0033557 k( 227) = ( 0.5246811 0.0122652 -1.2044892), wk = 0.0033557 k( 228) = ( 0.5185109 0.0385464 -1.2044892), wk = 0.0033557 k( 229) = ( 0.5123406 0.0648275 -1.2044892), wk = 0.0033557 k( 230) = ( 0.5061703 0.0911087 -1.2044892), wk = 0.0033557 k( 231) = ( 0.5000000 0.1173899 -1.2044892), wk = 0.0033557 k( 232) = ( 0.5000000 0.1173899 -1.2044892), wk = 0.0033557 k( 233) = ( 0.5229182 0.1227706 -1.1944511), wk = 0.0033557 k( 234) = ( 0.5458364 0.1281513 -1.1844130), wk = 0.0033557 k( 235) = ( 0.5687546 0.1335321 -1.1743750), wk = 0.0033557 k( 236) = ( 0.5916728 0.1389128 -1.1643369), wk = 0.0033557 k( 237) = ( 0.6145910 0.1442935 -1.1542988), wk = 0.0033557 k( 238) = ( 0.6375092 0.1496742 -1.1442608), wk = 0.0033557 k( 239) = ( 0.6604274 0.1550550 -1.1342227), wk = 0.0033557 k( 240) = ( 0.6604274 0.1550550 -1.1342227), wk = 0.0033557 k( 241) = ( 0.6567813 0.1541989 -1.1068480), wk = 0.0033557 k( 242) = ( 0.6531353 0.1533429 -1.0794732), wk = 0.0033557 k( 243) = ( 0.6494892 0.1524869 -1.0520984), wk = 0.0033557 k( 244) = ( 0.6458431 0.1516309 -1.0247237), wk = 0.0033557 k( 245) = ( 0.6421970 0.1507748 -0.9973489), wk = 0.0033557 k( 246) = ( 0.6385509 0.1499188 -0.9699742), wk = 0.0033557 k( 247) = ( 0.6349049 0.1490628 -0.9425994), wk = 0.0033557 k( 248) = ( 0.6312588 0.1482068 -0.9152247), wk = 0.0033557 k( 249) = ( 0.6276127 0.1473507 -0.8878499), wk = 0.0033557 k( 250) = ( 0.6239666 0.1464947 -0.8604752), wk = 0.0033557 k( 251) = ( 0.6203206 0.1456387 -0.8331004), wk = 0.0033557 k( 252) = ( 0.6166745 0.1447827 -0.8057257), wk = 0.0033557 k( 253) = ( 0.6130284 0.1439266 -0.7783509), wk = 0.0033557 k( 254) = ( 0.6093823 0.1430706 -0.7509762), wk = 0.0033557 k( 255) = ( 0.6057362 0.1422146 -0.7236014), wk = 0.0033557 k( 256) = ( 0.6020902 0.1413586 -0.6962266), wk = 0.0033557 k( 257) = ( 0.5984441 0.1405025 -0.6688519), wk = 0.0033557 k( 258) = ( 0.5947980 0.1396465 -0.6414771), wk = 0.0033557 k( 259) = ( 0.5911519 0.1387905 -0.6141024), wk = 0.0033557 k( 260) = ( 0.5875059 0.1379345 -0.5867276), wk = 0.0033557 k( 261) = ( 0.5838598 0.1370784 -0.5593529), wk = 0.0033557 k( 262) = ( 0.5802137 0.1362224 -0.5319781), wk = 0.0033557 k( 263) = ( 0.5765676 0.1353664 -0.5046034), wk = 0.0033557 k( 264) = ( 0.5729216 0.1345104 -0.4772286), wk = 0.0033557 k( 265) = ( 0.5692755 0.1336543 -0.4498538), wk = 0.0033557 k( 266) = ( 0.5656294 0.1327983 -0.4224791), wk = 0.0033557 k( 267) = ( 0.5619833 0.1319423 -0.3951044), wk = 0.0033557 k( 268) = ( 0.5583372 0.1310863 -0.3677296), wk = 0.0033557 k( 269) = ( 0.5546912 0.1302302 -0.3403548), wk = 0.0033557 k( 270) = ( 0.5510451 0.1293742 -0.3129801), wk = 0.0033557 k( 271) = ( 0.5473990 0.1285182 -0.2856053), wk = 0.0033557 k( 272) = ( 0.5437529 0.1276622 -0.2582306), wk = 0.0033557 k( 273) = ( 0.5401069 0.1268061 -0.2308558), wk = 0.0033557 k( 274) = ( 0.5364608 0.1259501 -0.2034811), wk = 0.0033557 k( 275) = ( 0.5328147 0.1250941 -0.1761063), wk = 0.0033557 k( 276) = ( 0.5291686 0.1242381 -0.1487316), wk = 0.0033557 k( 277) = ( 0.5255225 0.1233820 -0.1213568), wk = 0.0033557 k( 278) = ( 0.5218765 0.1225260 -0.0939821), wk = 0.0033557 k( 279) = ( 0.5182304 0.1216700 -0.0666073), wk = 0.0033557 k( 280) = ( 0.5145843 0.1208140 -0.0392325), wk = 0.0033557 k( 281) = ( 0.5109382 0.1199579 -0.0118578), wk = 0.0033557 k( 282) = ( 0.5072922 0.1191019 0.0155170), wk = 0.0033557 k( 283) = ( 0.5036461 0.1182459 0.0428917), wk = 0.0033557 k( 284) = ( 0.5000000 0.1173899 0.0702665), wk = 0.0033557 k( 285) = ( 0.5000000 -1.0061329 -0.6022446), wk = 0.0033557 k( 286) = ( 0.5246811 -0.9971029 -0.5968395), wk = 0.0033557 k( 287) = ( 0.5493623 -0.9880729 -0.5914344), wk = 0.0033557 k( 288) = ( 0.5740434 -0.9790429 -0.5860293), wk = 0.0033557 k( 289) = ( 0.5987246 -0.9700129 -0.5806241), wk = 0.0033557 k( 290) = ( 0.6234057 -0.9609830 -0.5752190), wk = 0.0033557 k( 291) = ( 0.6480868 -0.9519530 -0.5698139), wk = 0.0033557 k( 292) = ( 0.6727680 -0.9429230 -0.5644088), wk = 0.0033557 k( 293) = ( 0.6974491 -0.9338930 -0.5590037), wk = 0.0033557 k( 294) = ( 0.7221303 -0.9248630 -0.5535986), wk = 0.0033557 k( 295) = ( 0.7468114 -0.9158330 -0.5481935), wk = 0.0033557 k( 296) = ( 0.7714926 -0.9068030 -0.5427883), wk = 0.0033557 k( 297) = ( 0.7961737 -0.8977730 -0.5373832), wk = 0.0033557 k( 298) = ( 0.8208548 -0.8887430 -0.5319781), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0033557 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0033557 k( 4) = ( 0.0326087 -0.0000000 0.0000000), wk = 0.0033557 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0033557 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0033557 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0033557 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0033557 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0033557 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0033557 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0033557 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0033557 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0033557 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0033557 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0033557 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0033557 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0033557 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0033557 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0033557 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0033557 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0033557 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0033557 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0033557 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033557 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0033557 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0033557 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0033557 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0033557 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0033557 k( 30) = ( 0.3152174 0.0000000 -0.0000000), wk = 0.0033557 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0033557 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0033557 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0033557 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0033557 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0033557 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0033557 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0033557 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0033557 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0033557 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0033557 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0033557 k( 42) = ( 0.4456522 0.0000000 0.0000000), wk = 0.0033557 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0033557 k( 44) = ( 0.4673913 0.0000000 0.0000000), wk = 0.0033557 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0033557 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0033557 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033557 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033557 k( 49) = ( 0.5000000 0.0061774 -0.0061774), wk = 0.0033557 k( 50) = ( 0.5000000 0.0123548 -0.0123548), wk = 0.0033557 k( 51) = ( 0.5000000 0.0185323 -0.0185323), wk = 0.0033557 k( 52) = ( 0.5000000 0.0247097 -0.0247097), wk = 0.0033557 k( 53) = ( 0.5000000 0.0308871 -0.0308871), wk = 0.0033557 k( 54) = ( 0.5000000 0.0370645 -0.0370645), wk = 0.0033557 k( 55) = ( 0.5000000 0.0432419 -0.0432419), wk = 0.0033557 k( 56) = ( 0.5000000 0.0494194 -0.0494194), wk = 0.0033557 k( 57) = ( 0.5000000 0.0555968 -0.0555968), wk = 0.0033557 k( 58) = ( 0.5000000 0.0617742 -0.0617742), wk = 0.0033557 k( 59) = ( 0.5000000 0.0679516 -0.0679516), wk = 0.0033557 k( 60) = ( 0.5000000 0.0741290 -0.0741290), wk = 0.0033557 k( 61) = ( 0.5000000 0.0803065 -0.0803065), wk = 0.0033557 k( 62) = ( 0.5000000 0.0864839 -0.0864839), wk = 0.0033557 k( 63) = ( 0.5000000 0.0926613 -0.0926613), wk = 0.0033557 k( 64) = ( 0.5000000 0.0988387 -0.0988387), wk = 0.0033557 k( 65) = ( 0.5000000 0.1050161 -0.1050161), wk = 0.0033557 k( 66) = ( 0.5000000 0.1111936 -0.1111936), wk = 0.0033557 k( 67) = ( 0.5000000 0.1173710 -0.1173710), wk = 0.0033557 k( 68) = ( 0.5000000 0.1235484 -0.1235484), wk = 0.0033557 k( 69) = ( 0.5000000 0.1297258 -0.1297258), wk = 0.0033557 k( 70) = ( 0.5000000 0.1359032 -0.1359032), wk = 0.0033557 k( 71) = ( 0.5000000 0.1420807 -0.1420806), wk = 0.0033557 k( 72) = ( 0.5000000 0.1482581 -0.1482581), wk = 0.0033557 k( 73) = ( 0.5000000 0.1544355 -0.1544355), wk = 0.0033557 k( 74) = ( 0.5000000 0.1606129 -0.1606129), wk = 0.0033557 k( 75) = ( 0.5000000 0.1667903 -0.1667903), wk = 0.0033557 k( 76) = ( 0.5000000 0.1729678 -0.1729677), wk = 0.0033557 k( 77) = ( 0.5000000 0.1791452 -0.1791452), wk = 0.0033557 k( 78) = ( 0.8208548 0.5000000 0.1791452), wk = 0.0033557 k( 79) = ( 0.8145636 0.5000000 0.1854364), wk = 0.0033557 k( 80) = ( 0.8082723 0.5000000 0.1917277), wk = 0.0033557 k( 81) = ( 0.8019810 0.5000000 0.1980190), wk = 0.0033557 k( 82) = ( 0.7956897 0.5000000 0.2043103), wk = 0.0033557 k( 83) = ( 0.7893985 0.5000000 0.2106015), wk = 0.0033557 k( 84) = ( 0.7831072 0.5000000 0.2168928), wk = 0.0033557 k( 85) = ( 0.7768159 0.5000000 0.2231841), wk = 0.0033557 k( 86) = ( 0.7705247 0.5000000 0.2294753), wk = 0.0033557 k( 87) = ( 0.7642334 0.5000000 0.2357666), wk = 0.0033557 k( 88) = ( 0.7579421 0.5000000 0.2420579), wk = 0.0033557 k( 89) = ( 0.7516508 0.5000000 0.2483491), wk = 0.0033557 k( 90) = ( 0.7453596 0.5000000 0.2546404), wk = 0.0033557 k( 91) = ( 0.7390683 0.5000000 0.2609317), wk = 0.0033557 k( 92) = ( 0.7327770 0.5000000 0.2672230), wk = 0.0033557 k( 93) = ( 0.7264858 0.5000000 0.2735142), wk = 0.0033557 k( 94) = ( 0.7201945 0.5000000 0.2798055), wk = 0.0033557 k( 95) = ( 0.7139032 0.5000000 0.2860968), wk = 0.0033557 k( 96) = ( 0.7076119 0.5000000 0.2923881), wk = 0.0033557 k( 97) = ( 0.7013207 0.5000000 0.2986793), wk = 0.0033557 k( 98) = ( 0.6950294 0.5000000 0.3049706), wk = 0.0033557 k( 99) = ( 0.6887381 0.5000000 0.3112619), wk = 0.0033557 k( 100) = ( 0.6824469 0.5000000 0.3175531), wk = 0.0033557 k( 101) = ( 0.6761556 0.5000000 0.3238444), wk = 0.0033557 k( 102) = ( 0.6698643 0.5000000 0.3301357), wk = 0.0033557 k( 103) = ( 0.6635730 0.5000000 0.3364270), wk = 0.0033557 k( 104) = ( 0.6572818 0.5000000 0.3427182), wk = 0.0033557 k( 105) = ( 0.6509905 0.5000000 0.3490095), wk = 0.0033557 k( 106) = ( 0.6446992 0.5000000 0.3553008), wk = 0.0033557 k( 107) = ( 0.6384080 0.5000000 0.3615920), wk = 0.0033557 k( 108) = ( 0.6321167 0.5000000 0.3678833), wk = 0.0033557 k( 109) = ( 0.6258254 0.5000000 0.3741746), wk = 0.0033557 k( 110) = ( 0.6195342 0.5000000 0.3804658), wk = 0.0033557 k( 111) = ( 0.6132429 0.5000000 0.3867571), wk = 0.0033557 k( 112) = ( 0.6069516 0.5000000 0.3930484), wk = 0.0033557 k( 113) = ( 0.6006603 0.5000000 0.3993397), wk = 0.0033557 k( 114) = ( 0.5943691 0.5000000 0.4056309), wk = 0.0033557 k( 115) = ( 0.5880778 0.5000000 0.4119222), wk = 0.0033557 k( 116) = ( 0.5817865 0.5000000 0.4182135), wk = 0.0033557 k( 117) = ( 0.5754953 0.5000000 0.4245047), wk = 0.0033557 k( 118) = ( 0.5692040 0.5000000 0.4307960), wk = 0.0033557 k( 119) = ( 0.5629127 0.5000000 0.4370873), wk = 0.0033557 k( 120) = ( 0.5566214 0.5000000 0.4433786), wk = 0.0033557 k( 121) = ( 0.5503302 0.5000000 0.4496698), wk = 0.0033557 k( 122) = ( 0.5440389 0.5000000 0.4559611), wk = 0.0033557 k( 123) = ( 0.5377476 0.5000000 0.4622524), wk = 0.0033557 k( 124) = ( 0.5314564 0.5000000 0.4685436), wk = 0.0033557 k( 125) = ( 0.5251651 0.5000000 0.4748349), wk = 0.0033557 k( 126) = ( 0.5188738 0.5000000 0.4811262), wk = 0.0033557 k( 127) = ( 0.5125825 0.5000000 0.4874175), wk = 0.0033557 k( 128) = ( 0.5062913 0.5000000 0.4937087), wk = 0.0033557 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557 k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557 k( 131) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0033557 k( 132) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0033557 k( 133) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0033557 k( 134) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0033557 k( 135) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0033557 k( 136) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0033557 k( 137) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0033557 k( 138) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0033557 k( 139) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0033557 k( 140) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0033557 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0033557 k( 142) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0033557 k( 143) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0033557 k( 144) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0033557 k( 145) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0033557 k( 146) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0033557 k( 147) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0033557 k( 148) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0033557 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 151) = ( 0.0062884 0.0000000 -0.0062884), wk = 0.0033557 k( 152) = ( 0.0125768 0.0000000 -0.0125768), wk = 0.0033557 k( 153) = ( 0.0188651 0.0000000 -0.0188651), wk = 0.0033557 k( 154) = ( 0.0251535 0.0000000 -0.0251535), wk = 0.0033557 k( 155) = ( 0.0314419 0.0000000 -0.0314419), wk = 0.0033557 k( 156) = ( 0.0377303 0.0000000 -0.0377303), wk = 0.0033557 k( 157) = ( 0.0440187 0.0000000 -0.0440187), wk = 0.0033557 k( 158) = ( 0.0503070 0.0000000 -0.0503070), wk = 0.0033557 k( 159) = ( 0.0565954 0.0000000 -0.0565954), wk = 0.0033557 k( 160) = ( 0.0628838 0.0000000 -0.0628838), wk = 0.0033557 k( 161) = ( 0.0691722 0.0000000 -0.0691722), wk = 0.0033557 k( 162) = ( 0.0754606 0.0000000 -0.0754606), wk = 0.0033557 k( 163) = ( 0.0817490 0.0000000 -0.0817490), wk = 0.0033557 k( 164) = ( 0.0880373 0.0000000 -0.0880373), wk = 0.0033557 k( 165) = ( 0.0943257 0.0000000 -0.0943257), wk = 0.0033557 k( 166) = ( 0.1006141 0.0000000 -0.1006141), wk = 0.0033557 k( 167) = ( 0.1069025 0.0000000 -0.1069025), wk = 0.0033557 k( 168) = ( 0.1131909 0.0000000 -0.1131909), wk = 0.0033557 k( 169) = ( 0.1194792 0.0000000 -0.1194792), wk = 0.0033557 k( 170) = ( 0.1257676 0.0000000 -0.1257676), wk = 0.0033557 k( 171) = ( 0.1320560 0.0000000 -0.1320560), wk = 0.0033557 k( 172) = ( 0.1383444 0.0000000 -0.1383444), wk = 0.0033557 k( 173) = ( 0.1446328 0.0000000 -0.1446328), wk = 0.0033557 k( 174) = ( 0.1509212 0.0000000 -0.1509211), wk = 0.0033557 k( 175) = ( 0.1572095 0.0000000 -0.1572095), wk = 0.0033557 k( 176) = ( 0.1634979 0.0000000 -0.1634979), wk = 0.0033557 k( 177) = ( 0.1697863 0.0000000 -0.1697863), wk = 0.0033557 k( 178) = ( 0.1760747 0.0000000 -0.1760747), wk = 0.0033557 k( 179) = ( 0.1823631 0.0000000 -0.1823631), wk = 0.0033557 k( 180) = ( 0.1886514 0.0000000 -0.1886514), wk = 0.0033557 k( 181) = ( 0.1949398 0.0000000 -0.1949398), wk = 0.0033557 k( 182) = ( 0.2012282 0.0000000 -0.2012282), wk = 0.0033557 k( 183) = ( 0.2075166 0.0000000 -0.2075166), wk = 0.0033557 k( 184) = ( 0.2138050 0.0000000 -0.2138050), wk = 0.0033557 k( 185) = ( 0.2200933 0.0000000 -0.2200933), wk = 0.0033557 k( 186) = ( 0.2263817 0.0000000 -0.2263817), wk = 0.0033557 k( 187) = ( 0.2326701 0.0000000 -0.2326701), wk = 0.0033557 k( 188) = ( 0.2389585 0.0000000 -0.2389585), wk = 0.0033557 k( 189) = ( 0.2452469 0.0000000 -0.2452469), wk = 0.0033557 k( 190) = ( 0.2515352 0.0000000 -0.2515352), wk = 0.0033557 k( 191) = ( 0.2578236 0.0000000 -0.2578236), wk = 0.0033557 k( 192) = ( 0.2641120 0.0000000 -0.2641120), wk = 0.0033557 k( 193) = ( 0.2704004 0.0000000 -0.2704004), wk = 0.0033557 k( 194) = ( 0.2766888 -0.0000000 -0.2766888), wk = 0.0033557 k( 195) = ( 0.2829772 0.0000000 -0.2829772), wk = 0.0033557 k( 196) = ( 0.2892655 0.0000000 -0.2892655), wk = 0.0033557 k( 197) = ( 0.2955539 0.0000000 -0.2955539), wk = 0.0033557 k( 198) = ( 0.3018423 0.0000000 -0.3018423), wk = 0.0033557 k( 199) = ( 0.3081307 0.0000000 -0.3081307), wk = 0.0033557 k( 200) = ( 0.3144191 0.0000000 -0.3144191), wk = 0.0033557 k( 201) = ( 0.3207074 0.0000000 -0.3207074), wk = 0.0033557 k( 202) = ( 0.3269958 0.0000000 -0.3269958), wk = 0.0033557 k( 203) = ( 0.3332842 0.0000000 -0.3332842), wk = 0.0033557 k( 204) = ( 0.3395726 0.0000000 -0.3395726), wk = 0.0033557 k( 205) = ( 0.6604274 0.3395726 -0.0000000), wk = 0.0033557 k( 206) = ( 0.6542571 0.3457429 0.0000000), wk = 0.0033557 k( 207) = ( 0.6480868 0.3519132 0.0000000), wk = 0.0033557 k( 208) = ( 0.6419166 0.3580834 0.0000000), wk = 0.0033557 k( 209) = ( 0.6357463 0.3642537 0.0000000), wk = 0.0033557 k( 210) = ( 0.6295760 0.3704240 0.0000000), wk = 0.0033557 k( 211) = ( 0.6234057 0.3765943 0.0000000), wk = 0.0033557 k( 212) = ( 0.6172354 0.3827646 0.0000000), wk = 0.0033557 k( 213) = ( 0.6110651 0.3889349 0.0000000), wk = 0.0033557 k( 214) = ( 0.6048948 0.3951052 0.0000000), wk = 0.0033557 k( 215) = ( 0.5987246 0.4012754 0.0000000), wk = 0.0033557 k( 216) = ( 0.5925543 0.4074457 0.0000000), wk = 0.0033557 k( 217) = ( 0.5863840 0.4136160 0.0000000), wk = 0.0033557 k( 218) = ( 0.5802137 0.4197863 0.0000000), wk = 0.0033557 k( 219) = ( 0.5740434 0.4259566 0.0000000), wk = 0.0033557 k( 220) = ( 0.5678731 0.4321269 -0.0000000), wk = 0.0033557 k( 221) = ( 0.5617028 0.4382972 0.0000000), wk = 0.0033557 k( 222) = ( 0.5555326 0.4444674 0.0000000), wk = 0.0033557 k( 223) = ( 0.5493623 0.4506377 0.0000000), wk = 0.0033557 k( 224) = ( 0.5431920 0.4568080 0.0000000), wk = 0.0033557 k( 225) = ( 0.5370217 0.4629783 0.0000000), wk = 0.0033557 k( 226) = ( 0.5308514 0.4691486 0.0000000), wk = 0.0033557 k( 227) = ( 0.5246811 0.4753189 0.0000000), wk = 0.0033557 k( 228) = ( 0.5185109 0.4814891 0.0000000), wk = 0.0033557 k( 229) = ( 0.5123406 0.4876594 0.0000000), wk = 0.0033557 k( 230) = ( 0.5061703 0.4938297 0.0000000), wk = 0.0033557 k( 231) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557 k( 232) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557 k( 233) = ( 0.5229182 0.5229182 0.0255922), wk = 0.0033557 k( 234) = ( 0.5458364 0.5458364 0.0511843), wk = 0.0033557 k( 235) = ( 0.5687546 0.5687546 0.0767765), wk = 0.0033557 k( 236) = ( 0.5916728 0.5916728 0.1023687), wk = 0.0033557 k( 237) = ( 0.6145910 0.6145910 0.1279608), wk = 0.0033557 k( 238) = ( 0.6375092 0.6375092 0.1535530), wk = 0.0033557 k( 239) = ( 0.6604274 0.6604274 0.1791452), wk = 0.0033557 k( 240) = ( 0.6604274 0.6604274 0.1791452), wk = 0.0033557 k( 241) = ( 0.6567813 0.6567813 0.1864373), wk = 0.0033557 k( 242) = ( 0.6531353 0.6531353 0.1937295), wk = 0.0033557 k( 243) = ( 0.6494892 0.6494892 0.2010216), wk = 0.0033557 k( 244) = ( 0.6458431 0.6458431 0.2083138), wk = 0.0033557 k( 245) = ( 0.6421970 0.6421970 0.2156060), wk = 0.0033557 k( 246) = ( 0.6385509 0.6385509 0.2228981), wk = 0.0033557 k( 247) = ( 0.6349049 0.6349049 0.2301903), wk = 0.0033557 k( 248) = ( 0.6312588 0.6312588 0.2374824), wk = 0.0033557 k( 249) = ( 0.6276127 0.6276127 0.2447746), wk = 0.0033557 k( 250) = ( 0.6239666 0.6239666 0.2520667), wk = 0.0033557 k( 251) = ( 0.6203206 0.6203206 0.2593589), wk = 0.0033557 k( 252) = ( 0.6166745 0.6166745 0.2666510), wk = 0.0033557 k( 253) = ( 0.6130284 0.6130284 0.2739432), wk = 0.0033557 k( 254) = ( 0.6093823 0.6093823 0.2812353), wk = 0.0033557 k( 255) = ( 0.6057362 0.6057362 0.2885275), wk = 0.0033557 k( 256) = ( 0.6020902 0.6020902 0.2958197), wk = 0.0033557 k( 257) = ( 0.5984441 0.5984441 0.3031118), wk = 0.0033557 k( 258) = ( 0.5947980 0.5947980 0.3104040), wk = 0.0033557 k( 259) = ( 0.5911519 0.5911519 0.3176961), wk = 0.0033557 k( 260) = ( 0.5875059 0.5875059 0.3249883), wk = 0.0033557 k( 261) = ( 0.5838598 0.5838598 0.3322804), wk = 0.0033557 k( 262) = ( 0.5802137 0.5802137 0.3395726), wk = 0.0033557 k( 263) = ( 0.5765676 0.5765676 0.3468647), wk = 0.0033557 k( 264) = ( 0.5729216 0.5729216 0.3541569), wk = 0.0033557 k( 265) = ( 0.5692755 0.5692755 0.3614491), wk = 0.0033557 k( 266) = ( 0.5656294 0.5656294 0.3687412), wk = 0.0033557 k( 267) = ( 0.5619833 0.5619833 0.3760334), wk = 0.0033557 k( 268) = ( 0.5583372 0.5583372 0.3833255), wk = 0.0033557 k( 269) = ( 0.5546912 0.5546912 0.3906177), wk = 0.0033557 k( 270) = ( 0.5510451 0.5510451 0.3979098), wk = 0.0033557 k( 271) = ( 0.5473990 0.5473990 0.4052020), wk = 0.0033557 k( 272) = ( 0.5437529 0.5437529 0.4124941), wk = 0.0033557 k( 273) = ( 0.5401069 0.5401069 0.4197863), wk = 0.0033557 k( 274) = ( 0.5364608 0.5364608 0.4270784), wk = 0.0033557 k( 275) = ( 0.5328147 0.5328147 0.4343706), wk = 0.0033557 k( 276) = ( 0.5291686 0.5291686 0.4416628), wk = 0.0033557 k( 277) = ( 0.5255225 0.5255225 0.4489549), wk = 0.0033557 k( 278) = ( 0.5218765 0.5218765 0.4562471), wk = 0.0033557 k( 279) = ( 0.5182304 0.5182304 0.4635392), wk = 0.0033557 k( 280) = ( 0.5145843 0.5145843 0.4708314), wk = 0.0033557 k( 281) = ( 0.5109382 0.5109382 0.4781235), wk = 0.0033557 k( 282) = ( 0.5072922 0.5072922 0.4854157), wk = 0.0033557 k( 283) = ( 0.5036461 0.5036461 0.4927078), wk = 0.0033557 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557 k( 285) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033557 k( 286) = ( 0.5246811 0.0261210 0.0261210), wk = 0.0033557 k( 287) = ( 0.5493623 0.0522419 0.0522419), wk = 0.0033557 k( 288) = ( 0.5740434 0.0783629 0.0783629), wk = 0.0033557 k( 289) = ( 0.5987246 0.1044839 0.1044839), wk = 0.0033557 k( 290) = ( 0.6234057 0.1306048 0.1306048), wk = 0.0033557 k( 291) = ( 0.6480868 0.1567258 0.1567258), wk = 0.0033557 k( 292) = ( 0.6727680 0.1828468 0.1828468), wk = 0.0033557 k( 293) = ( 0.6974491 0.2089677 0.2089677), wk = 0.0033557 k( 294) = ( 0.7221303 0.2350887 0.2350887), wk = 0.0033557 k( 295) = ( 0.7468114 0.2612097 0.2612097), wk = 0.0033557 k( 296) = ( 0.7714926 0.2873307 0.2873307), wk = 0.0033557 k( 297) = ( 0.7961737 0.3134516 0.3134516), wk = 0.0033557 k( 298) = ( 0.8208548 0.3395726 0.3395726), wk = 0.0033557 Dense grid: 42633 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 28061 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 144, 46) NL pseudopotentials 0.11 Mb ( 72, 96) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.01 Mb ( 888) G-vector shells 0.01 Mb ( 770) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 144, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.13 Mb ( 96, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.4 secs Computing kpt #: 2 total cpu time spent up to now is 48.3 secs Computing kpt #: 3 total cpu time spent up to now is 50.3 secs Computing kpt #: 4 total cpu time spent up to now is 52.3 secs Computing kpt #: 5 total cpu time spent up to now is 54.4 secs Computing kpt #: 6 total cpu time spent up to now is 56.7 secs Computing kpt #: 7 total cpu time spent up to now is 58.8 secs Computing kpt #: 8 total cpu time spent up to now is 61.3 secs Computing kpt #: 9 total cpu time spent up to now is 64.0 secs Computing kpt #: 10 total cpu time spent up to now is 66.0 secs Computing kpt #: 11 total cpu time spent up to now is 69.6 secs Computing kpt #: 12 total cpu time spent up to now is 72.2 secs Computing kpt #: 13 total cpu time spent up to now is 74.4 secs Computing kpt #: 14 total cpu time spent up to now is 76.5 secs Computing kpt #: 15 total cpu time spent up to now is 78.7 secs Computing kpt #: 16 total cpu time spent up to now is 81.0 secs Computing kpt #: 17 total cpu time spent up to now is 83.2 secs Computing kpt #: 18 total cpu time spent up to now is 86.1 secs Computing kpt #: 19 total cpu time spent up to now is 88.5 secs Computing kpt #: 20 total cpu time spent up to now is 90.8 secs Computing kpt #: 21 total cpu time spent up to now is 93.1 secs Computing kpt #: 22 total cpu time spent up to now is 95.2 secs Computing kpt #: 23 total cpu time spent up to now is 97.5 secs Computing kpt #: 24 total cpu time spent up to now is 99.7 secs Computing kpt #: 25 total cpu time spent up to now is 101.8 secs Computing kpt #: 26 total cpu time spent up to now is 103.9 secs Computing kpt #: 27 total cpu time spent up to now is 106.0 secs Computing kpt #: 28 total cpu time spent up to now is 108.2 secs Computing kpt #: 29 total cpu time spent up to now is 112.0 secs Computing kpt #: 30 total cpu time spent up to now is 115.0 secs Computing kpt #: 31 total cpu time spent up to now is 118.9 secs Computing kpt #: 32 total cpu time spent up to now is 121.1 secs Computing kpt #: 33 total cpu time spent up to now is 123.3 secs Computing kpt #: 34 total cpu time spent up to now is 126.0 secs Computing kpt #: 35 total cpu time spent up to now is 128.5 secs Computing kpt #: 36 total cpu time spent up to now is 132.1 secs Computing kpt #: 37 total cpu time spent up to now is 135.1 secs Computing kpt #: 38 total cpu time spent up to now is 142.2 secs Computing kpt #: 39 total cpu time spent up to now is 144.8 secs Computing kpt #: 40 total cpu time spent up to now is 148.0 secs Computing kpt #: 41 total cpu time spent up to now is 150.4 secs Computing kpt #: 42 total cpu time spent up to now is 153.3 secs Computing kpt #: 43 total cpu time spent up to now is 156.3 secs Computing kpt #: 44 total cpu time spent up to now is 159.1 secs Computing kpt #: 45 total cpu time spent up to now is 161.0 secs Computing kpt #: 46 total cpu time spent up to now is 163.0 secs Computing kpt #: 47 total cpu time spent up to now is 165.4 secs Computing kpt #: 48 total cpu time spent up to now is 167.3 secs Computing kpt #: 49 total cpu time spent up to now is 169.7 secs Computing kpt #: 50 total cpu time spent up to now is 171.9 secs Computing kpt #: 51 total cpu time spent up to now is 174.0 secs Computing kpt #: 52 total cpu time spent up to now is 176.0 secs Computing kpt #: 53 total cpu time spent up to now is 178.1 secs Computing kpt #: 54 total cpu time spent up to now is 180.3 secs Computing kpt #: 55 total cpu time spent up to now is 182.3 secs Computing kpt #: 56 total cpu time spent up to now is 184.8 secs Computing kpt #: 57 total cpu time spent up to now is 187.5 secs Computing kpt #: 58 total cpu time spent up to now is 189.6 secs Computing kpt #: 59 total cpu time spent up to now is 191.6 secs Computing kpt #: 60 total cpu time spent up to now is 194.1 secs Computing kpt #: 61 total cpu time spent up to now is 196.4 secs Computing kpt #: 62 total cpu time spent up to now is 198.4 secs Computing kpt #: 63 total cpu time spent up to now is 200.4 secs Computing kpt #: 64 total cpu time spent up to now is 202.5 secs Computing kpt #: 65 total cpu time spent up to now is 204.6 secs Computing kpt #: 66 total cpu time spent up to now is 206.6 secs Computing kpt #: 67 total cpu time spent up to now is 209.4 secs Computing kpt #: 68 total cpu time spent up to now is 211.4 secs Computing kpt #: 69 total cpu time spent up to now is 213.3 secs Computing kpt #: 70 total cpu time spent up to now is 215.2 secs Computing kpt #: 71 total cpu time spent up to now is 217.1 secs Computing kpt #: 72 total cpu time spent up to now is 219.0 secs Computing kpt #: 73 total cpu time spent up to now is 221.6 secs Computing kpt #: 74 total cpu time spent up to now is 225.7 secs Computing kpt #: 75 total cpu time spent up to now is 228.5 secs Computing kpt #: 76 total cpu time spent up to now is 230.3 secs Computing kpt #: 77 total cpu time spent up to now is 232.0 secs Computing kpt #: 78 total cpu time spent up to now is 234.0 secs Computing kpt #: 79 total cpu time spent up to now is 237.3 secs Computing kpt #: 80 total cpu time spent up to now is 239.6 secs Computing kpt #: 81 total cpu time spent up to now is 241.5 secs Computing kpt #: 82 total cpu time spent up to now is 243.4 secs Computing kpt #: 83 total cpu time spent up to now is 245.4 secs Computing kpt #: 84 total cpu time spent up to now is 247.4 secs Computing kpt #: 85 total cpu time spent up to now is 249.6 secs Computing kpt #: 86 total cpu time spent up to now is 252.0 secs Computing kpt #: 87 total cpu time spent up to now is 254.7 secs Computing kpt #: 88 total cpu time spent up to now is 256.8 secs Computing kpt #: 89 total cpu time spent up to now is 259.0 secs Computing kpt #: 90 total cpu time spent up to now is 261.6 secs Computing kpt #: 91 total cpu time spent up to now is 263.7 secs Computing kpt #: 92 total cpu time spent up to now is 265.9 secs Computing kpt #: 93 total cpu time spent up to now is 268.7 secs Computing kpt #: 94 total cpu time spent up to now is 270.9 secs Computing kpt #: 95 total cpu time spent up to now is 273.1 secs Computing kpt #: 96 total cpu time spent up to now is 275.3 secs Computing kpt #: 97 total cpu time spent up to now is 277.8 secs Computing kpt #: 98 total cpu time spent up to now is 280.3 secs Computing kpt #: 99 total cpu time spent up to now is 283.0 secs Computing kpt #: 100 total cpu time spent up to now is 285.2 secs Computing kpt #: 101 total cpu time spent up to now is 287.3 secs Computing kpt #: 102 total cpu time spent up to now is 289.4 secs Computing kpt #: 103 total cpu time spent up to now is 291.4 secs Computing kpt #: 104 total cpu time spent up to now is 293.5 secs Computing kpt #: 105 total cpu time spent up to now is 295.5 secs Computing kpt #: 106 total cpu time spent up to now is 297.6 secs Computing kpt #: 107 total cpu time spent up to now is 299.6 secs Computing kpt #: 108 total cpu time spent up to now is 301.7 secs Computing kpt #: 109 total cpu time spent up to now is 304.3 secs Computing kpt #: 110 total cpu time spent up to now is 306.6 secs Computing kpt #: 111 total cpu time spent up to now is 308.6 secs Computing kpt #: 112 total cpu time spent up to now is 310.6 secs Computing kpt #: 113 total cpu time spent up to now is 313.5 secs Computing kpt #: 114 total cpu time spent up to now is 315.9 secs Computing kpt #: 115 total cpu time spent up to now is 317.9 secs Computing kpt #: 116 total cpu time spent up to now is 320.0 secs Computing kpt #: 117 total cpu time spent up to now is 322.2 secs Computing kpt #: 118 total cpu time spent up to now is 324.8 secs Computing kpt #: 119 total cpu time spent up to now is 327.4 secs Computing kpt #: 120 total cpu time spent up to now is 329.4 secs Computing kpt #: 121 total cpu time spent up to now is 331.4 secs Computing kpt #: 122 total cpu time spent up to now is 333.4 secs Computing kpt #: 123 total cpu time spent up to now is 335.4 secs Computing kpt #: 124 total cpu time spent up to now is 337.5 secs Computing kpt #: 125 total cpu time spent up to now is 339.4 secs Computing kpt #: 126 total cpu time spent up to now is 341.9 secs Computing kpt #: 127 total cpu time spent up to now is 344.3 secs Computing kpt #: 128 total cpu time spent up to now is 346.0 secs Computing kpt #: 129 total cpu time spent up to now is 348.3 secs Computing kpt #: 130 total cpu time spent up to now is 350.2 secs Computing kpt #: 131 total cpu time spent up to now is 351.9 secs Computing kpt #: 132 total cpu time spent up to now is 353.6 secs Computing kpt #: 133 total cpu time spent up to now is 355.5 secs Computing kpt #: 134 total cpu time spent up to now is 357.5 secs Computing kpt #: 135 total cpu time spent up to now is 359.4 secs Computing kpt #: 136 total cpu time spent up to now is 361.4 secs Computing kpt #: 137 total cpu time spent up to now is 363.5 secs Computing kpt #: 138 total cpu time spent up to now is 366.6 secs Computing kpt #: 139 total cpu time spent up to now is 368.9 secs Computing kpt #: 140 total cpu time spent up to now is 371.3 secs Computing kpt #: 141 total cpu time spent up to now is 374.0 secs Computing kpt #: 142 total cpu time spent up to now is 376.1 secs Computing kpt #: 143 total cpu time spent up to now is 378.2 secs Computing kpt #: 144 total cpu time spent up to now is 380.1 secs Computing kpt #: 145 total cpu time spent up to now is 382.1 secs Computing kpt #: 146 total cpu time spent up to now is 384.0 secs Computing kpt #: 147 total cpu time spent up to now is 386.3 secs Computing kpt #: 148 total cpu time spent up to now is 388.2 secs Computing kpt #: 149 total cpu time spent up to now is 390.6 secs Computing kpt #: 150 total cpu time spent up to now is 393.6 secs Computing kpt #: 151 total cpu time spent up to now is 395.5 secs Computing kpt #: 152 total cpu time spent up to now is 397.8 secs Computing kpt #: 153 total cpu time spent up to now is 399.8 secs Computing kpt #: 154 total cpu time spent up to now is 401.8 secs Computing kpt #: 155 total cpu time spent up to now is 404.1 secs Computing kpt #: 156 total cpu time spent up to now is 406.4 secs Computing kpt #: 157 total cpu time spent up to now is 408.7 secs Computing kpt #: 158 total cpu time spent up to now is 410.8 secs Computing kpt #: 159 total cpu time spent up to now is 412.8 secs Computing kpt #: 160 total cpu time spent up to now is 414.8 secs Computing kpt #: 161 total cpu time spent up to now is 417.0 secs Computing kpt #: 162 total cpu time spent up to now is 419.0 secs Computing kpt #: 163 total cpu time spent up to now is 421.2 secs Computing kpt #: 164 total cpu time spent up to now is 423.5 secs Computing kpt #: 165 total cpu time spent up to now is 426.1 secs Computing kpt #: 166 total cpu time spent up to now is 428.2 secs Computing kpt #: 167 total cpu time spent up to now is 432.4 secs Computing kpt #: 168 total cpu time spent up to now is 434.8 secs Computing kpt #: 169 total cpu time spent up to now is 436.9 secs Computing kpt #: 170 total cpu time spent up to now is 439.5 secs Computing kpt #: 171 total cpu time spent up to now is 441.5 secs Computing kpt #: 172 total cpu time spent up to now is 443.5 secs Computing kpt #: 173 total cpu time spent up to now is 445.9 secs Computing kpt #: 174 total cpu time spent up to now is 448.2 secs Computing kpt #: 175 total cpu time spent up to now is 450.3 secs Computing kpt #: 176 total cpu time spent up to now is 452.8 secs Computing kpt #: 177 total cpu time spent up to now is 455.7 secs Computing kpt #: 178 total cpu time spent up to now is 457.8 secs Computing kpt #: 179 total cpu time spent up to now is 459.9 secs Computing kpt #: 180 total cpu time spent up to now is 462.2 secs Computing kpt #: 181 total cpu time spent up to now is 464.6 secs Computing kpt #: 182 total cpu time spent up to now is 467.4 secs Computing kpt #: 183 total cpu time spent up to now is 470.0 secs Computing kpt #: 184 total cpu time spent up to now is 472.0 secs Computing kpt #: 185 total cpu time spent up to now is 474.0 secs Computing kpt #: 186 total cpu time spent up to now is 476.4 secs Computing kpt #: 187 total cpu time spent up to now is 478.5 secs Computing kpt #: 188 total cpu time spent up to now is 480.5 secs Computing kpt #: 189 total cpu time spent up to now is 482.6 secs Computing kpt #: 190 total cpu time spent up to now is 485.0 secs Computing kpt #: 191 total cpu time spent up to now is 487.0 secs Computing kpt #: 192 total cpu time spent up to now is 488.9 secs Computing kpt #: 193 total cpu time spent up to now is 491.1 secs Computing kpt #: 194 total cpu time spent up to now is 493.3 secs Computing kpt #: 195 total cpu time spent up to now is 495.7 secs Computing kpt #: 196 total cpu time spent up to now is 498.3 secs Computing kpt #: 197 total cpu time spent up to now is 500.2 secs Computing kpt #: 198 total cpu time spent up to now is 502.1 secs Computing kpt #: 199 total cpu time spent up to now is 504.0 secs Computing kpt #: 200 total cpu time spent up to now is 505.8 secs Computing kpt #: 201 total cpu time spent up to now is 508.0 secs Computing kpt #: 202 total cpu time spent up to now is 509.9 secs Computing kpt #: 203 total cpu time spent up to now is 512.1 secs Computing kpt #: 204 total cpu time spent up to now is 514.2 secs Computing kpt #: 205 total cpu time spent up to now is 516.1 secs Computing kpt #: 206 total cpu time spent up to now is 519.0 secs Computing kpt #: 207 total cpu time spent up to now is 520.9 secs Computing kpt #: 208 total cpu time spent up to now is 522.8 secs Computing kpt #: 209 total cpu time spent up to now is 524.7 secs Computing kpt #: 210 total cpu time spent up to now is 527.0 secs Computing kpt #: 211 total cpu time spent up to now is 529.4 secs Computing kpt #: 212 total cpu time spent up to now is 532.4 secs Computing kpt #: 213 total cpu time spent up to now is 535.3 secs Computing kpt #: 214 total cpu time spent up to now is 537.6 secs Computing kpt #: 215 total cpu time spent up to now is 539.7 secs Computing kpt #: 216 total cpu time spent up to now is 541.6 secs Computing kpt #: 217 total cpu time spent up to now is 543.6 secs Computing kpt #: 218 total cpu time spent up to now is 545.5 secs Computing kpt #: 219 total cpu time spent up to now is 547.5 secs Computing kpt #: 220 total cpu time spent up to now is 550.1 secs Computing kpt #: 221 total cpu time spent up to now is 552.2 secs Computing kpt #: 222 total cpu time spent up to now is 554.2 secs Computing kpt #: 223 total cpu time spent up to now is 556.2 secs Computing kpt #: 224 total cpu time spent up to now is 559.1 secs Computing kpt #: 225 total cpu time spent up to now is 561.9 secs Computing kpt #: 226 total cpu time spent up to now is 563.9 secs Computing kpt #: 227 total cpu time spent up to now is 565.8 secs Computing kpt #: 228 total cpu time spent up to now is 567.8 secs Computing kpt #: 229 total cpu time spent up to now is 569.8 secs Computing kpt #: 230 total cpu time spent up to now is 571.7 secs Computing kpt #: 231 total cpu time spent up to now is 574.5 secs Computing kpt #: 232 total cpu time spent up to now is 576.6 secs Computing kpt #: 233 total cpu time spent up to now is 579.2 secs Computing kpt #: 234 total cpu time spent up to now is 581.1 secs Computing kpt #: 235 total cpu time spent up to now is 583.1 secs Computing kpt #: 236 total cpu time spent up to now is 585.1 secs Computing kpt #: 237 total cpu time spent up to now is 587.7 secs Computing kpt #: 238 total cpu time spent up to now is 590.3 secs Computing kpt #: 239 total cpu time spent up to now is 592.4 secs Computing kpt #: 240 total cpu time spent up to now is 594.5 secs Computing kpt #: 241 total cpu time spent up to now is 597.5 secs Computing kpt #: 242 total cpu time spent up to now is 599.9 secs Computing kpt #: 243 total cpu time spent up to now is 602.2 secs Computing kpt #: 244 total cpu time spent up to now is 604.2 secs Computing kpt #: 245 total cpu time spent up to now is 606.2 secs Computing kpt #: 246 total cpu time spent up to now is 608.3 secs Computing kpt #: 247 total cpu time spent up to now is 610.4 secs Computing kpt #: 248 total cpu time spent up to now is 612.5 secs Computing kpt #: 249 total cpu time spent up to now is 615.2 secs Computing kpt #: 250 total cpu time spent up to now is 617.5 secs Computing kpt #: 251 total cpu time spent up to now is 620.3 secs Computing kpt #: 252 total cpu time spent up to now is 622.4 secs Computing kpt #: 253 total cpu time spent up to now is 624.8 secs Computing kpt #: 254 total cpu time spent up to now is 627.3 secs Computing kpt #: 255 total cpu time spent up to now is 629.3 secs Computing kpt #: 256 total cpu time spent up to now is 631.4 secs Computing kpt #: 257 total cpu time spent up to now is 633.5 secs Computing kpt #: 258 total cpu time spent up to now is 635.6 secs Computing kpt #: 259 total cpu time spent up to now is 638.4 secs Computing kpt #: 260 total cpu time spent up to now is 640.9 secs Computing kpt #: 261 total cpu time spent up to now is 643.0 secs Computing kpt #: 262 total cpu time spent up to now is 645.0 secs Computing kpt #: 263 total cpu time spent up to now is 647.3 secs Computing kpt #: 264 total cpu time spent up to now is 649.4 secs Computing kpt #: 265 total cpu time spent up to now is 651.5 secs Computing kpt #: 266 total cpu time spent up to now is 655.9 secs Computing kpt #: 267 total cpu time spent up to now is 658.0 secs Computing kpt #: 268 total cpu time spent up to now is 660.0 secs Computing kpt #: 269 total cpu time spent up to now is 662.0 secs Computing kpt #: 270 total cpu time spent up to now is 664.0 secs Computing kpt #: 271 total cpu time spent up to now is 666.5 secs Computing kpt #: 272 total cpu time spent up to now is 668.9 secs Computing kpt #: 273 total cpu time spent up to now is 671.2 secs Computing kpt #: 274 total cpu time spent up to now is 673.3 secs Computing kpt #: 275 total cpu time spent up to now is 675.4 secs Computing kpt #: 276 total cpu time spent up to now is 677.4 secs Computing kpt #: 277 total cpu time spent up to now is 679.3 secs Computing kpt #: 278 total cpu time spent up to now is 681.2 secs Computing kpt #: 279 total cpu time spent up to now is 683.2 secs Computing kpt #: 280 total cpu time spent up to now is 685.1 secs Computing kpt #: 281 total cpu time spent up to now is 687.9 secs Computing kpt #: 282 total cpu time spent up to now is 690.0 secs Computing kpt #: 283 total cpu time spent up to now is 692.0 secs Computing kpt #: 284 total cpu time spent up to now is 694.0 secs Computing kpt #: 285 total cpu time spent up to now is 696.4 secs Computing kpt #: 286 total cpu time spent up to now is 698.3 secs Computing kpt #: 287 total cpu time spent up to now is 700.3 secs Computing kpt #: 288 total cpu time spent up to now is 702.4 secs Computing kpt #: 289 total cpu time spent up to now is 704.7 secs Computing kpt #: 290 total cpu time spent up to now is 707.0 secs Computing kpt #: 291 total cpu time spent up to now is 709.5 secs Computing kpt #: 292 total cpu time spent up to now is 711.5 secs Computing kpt #: 293 total cpu time spent up to now is 713.7 secs Computing kpt #: 294 total cpu time spent up to now is 716.0 secs Computing kpt #: 295 total cpu time spent up to now is 719.2 secs Computing kpt #: 296 total cpu time spent up to now is 721.2 secs Computing kpt #: 297 total cpu time spent up to now is 723.6 secs Computing kpt #: 298 total cpu time spent up to now is 726.3 secs ethr = 2.63E-11, avg # of iterations = 24.6 total cpu time spent up to now is 726.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8988 -7.8988 -7.8607 -7.8607 -7.8600 -7.8600 -7.8008 -7.8008 -7.7387 -7.7387 -7.6884 -7.6884 -7.1951 -7.1951 -6.7888 -6.7888 0.0618 0.0618 2.9052 2.9052 4.7073 4.7073 4.9955 4.9955 5.0501 5.0501 5.1957 5.1957 5.2929 5.2929 8.0640 8.0640 8.4486 8.4486 10.5551 10.5551 10.9356 10.9356 k = 0.0109-0.0219-0.0131 ( 3517 PWs) bands (ev): -8.7240 -8.7238 -8.6819 -8.6819 -8.6673 -8.6673 -8.6330 -8.6328 -7.9001 -7.8991 -7.8615 -7.8613 -7.8596 -7.8591 -7.8009 -7.8008 -7.7386 -7.7386 -7.6883 -7.6883 -7.1937 -7.1935 -6.7877 -6.7876 0.0627 0.0627 2.9033 2.9033 4.7027 4.7030 4.9851 4.9895 5.0505 5.0548 5.1929 5.1930 5.2914 5.2915 8.0668 8.0691 8.4559 8.4573 10.5500 10.5540 10.9314 10.9316 k = 0.0217-0.0437-0.0262 ( 3518 PWs) bands (ev): -8.7245 -8.7240 -8.6820 -8.6820 -8.6676 -8.6676 -8.6330 -8.6327 -7.9028 -7.9010 -7.8627 -7.8622 -7.8590 -7.8582 -7.8008 -7.8007 -7.7384 -7.7383 -7.6879 -7.6879 -7.1892 -7.1888 -6.7842 -6.7839 0.0655 0.0655 2.8975 2.8975 4.6890 4.6896 4.9634 4.9698 5.0536 5.0596 5.1849 5.1853 5.2875 5.2878 8.0775 8.0819 8.4790 8.4817 10.5381 10.5463 10.9198 10.9206 k = 0.0326-0.0656-0.0393 ( 3516 PWs) bands (ev): -8.7251 -8.7244 -8.6823 -8.6823 -8.6680 -8.6680 -8.6330 -8.6326 -7.9068 -7.9043 -7.8639 -7.8632 -7.8587 -7.8576 -7.8007 -7.8006 -7.7380 -7.7379 -7.6873 -7.6872 -7.1818 -7.1811 -6.7783 -6.7779 0.0700 0.0700 2.8877 2.8877 4.6653 4.6663 4.9349 4.9420 5.0544 5.0604 5.1725 5.1738 5.2819 5.2823 8.0955 8.1019 8.5170 8.5208 10.5178 10.5301 10.9033 10.9055 k = 0.0435-0.0875-0.0524 ( 3512 PWs) bands (ev): -8.7260 -8.7251 -8.6827 -8.6826 -8.6686 -8.6686 -8.6331 -8.6325 -7.9120 -7.9089 -7.8652 -7.8644 -7.8586 -7.8573 -7.8005 -7.8004 -7.7376 -7.7376 -7.6863 -7.6863 -7.1715 -7.1706 -6.7700 -6.7695 0.0764 0.0764 2.8739 2.8740 4.6305 4.6319 4.9017 4.9093 5.0504 5.0553 5.1570 5.1597 5.2756 5.2761 8.1203 8.1282 8.5687 8.5732 10.4872 10.5033 10.8861 10.8902 k = 0.0543-0.1094-0.0655 ( 3514 PWs) bands (ev): -8.7272 -8.7260 -8.6832 -8.6830 -8.6694 -8.6694 -8.6331 -8.6324 -7.9179 -7.9144 -7.8667 -7.8657 -7.8587 -7.8572 -7.8003 -7.8001 -7.7372 -7.7372 -7.6851 -7.6851 -7.1584 -7.1572 -6.7595 -6.7589 0.0844 0.0845 2.8560 2.8562 4.5838 4.5855 4.8656 4.8734 5.0406 5.0436 5.1396 5.1442 5.2699 5.2704 8.1508 8.1599 8.6321 8.6369 10.4448 10.4639 10.8720 10.8781 k = 0.0652-0.1312-0.0786 ( 3512 PWs) bands (ev): -8.7285 -8.7271 -8.6838 -8.6834 -8.6703 -8.6703 -8.6331 -8.6324 -7.9246 -7.9207 -7.8685 -7.8673 -7.8589 -7.8573 -7.7999 -7.7998 -7.7369 -7.7369 -7.6837 -7.6837 -7.1426 -7.1412 -6.7467 -6.7460 0.0942 0.0942 2.8340 2.8342 4.5248 4.5268 4.8277 4.8356 5.0246 5.0254 5.1212 5.1279 5.2659 5.2664 8.1858 8.1958 8.7051 8.7099 10.3906 10.4118 10.8639 10.8714 k = 0.0761-0.1531-0.0916 ( 3514 PWs) bands (ev): -8.7302 -8.7285 -8.6846 -8.6839 -8.6713 -8.6712 -8.6332 -8.6324 -7.9316 -7.9275 -7.8707 -7.8693 -7.8591 -7.8575 -7.7995 -7.7994 -7.7368 -7.7366 -7.6820 -7.6820 -7.1242 -7.1225 -6.7318 -6.7310 0.1056 0.1057 2.8077 2.8079 4.4542 4.4564 4.7887 4.7965 5.0020 5.0033 5.1019 5.1102 5.2647 5.2648 8.2240 8.2346 8.7852 8.7896 10.3266 10.3488 10.8624 10.8707 k = 0.0870-0.1750-0.1047 ( 3504 PWs) bands (ev): -8.7320 -8.7300 -8.6854 -8.6844 -8.6725 -8.6723 -8.6333 -8.6325 -7.9390 -7.9348 -7.8734 -7.8718 -7.8593 -7.8578 -7.7990 -7.7989 -7.7367 -7.7364 -7.6801 -7.6801 -7.1034 -7.1015 -6.7149 -6.7139 0.1186 0.1186 2.7770 2.7773 4.3735 4.3758 4.7487 4.7563 4.9747 4.9777 5.0812 5.0906 5.2659 5.2663 8.2640 8.2749 8.8694 8.8731 10.2560 10.2787 10.8667 10.8756 k = 0.0978-0.1969-0.1178 ( 3502 PWs) bands (ev): -8.7341 -8.7319 -8.6863 -8.6850 -8.6738 -8.6735 -8.6334 -8.6327 -7.9465 -7.9422 -7.8764 -7.8746 -7.8595 -7.8580 -7.7984 -7.7984 -7.7368 -7.7363 -7.6781 -7.6780 -7.0803 -7.0782 -6.6959 -6.6948 0.1330 0.1330 2.7419 2.7423 4.2843 4.2867 4.7078 4.7152 4.9448 4.9492 5.0587 5.0688 5.2698 5.2708 8.3046 8.3155 8.9543 8.9566 10.1829 10.2061 10.8756 10.8849 k = 0.1087-0.2187-0.1309 ( 3502 PWs) bands (ev): -8.7364 -8.7339 -8.6873 -8.6855 -8.6752 -8.6747 -8.6336 -8.6328 -7.9540 -7.9497 -7.8798 -7.8778 -7.8597 -7.8583 -7.7979 -7.7978 -7.7369 -7.7363 -7.6759 -7.6758 -7.0551 -7.0527 -6.6751 -6.6738 0.1487 0.1488 2.7023 2.7028 4.1882 4.1907 4.6664 4.6736 4.9132 4.9186 5.0344 5.0448 5.2760 5.2777 8.3444 8.3550 9.0350 9.0354 10.1127 10.1365 10.8877 10.8977 k = 0.1196-0.2406-0.1440 ( 3498 PWs) bands (ev): -8.7389 -8.7362 -8.6884 -8.6862 -8.6768 -8.6760 -8.6337 -8.6331 -7.9615 -7.9572 -7.8834 -7.8814 -7.8598 -7.8584 -7.7972 -7.7972 -7.7371 -7.7364 -7.6737 -7.6735 -7.0278 -7.0252 -6.6525 -6.6511 0.1656 0.1657 2.6581 2.6589 4.0869 4.0894 4.6250 4.6320 4.8803 4.8865 5.0082 5.0187 5.2843 5.2866 8.3823 8.3923 9.1029 9.1051 10.0520 10.0770 10.9016 10.9129 k = 0.1304-0.2625-0.1571 ( 3498 PWs) bands (ev): -8.7417 -8.7387 -8.6896 -8.6869 -8.6784 -8.6773 -8.6340 -8.6334 -7.9688 -7.9646 -7.8873 -7.8853 -7.8598 -7.8586 -7.7966 -7.7965 -7.7373 -7.7365 -7.6713 -7.6712 -6.9987 -6.9959 -6.6282 -6.6266 0.1836 0.1837 2.6096 2.6105 3.9818 3.9844 4.5840 4.5908 4.8465 4.8533 4.9802 4.9908 5.2940 5.2969 8.4171 8.4264 9.1507 9.1560 10.0095 10.0361 10.9155 10.9294 k = 0.1413-0.2843-0.1702 ( 3498 PWs) bands (ev): -8.7446 -8.7414 -8.6911 -8.6877 -8.6800 -8.6786 -8.6342 -8.6337 -7.9759 -7.9717 -7.8914 -7.8893 -7.8599 -7.8587 -7.7959 -7.7958 -7.7375 -7.7367 -7.6690 -7.6688 -6.9679 -6.9649 -6.6023 -6.6006 0.2024 0.2026 2.5567 2.5578 3.8740 3.8767 4.5440 4.5508 4.8120 4.8193 4.9507 4.9612 5.3047 5.3082 8.4481 8.4563 9.1706 9.1788 9.9937 10.0219 10.9258 10.9451 k = 0.1522-0.3062-0.1833 ( 3493 PWs) bands (ev): -8.7476 -8.7442 -8.6928 -8.6889 -8.6815 -8.6799 -8.6344 -8.6340 -7.9827 -7.9787 -7.8956 -7.8935 -7.8599 -7.8588 -7.7951 -7.7951 -7.7377 -7.7369 -7.6666 -7.6663 -6.9354 -6.9323 -6.5750 -6.5731 0.2218 0.2221 2.4997 2.5011 3.7647 3.7676 4.5057 4.5123 4.7769 4.7847 4.9198 4.9304 5.3160 5.3201 8.4744 8.4814 9.1583 9.1687 10.0091 10.0382 10.9230 10.9522 k = 0.1630-0.3281-0.1964 ( 3498 PWs) bands (ev): -8.7508 -8.7473 -8.6948 -8.6905 -8.6827 -8.6810 -8.6347 -8.6343 -7.9892 -7.9853 -7.8999 -7.8978 -7.8599 -7.8589 -7.7944 -7.7944 -7.7379 -7.7370 -7.6642 -7.6639 -6.9015 -6.8982 -6.5463 -6.5443 0.2417 0.2420 2.4388 2.4405 3.6550 3.6580 4.4692 4.4758 4.7412 4.7495 4.8878 4.8983 5.3274 5.3320 8.4957 8.5012 9.1170 9.1288 10.0522 10.0811 10.8920 10.9203 k = 0.1739-0.3500-0.2095 ( 3505 PWs) bands (ev): -8.7541 -8.7504 -8.6971 -8.6926 -8.6837 -8.6820 -8.6349 -8.6346 -7.9954 -7.9916 -7.9041 -7.9022 -7.8600 -7.8590 -7.7936 -7.7936 -7.7381 -7.7372 -7.6618 -7.6615 -6.8663 -6.8627 -6.5164 -6.5142 0.2616 0.2620 2.3744 2.3764 3.5456 3.5488 4.4351 4.4416 4.7053 4.7139 4.8548 4.8654 5.3383 5.3434 8.5114 8.5152 9.0544 9.0670 10.1139 10.1422 10.8391 10.8601 k = 0.1848-0.3718-0.2226 ( 3504 PWs) bands (ev): -8.7575 -8.7537 -8.6997 -8.6952 -8.6843 -8.6828 -8.6351 -8.6349 -8.0012 -7.9976 -7.9084 -7.9066 -7.8600 -7.8591 -7.7928 -7.7928 -7.7382 -7.7373 -7.6594 -7.6591 -6.8298 -6.8261 -6.4854 -6.4831 0.2813 0.2817 2.3068 2.3091 3.4375 3.4408 4.4035 4.4099 4.6691 4.6781 4.8211 4.8317 5.3484 5.3540 8.5213 8.5233 8.9785 8.9916 10.1852 10.2123 10.7801 10.7966 k = 0.1957-0.3937-0.2357 ( 3503 PWs) bands (ev): -8.7609 -8.7570 -8.7027 -8.6982 -8.6847 -8.6834 -8.6352 -8.6352 -8.0067 -8.0032 -7.9126 -7.9109 -7.8600 -7.8592 -7.7920 -7.7919 -7.7383 -7.7374 -7.6570 -7.6567 -6.7921 -6.7883 -6.4534 -6.4509 0.3004 0.3009 2.2366 2.2393 3.3315 3.3350 4.3744 4.3808 4.6328 4.6422 4.7868 4.7975 5.3570 5.3632 8.5250 8.5251 8.8955 8.9092 10.2585 10.2838 10.7217 10.7350 k = 0.2065-0.4156-0.2488 ( 3499 PWs) bands (ev): -8.7644 -8.7604 -8.7059 -8.7016 -8.6849 -8.6839 -8.6354 -8.6354 -8.0118 -8.0085 -7.9168 -7.9152 -7.8600 -7.8592 -7.7912 -7.7911 -7.7384 -7.7374 -7.6546 -7.6543 -6.7535 -6.7496 -6.4205 -6.4178 0.3184 0.3191 2.1641 2.1672 3.2285 3.2322 4.3479 4.3542 4.5966 4.6064 4.7522 4.7629 5.3638 5.3705 8.5202 8.5219 8.8106 8.8245 10.3277 10.3496 10.6680 10.6772 k = 0.2174-0.4374-0.2618 ( 3496 PWs) bands (ev): -8.7679 -8.7639 -8.7094 -8.7052 -8.6851 -8.6843 -8.6356 -8.6355 -8.0165 -8.0134 -7.9208 -7.9194 -7.8601 -7.8593 -7.7903 -7.7902 -7.7384 -7.7375 -7.6523 -7.6520 -6.7140 -6.7100 -6.3869 -6.3841 0.3350 0.3358 2.0898 2.0933 3.1292 3.1331 4.3239 4.3300 4.5605 4.5708 4.7174 4.7283 5.3682 5.3755 8.5075 8.5102 8.7283 8.7418 10.3868 10.4009 10.6251 10.6263 k = 0.2283-0.4593-0.2749 ( 3494 PWs) bands (ev): -8.7715 -8.7673 -8.7132 -8.7091 -8.6852 -8.6846 -8.6358 -8.6356 -8.0208 -8.0180 -7.9247 -7.9234 -7.8601 -7.8594 -7.7894 -7.7892 -7.7384 -7.7375 -7.6500 -7.6497 -6.6738 -6.6696 -6.3526 -6.3497 0.3496 0.3505 2.0143 2.0182 3.0346 3.0387 4.3022 4.3082 4.5248 4.5355 4.6826 4.6937 5.3697 5.3776 8.4842 8.4860 8.6552 8.6663 10.4240 10.4257 10.5898 10.6044 k = 0.2391-0.4812-0.2880 ( 3488 PWs) bands (ev): -8.7749 -8.7708 -8.7171 -8.7131 -8.6852 -8.6848 -8.6359 -8.6357 -8.0248 -8.0222 -7.9284 -7.9274 -7.8602 -7.8596 -7.7885 -7.7883 -7.7383 -7.7374 -7.6477 -7.6474 -6.6330 -6.6287 -6.3179 -6.3148 0.3617 0.3628 1.9380 1.9423 2.9455 2.9497 4.2826 4.2884 4.4894 4.5008 4.6481 4.6593 5.3679 5.3763 8.4432 8.4457 8.5991 8.6046 10.4111 10.4297 10.5810 10.6121 k = 0.2500-0.5031-0.3011 ( 3494 PWs) bands (ev): -8.7784 -8.7742 -8.7213 -8.7173 -8.6851 -8.6850 -8.6360 -8.6357 -8.0285 -8.0260 -7.9321 -7.9311 -7.8603 -7.8597 -7.7876 -7.7873 -7.7382 -7.7373 -7.6455 -7.6452 -6.5916 -6.5872 -6.2828 -6.2796 0.3706 0.3719 1.8613 1.8660 2.8628 2.8672 4.2648 4.2705 4.4547 4.4666 4.6141 4.6254 5.3623 5.3713 8.3822 8.3903 8.5598 8.5615 10.3771 10.4028 10.5952 10.6327 k = 0.2609-0.5249-0.3142 ( 3495 PWs) bands (ev): -8.7818 -8.7776 -8.7255 -8.7216 -8.6851 -8.6851 -8.6361 -8.6358 -8.0319 -8.0296 -7.9355 -7.9347 -7.8604 -7.8598 -7.7866 -7.7864 -7.7381 -7.7372 -7.6433 -7.6430 -6.5499 -6.5455 -6.2476 -6.2442 0.3760 0.3775 1.7846 1.7897 2.7875 2.7919 4.2487 4.2540 4.4207 4.4333 4.5807 4.5921 5.3525 5.3622 8.3120 8.3244 8.5273 8.5346 10.3362 10.3644 10.6127 10.6519 k = 0.2717-0.5468-0.3273 ( 3495 PWs) bands (ev): -8.7851 -8.7810 -8.7298 -8.7260 -8.6851 -8.6850 -8.6361 -8.6358 -8.0350 -8.0329 -7.9387 -7.9381 -7.8605 -7.8600 -7.7857 -7.7854 -7.7379 -7.7371 -7.6412 -7.6409 -6.5081 -6.5035 -6.2123 -6.2088 0.3772 0.3789 1.7083 1.7137 2.7203 2.7248 4.2339 4.2388 4.3875 4.4009 4.5482 4.5596 5.3382 5.3485 8.2399 8.2551 8.5009 8.5123 10.2942 10.3239 10.6248 10.6643 k = 0.2826-0.5687-0.3404 ( 3491 PWs) bands (ev): -8.7883 -8.7842 -8.7342 -8.7304 -8.6851 -8.6849 -8.6362 -8.6358 -8.0378 -8.0359 -7.9418 -7.9413 -7.8606 -7.8601 -7.7847 -7.7844 -7.7377 -7.7370 -7.6391 -7.6388 -6.4661 -6.4615 -6.1771 -6.1735 0.3740 0.3759 1.6327 1.6383 2.6621 2.6665 4.2200 4.2244 4.3553 4.3695 4.5167 4.5282 5.3193 5.3302 8.1696 8.1868 8.4774 8.4920 10.2534 10.2843 10.6295 10.6689 k = 0.2935-0.5906-0.3535 ( 3495 PWs) bands (ev): -8.7915 -8.7874 -8.7386 -8.7349 -8.6850 -8.6848 -8.6362 -8.6358 -8.0403 -8.0386 -7.9447 -7.9444 -7.8607 -7.8603 -7.7837 -7.7834 -7.7375 -7.7368 -7.6371 -7.6368 -6.4243 -6.4197 -6.1422 -6.1385 0.3660 0.3681 1.5580 1.5637 2.6134 2.6178 4.2068 4.2104 4.3243 4.3394 4.4865 4.4978 5.2956 5.3070 8.1028 8.1213 8.4557 8.4729 10.2146 10.2469 10.6270 10.6661 k = 0.3043-0.6124-0.3666 ( 3494 PWs) bands (ev): -8.7945 -8.7905 -8.7430 -8.7394 -8.6850 -8.6847 -8.6362 -8.6357 -8.0426 -8.0411 -7.9474 -7.9472 -7.8609 -7.8605 -7.7827 -7.7824 -7.7372 -7.7366 -7.6352 -7.6349 -6.3827 -6.3780 -6.1077 -6.1039 0.3532 0.3554 1.4844 1.4902 2.5748 2.5790 4.1937 4.1965 4.2945 4.3105 4.4577 4.4688 5.2671 5.2791 8.0401 8.0597 8.4354 8.4549 10.1784 10.2120 10.6180 10.6568 k = 0.3152-0.6343-0.3797 ( 3494 PWs) bands (ev): -8.7974 -8.7934 -8.7473 -8.7438 -8.6849 -8.6845 -8.6362 -8.6357 -8.0447 -8.0433 -7.9499 -7.9498 -7.8610 -7.8607 -7.7817 -7.7814 -7.7370 -7.7364 -7.6333 -7.6330 -6.3416 -6.3369 -6.0738 -6.0700 0.3357 0.3381 1.4122 1.4181 2.5463 2.5503 4.1805 4.1824 4.2661 4.2829 4.4304 4.4411 5.2341 5.2466 7.9821 8.0024 8.4167 8.4380 10.1451 10.1799 10.6039 10.6423 k = 0.3261-0.6562-0.3928 ( 3496 PWs) bands (ev): -8.8001 -8.7962 -8.7516 -8.7481 -8.6848 -8.6844 -8.6361 -8.6357 -8.0466 -8.0454 -7.9522 -7.9522 -7.8612 -7.8609 -7.7807 -7.7804 -7.7367 -7.7362 -7.6315 -7.6313 -6.3010 -6.2964 -6.0406 -6.0368 0.3138 0.3163 1.3417 1.3474 2.5280 2.5318 4.1668 4.1678 4.2394 4.2568 4.4049 4.4150 5.1970 5.2099 7.9287 7.9495 8.3995 8.4224 10.1148 10.1509 10.5858 10.6239 k = 0.3370-0.6780-0.4059 ( 3495 PWs) bands (ev): -8.8027 -8.7989 -8.7557 -8.7524 -8.6846 -8.6842 -8.6361 -8.6357 -8.0483 -8.0472 -7.9544 -7.9543 -7.8614 -7.8611 -7.7798 -7.7794 -7.7365 -7.7359 -7.6298 -7.6295 -6.2613 -6.2567 -6.0085 -6.0046 0.2881 0.2905 1.2731 1.2786 2.5195 2.5230 4.1521 4.1525 4.2145 4.2319 4.3811 4.3903 5.1563 5.1695 7.8800 7.9010 8.3841 8.4082 10.0876 10.1249 10.5648 10.6025 k = 0.3478-0.6999-0.4190 ( 3487 PWs) bands (ev): -8.8051 -8.8015 -8.7598 -8.7565 -8.6845 -8.6841 -8.6361 -8.6356 -8.0498 -8.0489 -7.9565 -7.9563 -7.8615 -7.8612 -7.7788 -7.7785 -7.7362 -7.7357 -7.6281 -7.6279 -6.2227 -6.2181 -5.9774 -5.9735 0.2591 0.2616 1.2067 1.2119 2.5203 2.5235 4.1362 4.1365 4.1914 4.2082 4.3589 4.3670 5.1127 5.1262 7.8358 7.8567 8.3706 8.3955 10.0636 10.1019 10.5419 10.5792 k = 0.3587-0.7218-0.4320 ( 3491 PWs) bands (ev): -8.8074 -8.8039 -8.7637 -8.7605 -8.6844 -8.6839 -8.6360 -8.6356 -8.0512 -8.0504 -7.9583 -7.9581 -7.8617 -7.8614 -7.7779 -7.7775 -7.7359 -7.7355 -7.6266 -7.6264 -6.1852 -6.1807 -5.9476 -5.9437 0.2277 0.2301 1.1428 1.1477 2.5295 2.5325 4.1191 4.1199 4.1702 4.1854 4.3382 4.3450 5.0671 5.0807 7.7959 7.8165 8.3590 8.3843 10.0428 10.0820 10.5180 10.5549 k = 0.3696-0.7437-0.4451 ( 3495 PWs) bands (ev): -8.8095 -8.8061 -8.7674 -8.7644 -8.6842 -8.6838 -8.6360 -8.6356 -8.0524 -8.0517 -7.9600 -7.9597 -7.8618 -7.8616 -7.7770 -7.7767 -7.7357 -7.7352 -7.6251 -7.6249 -6.1492 -6.1447 -5.9193 -5.9155 0.1947 0.1970 1.0818 1.0864 2.5463 2.5490 4.1010 4.1031 4.1506 4.1633 4.3186 4.3240 5.0204 5.0341 7.7601 7.7800 8.3494 8.3747 10.0251 10.0649 10.4937 10.5302 k = 0.3804-0.7655-0.4582 ( 3493 PWs) bands (ev): -8.8114 -8.8081 -8.7709 -8.7680 -8.6841 -8.6837 -8.6360 -8.6356 -8.0535 -8.0530 -7.9615 -7.9612 -7.8620 -7.8618 -7.7762 -7.7758 -7.7354 -7.7350 -7.6238 -7.6236 -6.1148 -6.1105 -5.8926 -5.8888 0.1609 0.1632 1.0240 1.0283 2.5697 2.5721 4.0822 4.0862 4.1322 4.1418 4.2997 4.3037 4.9738 4.9874 7.7280 7.7471 8.3416 8.3665 10.0105 10.0506 10.4699 10.5058 k = 0.3913-0.7874-0.4713 ( 3498 PWs) bands (ev): -8.8131 -8.8100 -8.7742 -8.7715 -8.6840 -8.6836 -8.6359 -8.6355 -8.0545 -8.0540 -7.9628 -7.9625 -7.8622 -7.8620 -7.7754 -7.7751 -7.7352 -7.7348 -7.6225 -7.6223 -6.0823 -6.0781 -5.8677 -5.8640 0.1272 0.1293 0.9699 0.9737 2.5985 2.6007 4.0631 4.0693 4.1147 4.1207 4.2812 4.2839 4.9285 4.9418 7.6994 7.7175 8.3355 8.3597 9.9989 10.0387 10.4471 10.4821 k = 0.4022-0.8093-0.4844 ( 3494 PWs) bands (ev): -8.8147 -8.8118 -8.7772 -8.7747 -8.6838 -8.6835 -8.6359 -8.6355 -8.0554 -8.0550 -7.9640 -7.9636 -7.8623 -7.8621 -7.7746 -7.7743 -7.7349 -7.7346 -7.6213 -7.6212 -6.0519 -6.0479 -5.8447 -5.8412 0.0943 0.0962 0.9197 0.9232 2.6316 2.6336 4.0438 4.0524 4.0980 4.1003 4.2628 4.2644 4.8855 4.8983 7.6741 7.6910 8.3310 8.3540 9.9899 10.0290 10.4257 10.4595 k = 0.4130-0.8312-0.4975 ( 3487 PWs) bands (ev): -8.8160 -8.8133 -8.7800 -8.7776 -8.6837 -8.6833 -8.6358 -8.6355 -8.0562 -8.0558 -7.9650 -7.9647 -7.8624 -7.8623 -7.7739 -7.7737 -7.7347 -7.7344 -7.6203 -7.6202 -6.0238 -6.0201 -5.8238 -5.8205 0.0629 0.0647 0.8738 0.8769 2.6678 2.6696 4.0243 4.0351 4.0809 4.0822 4.2447 4.2452 4.8460 4.8580 7.6520 7.6674 8.3278 8.3493 9.9835 10.0212 10.4061 10.4384 k = 0.4239-0.8530-0.5106 ( 3490 PWs) bands (ev): -8.8171 -8.8147 -8.7825 -8.7803 -8.6836 -8.6833 -8.6358 -8.6355 -8.0568 -8.0565 -7.9659 -7.9656 -7.8626 -7.8624 -7.7733 -7.7731 -7.7345 -7.7342 -7.6194 -7.6193 -5.9983 -5.9949 -5.8051 -5.8020 0.0338 0.0354 0.8326 0.8353 2.7057 2.7073 4.0045 4.0168 4.0632 4.0673 4.2266 4.2269 4.8106 4.8217 7.6329 7.6467 8.3258 8.3455 9.9793 10.0150 10.3887 10.4191 k = 0.4348-0.8749-0.5237 ( 3487 PWs) bands (ev): -8.8181 -8.8159 -8.7846 -8.7827 -8.6835 -8.6832 -8.6358 -8.6355 -8.0574 -8.0572 -7.9666 -7.9663 -7.8627 -7.8626 -7.7728 -7.7725 -7.7343 -7.7341 -7.6186 -7.6185 -5.9756 -5.9725 -5.7886 -5.7858 0.0074 0.0088 0.7963 0.7986 2.7439 2.7454 3.9844 3.9970 4.0480 4.0538 4.2091 4.2099 4.7802 4.7900 7.6166 7.6286 8.3248 8.3423 9.9771 10.0098 10.3738 10.4016 k = 0.4457-0.8968-0.5368 ( 3489 PWs) bands (ev): -8.8188 -8.8170 -8.7865 -8.7848 -8.6834 -8.6831 -8.6357 -8.6355 -8.0579 -8.0577 -7.9672 -7.9670 -7.8628 -7.8627 -7.7723 -7.7721 -7.7342 -7.7340 -7.6179 -7.6178 -5.9559 -5.9532 -5.7745 -5.7721 -0.0157 -0.0146 0.7651 0.7670 2.7808 2.7821 3.9643 3.9760 4.0357 4.0418 4.1932 4.1944 4.7549 4.7633 7.6031 7.6133 8.3246 8.3396 9.9765 10.0055 10.3616 10.3861 k = 0.4565-0.9186-0.5499 ( 3490 PWs) bands (ev): -8.8194 -8.8179 -8.7880 -8.7866 -8.6833 -8.6831 -8.6357 -8.6355 -8.0582 -8.0581 -7.9677 -7.9675 -7.8628 -7.8628 -7.7719 -7.7717 -7.7340 -7.7339 -7.6173 -7.6172 -5.9394 -5.9372 -5.7629 -5.7608 -0.0352 -0.0343 0.7393 0.7408 2.8148 2.8159 3.9449 3.9548 4.0262 4.0318 4.1797 4.1809 4.7347 4.7416 7.5923 7.6006 8.3250 8.3373 9.9773 10.0017 10.3521 10.3728 k = 0.4674-0.9405-0.5630 ( 3491 PWs) bands (ev): -8.8198 -8.8186 -8.7891 -8.7880 -8.6832 -8.6831 -8.6357 -8.6355 -8.0585 -8.0584 -7.9681 -7.9679 -7.8629 -7.8628 -7.7716 -7.7714 -7.7339 -7.7338 -7.6169 -7.6168 -5.9263 -5.9246 -5.7537 -5.7521 -0.0506 -0.0499 0.7191 0.7203 2.8440 2.8449 3.9274 3.9350 4.0192 4.0237 4.1688 4.1700 4.7197 4.7249 7.5842 7.5905 8.3258 8.3352 9.9791 9.9982 10.3455 10.3616 k = 0.4783-0.9624-0.5761 ( 3491 PWs) bands (ev): -8.8200 -8.8192 -8.7898 -8.7891 -8.6831 -8.6831 -8.6356 -8.6355 -8.0587 -8.0587 -7.9683 -7.9682 -7.8629 -7.8629 -7.7713 -7.7712 -7.7338 -7.7338 -7.6165 -7.6165 -5.9167 -5.9155 -5.7471 -5.7460 -0.0618 -0.0614 0.7047 0.7054 2.8666 2.8672 3.9136 3.9187 4.0146 4.0176 4.1611 4.1619 4.7094 4.7129 7.5787 7.5829 8.3270 8.3333 9.9816 9.9947 10.3417 10.3527 k = 0.4891-0.9843-0.5892 ( 3492 PWs) bands (ev): -8.8200 -8.8196 -8.7902 -8.7899 -8.6831 -8.6831 -8.6356 -8.6356 -8.0588 -8.0588 -7.9685 -7.9684 -7.8630 -7.8629 -7.7712 -7.7711 -7.7338 -7.7337 -7.6163 -7.6163 -5.9108 -5.9102 -5.7429 -5.7424 -0.0686 -0.0683 0.6960 0.6964 2.8810 2.8813 3.9050 3.9075 4.0122 4.0137 4.1564 4.1569 4.7037 4.7055 7.5759 7.5780 8.3284 8.3316 9.9846 9.9913 10.3406 10.3462 k = 0.5000-1.0061-0.6022 ( 3502 PWs) bands (ev): -8.8199 -8.8199 -8.7902 -8.7902 -8.6831 -8.6831 -8.6356 -8.6356 -8.0589 -8.0589 -7.9685 -7.9685 -7.8630 -7.8630 -7.7711 -7.7711 -7.7337 -7.7337 -7.6163 -7.6163 -5.9086 -5.9086 -5.7414 -5.7414 -0.0708 -0.0708 0.6932 0.6932 2.8860 2.8860 3.9028 3.9028 4.0119 4.0119 4.1550 4.1550 4.7024 4.7024 7.5756 7.5756 8.3299 8.3299 9.9879 9.9879 10.3421 10.3421 k = 0.5000-1.0061-0.6022 ( 3502 PWs) bands (ev): -8.8199 -8.8199 -8.7902 -8.7902 -8.6831 -8.6831 -8.6356 -8.6356 -8.0589 -8.0589 -7.9685 -7.9685 -7.8630 -7.8630 -7.7711 -7.7711 -7.7337 -7.7337 -7.6163 -7.6163 -5.9086 -5.9086 -5.7414 -5.7414 -0.0708 -0.0708 0.6932 0.6932 2.8860 2.8860 3.9028 3.9028 4.0119 4.0119 4.1550 4.1550 4.7024 4.7024 7.5756 7.5756 8.3299 8.3299 9.9879 9.9879 10.3421 10.3421 k = 0.5000-0.9923-0.6254 ( 3494 PWs) bands (ev): -8.8218 -8.8181 -8.7915 -8.7891 -8.6846 -8.6814 -8.6357 -8.6354 -8.0639 -8.0540 -7.9688 -7.9685 -7.8656 -7.8600 -7.7713 -7.7709 -7.7352 -7.7324 -7.6166 -7.6159 -5.9090 -5.9071 -5.7414 -5.7405 -0.0715 -0.0688 0.6917 0.6959 2.8864 2.8869 3.8815 3.9064 3.9902 4.0309 4.1507 4.1560 4.6991 4.7091 7.5779 7.5849 8.3291 8.3396 9.9860 9.9948 10.3442 10.3472 k = 0.5000-0.9784-0.6486 ( 3494 PWs) bands (ev): -8.8236 -8.8163 -8.7928 -8.7880 -8.6861 -8.6796 -8.6358 -8.6353 -8.0689 -8.0492 -7.9693 -7.9689 -7.8679 -7.8569 -7.7715 -7.7709 -7.7369 -7.7311 -7.6170 -7.6155 -5.9082 -5.9046 -5.7406 -5.7389 -0.0709 -0.0656 0.6913 0.6997 2.8879 2.8891 3.8487 3.8856 3.9725 4.0378 4.1464 4.1543 4.6995 4.7187 7.5914 7.6053 8.3370 8.3579 9.9889 10.0066 10.3535 10.3595 k = 0.5000-0.9645-0.6718 ( 3492 PWs) bands (ev): -8.8254 -8.8147 -8.7941 -8.7871 -8.6874 -8.6776 -8.6359 -8.6351 -8.0740 -8.0446 -7.9703 -7.9695 -7.8698 -7.8535 -7.7718 -7.7708 -7.7385 -7.7300 -7.6174 -7.6151 -5.9064 -5.9010 -5.7390 -5.7365 -0.0692 -0.0612 0.6920 0.7046 2.8906 2.8923 3.8071 3.8450 3.9531 4.0249 4.1475 4.1537 4.7034 4.7302 7.6157 7.6362 8.3531 8.3842 9.9963 10.0231 10.3700 10.3790 k = 0.5000-0.9506-0.6950 ( 3492 PWs) bands (ev): -8.8272 -8.8132 -8.7953 -8.7862 -8.6886 -8.6756 -8.6359 -8.6349 -8.0792 -8.0401 -7.9715 -7.9704 -7.8714 -7.8499 -7.7720 -7.7709 -7.7402 -7.7291 -7.6177 -7.6147 -5.9036 -5.8964 -5.7367 -5.7333 -0.0662 -0.0556 0.6937 0.7107 2.8942 2.8965 3.7583 3.7927 3.9240 3.9926 4.1515 4.1591 4.7100 4.7427 7.6497 7.6765 8.3763 8.4176 10.0077 10.0440 10.3934 10.4055 k = 0.5000-0.9367-0.7182 ( 3492 PWs) bands (ev): -8.8290 -8.8120 -8.7963 -8.7856 -8.6897 -8.6734 -8.6360 -8.6347 -8.0843 -8.0359 -7.9730 -7.9714 -7.8727 -7.8462 -7.7723 -7.7711 -7.7420 -7.7283 -7.6181 -7.6144 -5.8997 -5.8908 -5.7336 -5.7294 -0.0621 -0.0488 0.6965 0.7178 2.8987 2.9014 3.7033 3.7330 3.8833 3.9465 4.1564 4.1693 4.7187 4.7556 7.6922 7.7248 8.4055 8.4567 10.0222 10.0681 10.4236 10.4385 k = 0.5000-0.9228-0.7414 ( 3498 PWs) bands (ev): -8.8307 -8.8111 -8.7971 -8.7850 -8.6907 -8.6712 -8.6360 -8.6344 -8.0895 -8.0318 -7.9748 -7.9726 -7.8736 -7.8424 -7.7726 -7.7715 -7.7436 -7.7277 -7.6184 -7.6140 -5.8948 -5.8842 -5.7298 -5.7249 -0.0569 -0.0408 0.7002 0.7258 2.9035 2.9068 3.6430 3.6679 3.8330 3.8911 4.1632 4.1801 4.7284 4.7682 7.7418 7.7797 8.4392 8.4998 10.0381 10.0938 10.4594 10.4770 k = 0.5000-0.9090-0.7646 ( 3500 PWs) bands (ev): -8.8324 -8.8107 -8.7975 -8.7846 -8.6916 -8.6688 -8.6361 -8.6342 -8.0946 -8.0280 -7.9769 -7.9740 -7.8742 -7.8386 -7.7729 -7.7720 -7.7452 -7.7273 -7.6187 -7.6136 -5.8889 -5.8768 -5.7253 -5.7197 -0.0507 -0.0319 0.7048 0.7348 2.9082 2.9120 3.5782 3.5988 3.7757 3.8297 4.1710 4.1903 4.7386 4.7801 7.7970 7.8396 8.4755 8.5450 10.0524 10.1172 10.4969 10.5182 k = 0.5000-0.8951-0.7878 ( 3496 PWs) bands (ev): -8.8339 -8.8109 -8.7975 -8.7843 -8.6924 -8.6665 -8.6361 -8.6339 -8.0996 -8.0244 -7.9791 -7.9754 -7.8745 -7.8347 -7.7732 -7.7727 -7.7467 -7.7270 -7.6190 -7.6133 -5.8821 -5.8685 -5.7203 -5.7139 -0.0435 -0.0219 0.7101 0.7447 2.9123 2.9165 3.5096 3.5270 3.7143 3.7651 4.1793 4.1997 4.7486 4.7911 7.8562 7.9030 8.5127 8.5903 10.0603 10.1313 10.5181 10.5592 k = 0.5000-0.8812-0.8110 ( 3492 PWs) bands (ev): -8.8354 -8.8116 -8.7970 -8.7841 -8.6931 -8.6641 -8.6361 -8.6335 -8.1045 -8.0210 -7.9814 -7.9770 -7.8746 -7.8308 -7.7737 -7.7734 -7.7479 -7.7269 -7.6193 -7.6129 -5.8745 -5.8595 -5.7147 -5.7076 -0.0355 -0.0110 0.7160 0.7552 2.9146 2.9193 3.4378 3.4537 3.6515 3.7000 4.1876 4.2083 4.7581 4.8010 7.9181 7.9685 8.5488 8.6334 10.0552 10.1250 10.5111 10.5885 k = 0.5000-0.8673-0.8341 ( 3492 PWs) bands (ev): -8.8369 -8.8127 -8.7963 -8.7841 -8.6938 -8.6617 -8.6362 -8.6332 -8.1093 -8.0180 -7.9837 -7.9785 -7.8744 -7.8270 -7.7749 -7.7737 -7.7490 -7.7269 -7.6195 -7.6126 -5.8661 -5.8497 -5.7086 -5.7009 -0.0267 0.0007 0.7225 0.7664 2.9139 2.9190 3.3635 3.3799 3.5902 3.6372 4.1957 4.2161 4.7666 4.8097 7.9814 8.0347 8.5820 8.6722 10.0305 10.0905 10.5117 10.5896 k = 0.5000-0.8534-0.8573 ( 3502 PWs) bands (ev): -8.8382 -8.8140 -8.7954 -8.7841 -8.6943 -8.6592 -8.6362 -8.6328 -8.1139 -8.0153 -7.9860 -7.9801 -7.8741 -7.8232 -7.7763 -7.7740 -7.7498 -7.7271 -7.6197 -7.6122 -5.8570 -5.8394 -5.7021 -5.6939 -0.0172 0.0130 0.7294 0.7780 2.9084 2.9143 3.2875 3.3066 3.5333 3.5796 4.2034 4.2231 4.7739 4.8169 8.0448 8.1003 8.6104 8.7046 9.9848 10.0337 10.5356 10.5952 k = 0.5000-0.8396-0.8805 ( 3496 PWs) bands (ev): -8.8395 -8.8154 -8.7944 -8.7843 -8.6948 -8.6569 -8.6362 -8.6324 -8.1184 -8.0130 -7.9882 -7.9817 -7.8736 -7.8195 -7.7779 -7.7743 -7.7505 -7.7274 -7.6199 -7.6119 -5.8472 -5.8286 -5.6953 -5.6866 -0.0073 0.0259 0.7364 0.7899 2.8958 2.9035 3.2109 3.2345 3.4841 3.5300 4.2104 4.2295 4.7798 4.8228 8.1073 8.1643 8.6324 8.7289 9.9228 9.9679 10.5756 10.6147 k = 0.5000-0.8257-0.9037 ( 3492 PWs) bands (ev): -8.8407 -8.8169 -8.7935 -8.7845 -8.6953 -8.6545 -8.6363 -8.6320 -8.1226 -8.0111 -7.9901 -7.9832 -7.8730 -7.8159 -7.7797 -7.7746 -7.7509 -7.7278 -7.6201 -7.6116 -5.8370 -5.8173 -5.6883 -5.6792 0.0031 0.0393 0.7436 0.8020 2.8742 2.8854 3.1346 3.1642 3.4454 3.4911 4.2166 4.2352 4.7842 4.8271 8.1680 8.2253 8.6469 8.7437 9.8532 9.9019 10.6213 10.6424 k = 0.5000-0.8118-0.9269 ( 3492 PWs) bands (ev): -8.8418 -8.8184 -8.7927 -8.7847 -8.6956 -8.6523 -8.6363 -8.6316 -8.1267 -8.0098 -7.9916 -7.9847 -7.8723 -7.8124 -7.7815 -7.7748 -7.7513 -7.7282 -7.6202 -7.6113 -5.8263 -5.8057 -5.6813 -5.6717 0.0136 0.0528 0.7506 0.8139 2.8423 2.8591 3.0596 3.0965 3.4192 3.4645 4.2218 4.2402 4.7867 4.8299 8.2259 8.2823 8.6530 8.7484 9.7842 9.8401 10.6581 10.6774 k = 0.5000-0.7979-0.9501 ( 3494 PWs) bands (ev): -8.8428 -8.8199 -8.7920 -8.7850 -8.6960 -8.6501 -8.6364 -8.6312 -8.1305 -8.0090 -7.9927 -7.9861 -7.8716 -7.8091 -7.7834 -7.7751 -7.7514 -7.7288 -7.6203 -7.6110 -5.8153 -5.7939 -5.6742 -5.6642 0.0243 0.0664 0.7573 0.8255 2.8010 2.8250 2.9868 3.0321 3.4058 3.4504 4.2259 4.2444 4.7874 4.8310 8.2801 8.3333 8.6508 8.7434 9.7212 9.7850 10.6797 10.7150 k = 0.5000-0.7840-0.9733 ( 3494 PWs) bands (ev): -8.8437 -8.8213 -8.7915 -8.7852 -8.6962 -8.6481 -8.6364 -8.6308 -8.1341 -8.0089 -7.9933 -7.9874 -7.8708 -7.8059 -7.7853 -7.7754 -7.7515 -7.7294 -7.6204 -7.6108 -5.8042 -5.7820 -5.6673 -5.6570 0.0347 0.0799 0.7635 0.8365 2.7523 2.7843 2.9175 2.9715 3.4039 3.4478 4.2286 4.2476 4.7860 4.8303 8.3291 8.3761 8.6414 8.7306 9.6672 9.7382 10.6916 10.7445 k = 0.5000-0.7702-0.9965 ( 3492 PWs) bands (ev): -8.8446 -8.8227 -8.7912 -8.7854 -8.6964 -8.6462 -8.6365 -8.6304 -8.1374 -8.0093 -7.9936 -7.9885 -7.8701 -7.8029 -7.7872 -7.7757 -7.7515 -7.7301 -7.6205 -7.6105 -5.7929 -5.7702 -5.6606 -5.6500 0.0449 0.0929 0.7691 0.8468 2.6990 2.7387 2.8529 2.9153 3.4117 3.4550 4.2299 4.2498 4.7825 4.8278 8.3709 8.4067 8.6278 8.7146 9.6235 9.7006 10.6960 10.7634 k = 0.5000-0.7563-1.0197 ( 3490 PWs) bands (ev): -8.8453 -8.8240 -8.7910 -8.7855 -8.6966 -8.6445 -8.6365 -8.6300 -8.1404 -8.0101 -7.9937 -7.9893 -7.8693 -7.8001 -7.7890 -7.7759 -7.7515 -7.7307 -7.6205 -7.6103 -5.7817 -5.7585 -5.6542 -5.6434 0.0545 0.1055 0.7739 0.8561 2.6440 2.6899 2.7945 2.8640 3.4272 3.4702 4.2296 4.2507 4.7766 4.8233 8.4018 8.4198 8.6144 8.7024 9.5904 9.6720 10.6952 10.7731 k = 0.5000-0.7424-1.0429 ( 3492 PWs) bands (ev): -8.8460 -8.8253 -8.7910 -8.7856 -8.6968 -8.6429 -8.6366 -8.6296 -8.1431 -8.0110 -7.9938 -7.9898 -7.8686 -7.7975 -7.7906 -7.7762 -7.7514 -7.7314 -7.6205 -7.6101 -5.7707 -5.7471 -5.6484 -5.6374 0.0634 0.1172 0.7777 0.8642 2.5894 2.6397 2.7432 2.8180 3.4486 3.4918 4.2274 4.2502 4.7684 4.8168 8.4124 8.4155 8.6071 8.7012 9.5674 9.6520 10.6913 10.7764 k = 0.5000-0.7285-1.0660 ( 3490 PWs) bands (ev): -8.8465 -8.8264 -8.7912 -8.7856 -8.6969 -8.6415 -8.6366 -8.6292 -8.1456 -8.0120 -7.9942 -7.9899 -7.8680 -7.7952 -7.7921 -7.7764 -7.7513 -7.7321 -7.6205 -7.6099 -5.7601 -5.7360 -5.6432 -5.6320 0.0715 0.1279 0.7805 0.8709 2.5370 2.5901 2.6994 2.7780 3.4746 3.5185 4.2234 4.2480 4.7578 4.8081 8.3878 8.4067 8.6110 8.7120 9.5537 9.6399 10.6863 10.7759 k = 0.5000-0.7146-1.0892 ( 3494 PWs) bands (ev): -8.8470 -8.8274 -8.7914 -8.7855 -8.6970 -8.6403 -8.6367 -8.6289 -8.1477 -8.0129 -7.9947 -7.9898 -7.8675 -7.7936 -7.7930 -7.7767 -7.7512 -7.7327 -7.6205 -7.6097 -5.7499 -5.7256 -5.6388 -5.6274 0.0785 0.1373 0.7823 0.8761 2.4884 2.5429 2.6631 2.7442 3.5043 3.5492 4.2173 4.2439 4.7446 4.7973 8.3522 8.3792 8.6251 8.7302 9.5484 9.6350 10.6818 10.7740 k = 0.5000-0.7008-1.1124 ( 3496 PWs) bands (ev): -8.8474 -8.8282 -8.7917 -8.7855 -8.6970 -8.6392 -8.6367 -8.6286 -8.1495 -8.0136 -7.9952 -7.9896 -7.8670 -7.7947 -7.7913 -7.7769 -7.7511 -7.7332 -7.6204 -7.6095 -5.7403 -5.7158 -5.6352 -5.6238 0.0844 0.1454 0.7830 0.8798 2.4444 2.4997 2.6342 2.7170 3.5367 3.5832 4.2091 4.2377 4.7290 4.7841 8.3114 8.3414 8.6438 8.7510 9.5507 9.6368 10.6787 10.7724 k = 0.5000-0.6869-1.1356 ( 3490 PWs) bands (ev): -8.8477 -8.8290 -8.7921 -8.7854 -8.6971 -8.6384 -8.6368 -8.6284 -8.1510 -8.0142 -7.9956 -7.9895 -7.8666 -7.7956 -7.7898 -7.7771 -7.7510 -7.7337 -7.6204 -7.6094 -5.7315 -5.7069 -5.6327 -5.6212 0.0891 0.1520 0.7829 0.8821 2.4061 2.4616 2.6127 2.6965 3.5713 3.6197 4.1986 4.2294 4.7110 4.7689 8.2692 8.3000 8.6631 8.7715 9.5596 9.6449 10.6777 10.7721 k = 0.5000-0.6730-1.1588 ( 3488 PWs) bands (ev): -8.8480 -8.8296 -8.7924 -8.7853 -8.6971 -8.6378 -8.6368 -8.6282 -8.1523 -8.0147 -7.9960 -7.9894 -7.8663 -7.7963 -7.7887 -7.7773 -7.7509 -7.7340 -7.6203 -7.6093 -5.7236 -5.6989 -5.6314 -5.6198 0.0924 0.1569 0.7821 0.8829 2.3741 2.4293 2.5987 2.6828 3.6074 3.6581 4.1856 4.2186 4.6907 4.7515 8.2281 8.2589 8.6811 8.7904 9.5747 9.6589 10.6791 10.7738 k = 0.5000-0.6591-1.1820 ( 3486 PWs) bands (ev): -8.8481 -8.8301 -8.7926 -8.7853 -8.6971 -8.6374 -8.6367 -8.6281 -8.1532 -8.0149 -7.9962 -7.9893 -7.8661 -7.7968 -7.7879 -7.7774 -7.7508 -7.7343 -7.6203 -7.6092 -5.7168 -5.6920 -5.6313 -5.6196 0.0945 0.1602 0.7808 0.8827 2.3487 2.4036 2.5919 2.6759 3.6443 3.6978 4.1703 4.2054 4.6685 4.7323 8.1898 8.2206 8.6971 8.8072 9.5951 9.6783 10.6831 10.7779 k = 0.5000-0.6452-1.2052 ( 3490 PWs) bands (ev): -8.8481 -8.8305 -8.7928 -8.7852 -8.6971 -8.6373 -8.6366 -8.6280 -8.1538 -8.0150 -7.9963 -7.9893 -7.8660 -7.7972 -7.7874 -7.7774 -7.7508 -7.7344 -7.6203 -7.6091 -5.7112 -5.6864 -5.6326 -5.6209 0.0955 0.1620 0.7793 0.8816 2.3305 2.3846 2.5923 2.6758 3.6814 3.7383 4.1523 4.1896 4.6448 4.7118 8.1556 8.1866 8.7111 8.8220 9.6201 9.7028 10.6896 10.7844 k = 0.5000-0.6313-1.2284 ( 3492 PWs) bands (ev): -8.8480 -8.8307 -8.7929 -8.7851 -8.6971 -8.6372 -8.6366 -8.6280 -8.1542 -8.0150 -7.9962 -7.9894 -7.8660 -7.7973 -7.7873 -7.7774 -7.7508 -7.7345 -7.6202 -7.6091 -5.7069 -5.6822 -5.6355 -5.6237 0.0954 0.1622 0.7781 0.8802 2.3194 2.3726 2.5996 2.6821 3.7181 3.7786 4.1319 4.1712 4.6202 4.6904 8.1262 8.1579 8.7235 8.8349 9.6493 9.7317 10.6985 10.7934 k = 0.5000-0.6175-1.2516 ( 3488 PWs) bands (ev): -8.8479 -8.8307 -8.7929 -8.7849 -8.6971 -8.6373 -8.6366 -8.6280 -8.1543 -8.0147 -7.9961 -7.9896 -7.8660 -7.7972 -7.7874 -7.7774 -7.7508 -7.7344 -7.6203 -7.6091 -5.7041 -5.6794 -5.6400 -5.6282 0.0945 0.1613 0.7776 0.8788 2.3156 2.3677 2.6137 2.6947 3.7533 3.8180 4.1089 4.1502 4.5955 4.6689 8.1023 8.1351 8.7347 8.8465 9.6818 9.7644 10.7096 10.8048 k = 0.5000-0.6036-1.2748 ( 3494 PWs) bands (ev): -8.8476 -8.8306 -8.7928 -8.7848 -8.6970 -8.6373 -8.6368 -8.6281 -8.1541 -8.0143 -7.9957 -7.9897 -7.8661 -7.7970 -7.7878 -7.7774 -7.7509 -7.7343 -7.6203 -7.6092 -5.7029 -5.6783 -5.6461 -5.6343 0.0930 0.1593 0.7781 0.8779 2.3191 2.3697 2.6340 2.7133 3.7861 3.8552 4.0833 4.1267 4.5720 4.6485 8.0843 8.1185 8.7452 8.8572 9.7171 9.8004 10.7227 10.8183 k = 0.8209-0.5283-1.1342 ( 3494 PWs) bands (ev): -8.8476 -8.8306 -8.7928 -8.7848 -8.6970 -8.6373 -8.6368 -8.6281 -8.1541 -8.0143 -7.9957 -7.9897 -7.8661 -7.7970 -7.7878 -7.7774 -7.7509 -7.7343 -7.6203 -7.6092 -5.7029 -5.6783 -5.6461 -5.6343 0.0930 0.1593 0.7781 0.8779 2.3191 2.3697 2.6340 2.7133 3.7861 3.8552 4.0833 4.1267 4.5720 4.6485 8.0843 8.1185 8.7452 8.8572 9.7171 9.8004 10.7227 10.8183 k = 0.8146-0.5156-1.1106 ( 3482 PWs) bands (ev): -8.8472 -8.8303 -8.7925 -8.7845 -8.6970 -8.6375 -8.6370 -8.6283 -8.1537 -8.0138 -7.9953 -7.9899 -7.8663 -7.7966 -7.7884 -7.7775 -7.7510 -7.7341 -7.6204 -7.6093 -5.7034 -5.6790 -5.6542 -5.6424 0.0913 0.1567 0.7802 0.8782 2.3298 2.3788 2.6607 2.7381 3.8156 3.8892 4.0549 4.1002 4.5510 4.6301 8.0722 8.1083 8.7555 8.8677 9.7554 9.8397 10.7379 10.8340 k = 0.8083-0.5029-1.0870 ( 3490 PWs) bands (ev): -8.8467 -8.8299 -8.7921 -8.7841 -8.6970 -8.6379 -8.6371 -8.6285 -8.1531 -8.0131 -7.9948 -7.9901 -7.8664 -7.7961 -7.7892 -7.7776 -7.7511 -7.7338 -7.6205 -7.6095 -5.7059 -5.6817 -5.6643 -5.6524 0.0896 0.1537 0.7842 0.8800 2.3475 2.3947 2.6931 2.7683 3.8395 3.9173 4.0241 4.0713 4.5350 4.6158 8.0665 8.1048 8.7660 8.8781 9.7953 9.8810 10.7548 10.8516 k = 0.8020-0.4903-1.0634 ( 3498 PWs) bands (ev): -8.8460 -8.8292 -8.7916 -8.7837 -8.6969 -8.6385 -8.6372 -8.6287 -8.1522 -8.0124 -7.9942 -7.9901 -7.8666 -7.7955 -7.7902 -7.7777 -7.7513 -7.7335 -7.6206 -7.6097 -5.7103 -5.6864 -5.6762 -5.6643 0.0884 0.1508 0.7907 0.8839 2.3720 2.4170 2.7308 2.8036 3.8563 3.9370 3.9912 4.0403 4.5265 4.6075 8.0672 8.1079 8.7768 8.8889 9.8364 9.9237 10.7731 10.8707 k = 0.7957-0.4776-1.0398 ( 3496 PWs) bands (ev): -8.8453 -8.8284 -8.7908 -8.7831 -8.6969 -8.6392 -8.6372 -8.6290 -8.1511 -8.0116 -7.9937 -7.9898 -7.8668 -7.7947 -7.7913 -7.7780 -7.7515 -7.7331 -7.6209 -7.6100 -5.7169 -5.6937 -5.6897 -5.6780 0.0879 0.1484 0.8000 0.8904 2.4027 2.4455 2.7732 2.8436 3.8642 3.9451 3.9574 4.0078 4.5279 4.6069 8.0740 8.1174 8.7882 8.9003 9.8781 9.9674 10.7928 10.8913 k = 0.7894-0.4650-1.0161 ( 3494 PWs) bands (ev): -8.8444 -8.8275 -8.7900 -8.7824 -8.6969 -8.6401 -8.6372 -8.6294 -8.1498 -8.0107 -7.9934 -7.9892 -7.8670 -7.7940 -7.7925 -7.7782 -7.7517 -7.7328 -7.6211 -7.6103 -5.7256 -5.7069 -5.7021 -5.6934 0.0886 0.1469 0.8125 0.8998 2.4394 2.4798 2.8200 2.8880 3.8621 3.9189 3.9434 3.9752 4.5404 4.6151 8.0868 8.1330 8.8002 8.9123 9.9200 10.0115 10.8136 10.9130 k = 0.7831-0.4523-0.9925 ( 3492 PWs) bands (ev): -8.8434 -8.8263 -8.7889 -8.7816 -8.6968 -8.6410 -8.6372 -8.6297 -8.1482 -8.0099 -7.9931 -7.9883 -7.8672 -7.7940 -7.7929 -7.7786 -7.7519 -7.7324 -7.6215 -7.6108 -5.7368 -5.7244 -5.7159 -5.7088 0.0907 0.1466 0.8284 0.9126 2.4815 2.5193 2.8707 2.9363 3.8490 3.8826 3.9231 3.9464 4.5641 4.6326 8.1053 8.1545 8.8130 8.9250 9.9617 10.0555 10.8354 10.9357 k = 0.7768-0.4396-0.9689 ( 3498 PWs) bands (ev): -8.8422 -8.8250 -8.7876 -8.7805 -8.6968 -8.6421 -8.6372 -8.6301 -8.1465 -8.0090 -7.9929 -7.9870 -7.8673 -7.7954 -7.7921 -7.7790 -7.7522 -7.7321 -7.6219 -7.6113 -5.7511 -5.7433 -5.7346 -5.7235 0.0944 0.1478 0.8479 0.9289 2.5286 2.5638 2.9250 2.9883 3.8238 3.8476 3.8904 3.9198 4.5978 4.6590 8.1290 8.1813 8.8263 8.9383 10.0027 10.0990 10.8581 10.9592 k = 0.7705-0.4270-0.9453 ( 3502 PWs) bands (ev): -8.8409 -8.8235 -8.7862 -8.7793 -8.6967 -8.6432 -8.6372 -8.6305 -8.1447 -8.0083 -7.9926 -7.9856 -7.8675 -7.7969 -7.7912 -7.7794 -7.7525 -7.7318 -7.6224 -7.6118 -5.7701 -5.7618 -5.7562 -5.7393 0.1000 0.1507 0.8714 0.9491 2.5802 2.6127 2.9823 3.0436 3.7885 3.8138 3.8536 3.8891 4.6396 4.6933 8.1577 8.2131 8.8400 8.9520 10.0428 10.1416 10.8816 10.9833 k = 0.7642-0.4143-0.9217 ( 3506 PWs) bands (ev): -8.8395 -8.8219 -8.7845 -8.7779 -8.6967 -8.6444 -8.6371 -8.6310 -8.1426 -8.0077 -7.9921 -7.9839 -7.8676 -7.7985 -7.7904 -7.7799 -7.7528 -7.7315 -7.6229 -7.6125 -5.7934 -5.7817 -5.7786 -5.7570 0.1077 0.1556 0.8988 0.9732 2.6360 2.6657 3.0424 3.1019 3.7487 3.7778 3.8157 3.8540 4.6877 4.7343 8.1908 8.2494 8.8540 8.9659 10.0815 10.1831 10.9055 11.0079 k = 0.7579-0.4017-0.8980 ( 3504 PWs) bands (ev): -8.8379 -8.8200 -8.7827 -8.7763 -8.6966 -8.6457 -8.6371 -8.6314 -8.1404 -8.0072 -7.9914 -7.9820 -7.8676 -7.8001 -7.7895 -7.7804 -7.7530 -7.7313 -7.6235 -7.6132 -5.8191 -5.8069 -5.7991 -5.7768 0.1174 0.1625 0.9304 1.0015 2.6954 2.7222 3.1047 3.1627 3.7075 3.7390 3.7774 3.8156 4.7405 4.7807 8.2279 8.2897 8.8680 8.9797 10.1188 10.2231 10.9297 11.0325 k = 0.7517-0.3890-0.8744 ( 3502 PWs) bands (ev): -8.8362 -8.8180 -8.7807 -8.7745 -8.6966 -8.6470 -8.6371 -8.6319 -8.1380 -8.0069 -7.9904 -7.9800 -7.8676 -7.8018 -7.7886 -7.7809 -7.7533 -7.7311 -7.6242 -7.6141 -5.8469 -5.8347 -5.8209 -5.7986 0.1293 0.1715 0.9661 1.0340 2.7580 2.7818 3.1687 3.2259 3.6663 3.6984 3.7390 3.7752 4.7968 4.8314 8.2684 8.3336 8.8817 8.9932 10.1542 10.2615 10.9537 11.0569 k = 0.7454-0.3763-0.8508 ( 3500 PWs) bands (ev): -8.8344 -8.8159 -8.7784 -8.7725 -8.6965 -8.6483 -8.6370 -8.6323 -8.1355 -8.0067 -7.9892 -7.9778 -7.8676 -7.8036 -7.7878 -7.7815 -7.7536 -7.7310 -7.6250 -7.6150 -5.8765 -5.8644 -5.8446 -5.8225 0.1433 0.1826 1.0060 1.0706 2.8232 2.8439 3.2336 3.2909 3.6259 3.6575 3.7014 3.7340 4.8558 4.8854 8.3119 8.3804 8.8947 9.0059 10.1879 10.2980 10.9770 11.0805 k = 0.7391-0.3637-0.8272 ( 3496 PWs) bands (ev): -8.8323 -8.8136 -8.7760 -8.7703 -8.6964 -8.6496 -8.6370 -8.6328 -8.1327 -8.0066 -7.9877 -7.9755 -7.8676 -7.8054 -7.7871 -7.7821 -7.7539 -7.7309 -7.6259 -7.6160 -5.9078 -5.8957 -5.8701 -5.8482 0.1594 0.1958 1.0499 1.1113 2.8904 2.9079 3.2980 3.3571 3.5877 3.6180 3.6652 3.6931 4.9166 4.9420 8.3577 8.4297 8.9069 9.0176 10.2194 10.3325 10.9986 11.1023 k = 0.7328-0.3510-0.8036 ( 3504 PWs) bands (ev): -8.8302 -8.8111 -8.7734 -8.7678 -8.6962 -8.6510 -8.6370 -8.6333 -8.1299 -8.0067 -7.9860 -7.9731 -7.8675 -7.8072 -7.7864 -7.7827 -7.7541 -7.7308 -7.6268 -7.6172 -5.9407 -5.9286 -5.8975 -5.8758 0.1773 0.2109 1.0978 1.1561 2.9586 2.9731 3.3584 3.4225 3.5540 3.5835 3.6315 3.6538 4.9788 5.0005 8.4053 8.4809 8.9179 9.0278 10.2489 10.3650 11.0172 11.1208 k = 0.7265-0.3384-0.7800 ( 3500 PWs) bands (ev): -8.8279 -8.8086 -8.7707 -8.7651 -8.6961 -8.6524 -8.6369 -8.6337 -8.1268 -8.0068 -7.9841 -7.9705 -7.8674 -7.8091 -7.7859 -7.7834 -7.7543 -7.7308 -7.6278 -7.6184 -5.9749 -5.9629 -5.9265 -5.9052 0.1968 0.2277 1.1496 1.2048 3.0264 3.0383 3.4054 3.4739 3.5379 3.5625 3.6020 3.6194 5.0419 5.0604 8.4540 8.5333 8.9274 9.0362 10.2761 10.3955 11.0306 11.1200 k = 0.7202-0.3257-0.7563 ( 3494 PWs) bands (ev): -8.8255 -8.8058 -8.7678 -8.7622 -8.6959 -8.6538 -8.6369 -8.6341 -8.1236 -8.0068 -7.9820 -7.9679 -7.8673 -7.8110 -7.7855 -7.7839 -7.7545 -7.7308 -7.6289 -7.6197 -6.0104 -5.9985 -5.9571 -5.9361 0.2178 0.2460 1.2049 1.2571 3.0909 3.1024 3.4228 3.4691 3.5567 3.5730 3.5829 3.6114 5.1054 5.1212 8.5031 8.5862 8.9354 9.0427 10.3011 10.4237 11.0342 11.0650 k = 0.7139-0.3130-0.7327 ( 3496 PWs) bands (ev): -8.8229 -8.8030 -8.7647 -8.7591 -8.6957 -8.6553 -8.6368 -8.6346 -8.1203 -8.0069 -7.9798 -7.9650 -7.8671 -7.8130 -7.7854 -7.7843 -7.7546 -7.7309 -7.6301 -7.6211 -6.0471 -6.0353 -5.9891 -5.9686 0.2398 0.2654 1.2635 1.3128 3.1477 3.1624 3.4157 3.4470 3.5404 3.5516 3.6441 3.6581 5.1692 5.1827 8.5516 8.6390 8.9417 9.0471 10.3237 10.4497 11.0018 11.0351 k = 0.7076-0.3004-0.7091 ( 3494 PWs) bands (ev): -8.8202 -8.8000 -8.7616 -8.7558 -8.6954 -8.6567 -8.6368 -8.6350 -8.1167 -8.0070 -7.9773 -7.9621 -7.8670 -7.8149 -7.7858 -7.7843 -7.7547 -7.7310 -7.6313 -7.6227 -6.0847 -6.0731 -6.0225 -6.0024 0.2627 0.2858 1.3252 1.3716 3.1903 3.2107 3.4023 3.4363 3.5180 3.5457 3.7102 3.7265 5.2328 5.2445 8.5986 8.6906 8.9465 9.0496 10.3437 10.4733 10.9480 11.0159 k = 0.7013-0.2877-0.6855 ( 3496 PWs) bands (ev): -8.8174 -8.7969 -8.7583 -8.7523 -8.6951 -8.6581 -8.6367 -8.6353 -8.1130 -8.0069 -7.9747 -7.9591 -7.8668 -7.8169 -7.7865 -7.7842 -7.7547 -7.7311 -7.6326 -7.6243 -6.1233 -6.1118 -6.0569 -6.0373 0.2860 0.3067 1.3894 1.4330 3.2124 3.2371 3.3909 3.4431 3.5090 3.5574 3.7805 3.7987 5.2961 5.3064 8.6425 8.7398 8.9502 9.0508 10.3607 10.4940 10.8956 10.9877 k = 0.6950-0.2751-0.6619 ( 3494 PWs) bands (ev): -8.8144 -8.7937 -8.7549 -8.7486 -8.6947 -8.6595 -8.6367 -8.6357 -8.1091 -8.0068 -7.9720 -7.9559 -7.8666 -7.8189 -7.7872 -7.7841 -7.7547 -7.7312 -7.6339 -7.6261 -6.1625 -6.1513 -6.0924 -6.0733 0.3094 0.3278 1.4557 1.4966 3.2144 3.2399 3.3854 3.4451 3.5361 3.5898 3.8530 3.8718 5.3588 5.3680 8.6812 8.7846 8.9539 9.0522 10.3743 10.5109 10.8468 10.9540 k = 0.6887-0.2624-0.6383 ( 3484 PWs) bands (ev): -8.8113 -8.7905 -8.7514 -8.7448 -8.6943 -8.6608 -8.6367 -8.6359 -8.1049 -8.0066 -7.9691 -7.9526 -7.8664 -7.8208 -7.7879 -7.7841 -7.7546 -7.7314 -7.6353 -7.6279 -6.2024 -6.1914 -6.1288 -6.1102 0.3324 0.3486 1.5235 1.5617 3.2046 3.2284 3.3840 3.4380 3.5933 3.6399 3.9264 3.9452 5.4206 5.4293 8.7121 8.8217 8.9595 9.0567 10.3836 10.5224 10.8038 10.9191 k = 0.6824-0.2497-0.6146 ( 3492 PWs) bands (ev): -8.8081 -8.7871 -8.7480 -8.7408 -8.6938 -8.6622 -8.6366 -8.6362 -8.1006 -8.0062 -7.9660 -7.9492 -7.8663 -7.8228 -7.7887 -7.7842 -7.7544 -7.7316 -7.6368 -7.6298 -6.2427 -6.2319 -6.1658 -6.1478 0.3547 0.3689 1.5921 1.6275 3.1910 3.2122 3.3856 3.4325 3.6625 3.7015 3.9999 4.0184 5.4814 5.4898 8.7319 8.8457 8.9706 9.0680 10.3872 10.5258 10.7692 10.8861 k = 0.6762-0.2371-0.5910 ( 3492 PWs) bands (ev): -8.8048 -8.7837 -8.7444 -8.7367 -8.6932 -8.6635 -8.6366 -8.6364 -8.0961 -8.0057 -7.9628 -7.9457 -7.8661 -7.8248 -7.7895 -7.7844 -7.7542 -7.7318 -7.6383 -7.6319 -6.2833 -6.2728 -6.2034 -6.1860 0.3759 0.3883 1.6606 1.6933 3.1780 3.1967 3.3909 3.4321 3.7366 3.7695 4.0733 4.0912 5.5411 5.5495 8.7385 8.8513 8.9912 9.0889 10.3836 10.5176 10.7461 10.8580 k = 0.6699-0.2244-0.5674 ( 3492 PWs) bands (ev): -8.8014 -8.7803 -8.7409 -8.7326 -8.6925 -8.6649 -8.6366 -8.6365 -8.0913 -8.0050 -7.9594 -7.9421 -7.8659 -7.8268 -7.7902 -7.7847 -7.7540 -7.7320 -7.6398 -7.6340 -6.3240 -6.3139 -6.2413 -6.2246 0.3957 0.4064 1.7279 1.7579 3.1685 3.1847 3.4012 3.4377 3.8127 3.8410 4.1459 4.1632 5.5995 5.6081 8.7319 8.8386 9.0209 9.1188 10.3709 10.4962 10.7356 10.8371 k = 0.6636-0.2118-0.5438 ( 3494 PWs) bands (ev): -8.7979 -8.7768 -8.7375 -8.7283 -8.6917 -8.6661 -8.6366 -8.6364 -8.0862 -8.0041 -7.9558 -7.9383 -7.8657 -7.8287 -7.7910 -7.7850 -7.7537 -7.7321 -7.6414 -7.6362 -6.3649 -6.3550 -6.2796 -6.2635 0.4139 0.4230 1.7929 1.8201 3.1646 3.1786 3.4172 3.4500 3.8895 3.9141 4.2177 4.2341 5.6565 5.6653 8.7135 8.8122 9.0563 9.1553 10.3481 10.4628 10.7358 10.8246 k = 0.6573-0.1991-0.5202 ( 3498 PWs) bands (ev): -8.7942 -8.7733 -8.7340 -8.7241 -8.6908 -8.6674 -8.6367 -8.6364 -8.0810 -8.0030 -7.9521 -7.9345 -7.8655 -7.8306 -7.7918 -7.7854 -7.7533 -7.7323 -7.6430 -7.6385 -6.4056 -6.3960 -6.3179 -6.3026 0.4301 0.4378 1.8542 1.8787 3.1682 3.1798 3.4393 3.4691 3.9661 3.9877 4.2882 4.3038 5.7119 5.7211 8.6853 8.7753 9.0947 9.1956 10.3150 10.4206 10.7435 10.8198 k = 0.6510-0.1864-0.4966 ( 3496 PWs) bands (ev): -8.7905 -8.7698 -8.7307 -8.7199 -8.6899 -8.6686 -8.6366 -8.6363 -8.0754 -8.0016 -7.9482 -7.9306 -7.8653 -7.8324 -7.7925 -7.7859 -7.7529 -7.7325 -7.6447 -7.6409 -6.4461 -6.4369 -6.3561 -6.3416 0.4442 0.4507 1.9105 1.9322 3.1807 3.1902 3.4680 3.4952 4.0418 4.0609 4.3572 4.3720 5.7656 5.7752 8.6487 8.7301 9.1346 9.2381 10.2726 10.3719 10.7568 10.8202 k = 0.6447-0.1738-0.4729 ( 3494 PWs) bands (ev): -8.7868 -8.7663 -8.7274 -8.7156 -8.6888 -8.6698 -8.6365 -8.6362 -8.0695 -7.9999 -7.9442 -7.9265 -7.8651 -7.8342 -7.7933 -7.7864 -7.7525 -7.7327 -7.6464 -7.6434 -6.4862 -6.4774 -6.3942 -6.3804 0.4560 0.4614 1.9606 1.9793 3.2035 3.2109 3.5033 3.5282 4.1162 4.1332 4.4245 4.4385 5.8175 5.8274 8.6046 8.6778 9.1752 9.2820 10.2223 10.3185 10.7746 10.8237 k = 0.6384-0.1611-0.4493 ( 3498 PWs) bands (ev): -8.7830 -8.7629 -8.7242 -8.7115 -8.6877 -8.6710 -8.6363 -8.6360 -8.0634 -7.9979 -7.9400 -7.9224 -7.8649 -7.8360 -7.7940 -7.7870 -7.7521 -7.7329 -7.6481 -7.6459 -6.5259 -6.5174 -6.4320 -6.4190 0.4656 0.4701 2.0032 2.0192 3.2377 3.2430 3.5452 3.5680 4.1889 4.2041 4.4899 4.5031 5.8675 5.8776 8.5538 8.6190 9.2158 9.3265 10.1660 10.2618 10.7960 10.8296 k = 0.6321-0.1485-0.4257 ( 3498 PWs) bands (ev): -8.7791 -8.7595 -8.7211 -8.7075 -8.6865 -8.6721 -8.6361 -8.6358 -8.0569 -7.9957 -7.9357 -7.9182 -7.8647 -7.8377 -7.7948 -7.7876 -7.7516 -7.7331 -7.6499 -7.6485 -6.5650 -6.5569 -6.4693 -6.4571 0.4730 0.4766 2.0379 2.0512 3.2837 3.2871 3.5935 3.6145 4.2596 4.2732 4.5532 4.5656 5.9154 5.9258 8.4968 8.5545 9.2558 9.3712 10.1053 10.2032 10.8183 10.8392 k = 0.6258-0.1358-0.4021 ( 3502 PWs) bands (ev): -8.7752 -8.7562 -8.7182 -8.7036 -8.6853 -8.6732 -8.6359 -8.6356 -8.0501 -7.9930 -7.9312 -7.9140 -7.8645 -7.8394 -7.7955 -7.7882 -7.7511 -7.7333 -7.6518 -7.6510 -6.6033 -6.5956 -6.5061 -6.4947 0.4781 0.4811 2.0645 2.0754 3.3414 3.3432 3.6480 3.6672 4.3281 4.3403 4.6142 4.6258 5.9612 5.9717 8.4340 8.4847 9.2942 9.4152 10.0421 10.1441 10.8342 10.8564 k = 0.6195-0.1231-0.3785 ( 3504 PWs) bands (ev): -8.7713 -8.7531 -8.7152 -8.6998 -8.6841 -8.6742 -8.6357 -8.6352 -8.0430 -7.9900 -7.9266 -7.9097 -7.8643 -7.8410 -7.7962 -7.7889 -7.7506 -7.7334 -7.6540 -7.6534 -6.6408 -6.6335 -6.5422 -6.5316 0.4812 0.4836 2.0835 2.0922 3.4101 3.4108 3.7083 3.7258 4.3941 4.4050 4.6728 4.6836 6.0047 6.0152 8.3658 8.4100 9.3295 9.4567 9.9790 10.0868 10.8435 10.8754 k = 0.6132-0.1105-0.3548 ( 3504 PWs) bands (ev): -8.7674 -8.7501 -8.7124 -8.6962 -8.6828 -8.6751 -8.6355 -8.6348 -8.0356 -7.9866 -7.9219 -7.9055 -7.8640 -7.8425 -7.7969 -7.7896 -7.7501 -7.7337 -7.6566 -7.6554 -6.6774 -6.6704 -6.5775 -6.5677 0.4824 0.4843 2.0956 2.1026 3.4882 3.4895 3.7739 3.7899 4.4574 4.4672 4.7288 4.7388 6.0458 6.0564 8.2926 8.3308 9.3589 9.4918 9.9207 10.0342 10.8495 10.8871 k = 0.6070-0.0978-0.3312 ( 3502 PWs) bands (ev): -8.7635 -8.7472 -8.7096 -8.6929 -8.6817 -8.6760 -8.6353 -8.6343 -8.0278 -7.9828 -7.9171 -7.9012 -7.8638 -7.8439 -7.7975 -7.7904 -7.7496 -7.7339 -7.6593 -7.6574 -6.7129 -6.7063 -6.6118 -6.6028 0.4819 0.4834 2.1020 2.1074 3.5752 3.5772 3.8444 3.8588 4.5178 4.5267 4.7821 4.7914 6.0845 6.0950 8.2147 8.2475 9.3783 9.5126 9.8756 9.9910 10.8526 10.8912 k = 0.6007-0.0852-0.3076 ( 3500 PWs) bands (ev): -8.7597 -8.7445 -8.7069 -8.6898 -8.6807 -8.6766 -8.6350 -8.6338 -8.0197 -7.9787 -7.9122 -7.8970 -7.8636 -7.8453 -7.7982 -7.7911 -7.7491 -7.7342 -7.6620 -7.6595 -6.7472 -6.7409 -6.6451 -6.6369 0.4799 0.4811 2.1036 2.1078 3.6698 3.6725 3.9191 3.9320 4.5754 4.5833 4.8326 4.8412 6.1208 6.1311 8.1323 8.1603 9.3825 9.5074 9.8559 9.9627 10.8526 10.8897 k = 0.5944-0.0725-0.2840 ( 3506 PWs) bands (ev): -8.7559 -8.7420 -8.7042 -8.6870 -8.6799 -8.6770 -8.6348 -8.6334 -8.0113 -7.9741 -7.9073 -7.8928 -7.8633 -7.8466 -7.7988 -7.7919 -7.7486 -7.7346 -7.6647 -7.6616 -6.7801 -6.7743 -6.6773 -6.6699 0.4767 0.4776 2.1017 2.1049 3.7708 3.7741 3.9973 4.0087 4.6299 4.6370 4.8804 4.8883 6.1544 6.1647 8.0458 8.0697 9.3669 9.4705 9.8677 9.9542 10.8495 10.8839 k = 0.5881-0.0598-0.2604 ( 3510 PWs) bands (ev): -8.7522 -8.7397 -8.7015 -8.6846 -8.6795 -8.6768 -8.6345 -8.6329 -8.0026 -7.9691 -7.9024 -7.8888 -7.8631 -7.8478 -7.7993 -7.7927 -7.7481 -7.7350 -7.6674 -7.6638 -6.8117 -6.8062 -6.7082 -6.7015 0.4724 0.4731 2.0970 2.0994 3.8767 3.8805 4.0783 4.0883 4.6815 4.6878 4.9254 4.9326 6.1855 6.1957 7.9556 7.9758 9.3306 9.4089 9.9040 9.9665 10.8435 10.8748 k = 0.5818-0.0472-0.2368 ( 3512 PWs) bands (ev): -8.7486 -8.7375 -8.6989 -8.6827 -8.6792 -8.6762 -8.6342 -8.6325 -7.9937 -7.9638 -7.8975 -7.8849 -7.8628 -7.8489 -7.7998 -7.7935 -7.7477 -7.7356 -7.6700 -7.6661 -6.8416 -6.8365 -6.7378 -6.7318 0.4674 0.4679 2.0904 2.0922 3.9864 3.9906 4.1613 4.1698 4.7301 4.7357 4.9676 4.9741 6.2140 6.2241 7.8619 7.8792 9.2765 9.3332 9.9546 9.9969 10.8352 10.8632 k = 0.5755-0.0345-0.2131 ( 3514 PWs) bands (ev): -8.7452 -8.7355 -8.6964 -8.6819 -8.6783 -8.6754 -8.6340 -8.6322 -7.9845 -7.9581 -7.8928 -7.8812 -7.8624 -7.8500 -7.8003 -7.7944 -7.7473 -7.7364 -7.6725 -7.6685 -6.8699 -6.8651 -6.7659 -6.7606 0.4618 0.4622 2.0825 2.0838 4.0985 4.1032 4.2453 4.2524 4.7758 4.7809 5.0071 5.0129 6.2399 6.2500 7.7653 7.7801 9.2097 9.2499 10.0130 10.0405 10.8253 10.8501 k = 0.5692-0.0219-0.1895 ( 3520 PWs) bands (ev): -8.7419 -8.7337 -8.6940 -8.6819 -8.6768 -8.6745 -8.6337 -8.6320 -7.9751 -7.9521 -7.8881 -7.8778 -7.8621 -7.8509 -7.8007 -7.7952 -7.7471 -7.7373 -7.6749 -7.6709 -6.8964 -6.8919 -6.7924 -6.7877 0.4558 0.4562 2.0739 2.0749 4.2114 4.2168 4.3296 4.3351 4.8190 4.8233 5.0441 5.0492 6.2633 6.2733 7.6662 7.6792 9.1347 9.1629 10.0750 10.0928 10.8148 10.8364 k = 0.5629-0.0092-0.1659 ( 3522 PWs) bands (ev): -8.7388 -8.7320 -8.6918 -8.6821 -8.6753 -8.6736 -8.6335 -8.6318 -7.9656 -7.9458 -7.8837 -7.8748 -7.8616 -7.8518 -7.8010 -7.7961 -7.7469 -7.7384 -7.6772 -7.6733 -6.9210 -6.9168 -6.8172 -6.8131 0.4498 0.4500 2.0650 2.0657 4.3233 4.3297 4.4132 4.4173 4.8597 4.8635 5.0788 5.0832 6.2841 6.2943 7.5653 7.5769 9.0551 9.0747 10.1379 10.1503 10.8047 10.8233 k = 0.5566 0.0035-0.1423 ( 3522 PWs) bands (ev): -8.7360 -8.7305 -8.6897 -8.6823 -8.6739 -8.6727 -8.6333 -8.6317 -7.9561 -7.9394 -7.8796 -7.8720 -7.8612 -7.8527 -7.8012 -7.7969 -7.7469 -7.7398 -7.6792 -7.6758 -6.9435 -6.9397 -6.8402 -6.8366 0.4437 0.4439 2.0562 2.0567 4.4308 4.4390 4.4961 4.4997 4.8983 4.9015 5.1114 5.1153 6.3025 6.3128 7.4632 7.4740 8.9739 8.9873 10.1995 10.2098 10.7961 10.8118 k = 0.5503 0.0161-0.1187 ( 3516 PWs) bands (ev): -8.7334 -8.7291 -8.6878 -8.6825 -8.6726 -8.6719 -8.6332 -8.6318 -7.9467 -7.9329 -7.8758 -7.8697 -7.8606 -7.8535 -7.8014 -7.7977 -7.7471 -7.7414 -7.6811 -7.6781 -6.9640 -6.9604 -6.8613 -6.8581 0.4379 0.4380 2.0477 2.0480 4.5278 4.5374 4.5814 4.5859 4.9351 4.9379 5.1426 5.1459 6.3185 6.3291 7.3612 7.3714 8.8936 8.9025 10.2579 10.2679 10.7903 10.8032 k = 0.5440 0.0288-0.0951 ( 3520 PWs) bands (ev): -8.7312 -8.7279 -8.6862 -8.6825 -8.6715 -8.6710 -8.6331 -8.6319 -7.9375 -7.9264 -7.8725 -7.8678 -7.8601 -7.8542 -7.8014 -7.7984 -7.7475 -7.7431 -7.6827 -7.6804 -6.9821 -6.9790 -6.8802 -6.8775 0.4324 0.4325 2.0397 2.0400 4.6080 4.6158 4.6747 4.6778 4.9706 4.9729 5.1730 5.1757 6.3323 6.3433 7.2603 7.2704 8.8162 8.8220 10.3115 10.3215 10.7884 10.7986 k = 0.5377 0.0414-0.0714 ( 3518 PWs) bands (ev): -8.7293 -8.7268 -8.6849 -8.6825 -8.6705 -8.6701 -8.6331 -8.6320 -7.9288 -7.9200 -7.8697 -7.8663 -7.8595 -7.8549 -7.8013 -7.7991 -7.7482 -7.7451 -7.6841 -7.6824 -6.9980 -6.9952 -6.8970 -6.8946 0.4273 0.4274 2.0326 2.0327 4.6731 4.6786 4.7676 4.7690 5.0048 5.0066 5.2037 5.2059 6.3441 6.3553 7.1624 7.1724 8.7438 8.7474 10.3583 10.3679 10.7914 10.7989 k = 0.5315 0.0541-0.0478 ( 3522 PWs) bands (ev): -8.7276 -8.7259 -8.6838 -8.6825 -8.6696 -8.6693 -8.6332 -8.6322 -7.9206 -7.9140 -7.8674 -7.8651 -7.8590 -7.8557 -7.8012 -7.7996 -7.7490 -7.7470 -7.6854 -7.6842 -7.0115 -7.0090 -6.9114 -6.9094 0.4229 0.4230 2.0263 2.0264 4.7262 4.7299 4.8515 4.8520 5.0373 5.0388 5.2358 5.2374 6.3542 6.3654 7.0696 7.0795 8.6784 8.6805 10.3968 10.4054 10.7994 10.8044 k = 0.5252 0.0668-0.0242 ( 3524 PWs) bands (ev): -8.7263 -8.7251 -8.6830 -8.6823 -8.6688 -8.6686 -8.6332 -8.6325 -7.9133 -7.9084 -7.8657 -7.8642 -7.8587 -7.8565 -7.8010 -7.7999 -7.7501 -7.7489 -7.6864 -7.6857 -7.0225 -7.0205 -6.9234 -6.9217 0.4192 0.4192 2.0210 2.0211 4.7682 4.7707 4.9214 4.9220 5.0671 5.0682 5.2699 5.2710 6.3627 6.3737 6.9849 6.9944 8.6218 8.6230 10.4263 10.4333 10.8113 10.8142 k = 0.5189 0.0794-0.0006 ( 3532 PWs) bands (ev): -8.7253 -8.7244 -8.6825 -8.6822 -8.6681 -8.6680 -8.6333 -8.6327 -7.9070 -7.9035 -7.8643 -7.8634 -7.8587 -7.8574 -7.8008 -7.8001 -7.7511 -7.7505 -7.6872 -7.6869 -7.0311 -7.0295 -6.9328 -6.9315 0.4162 0.4162 2.0168 2.0168 4.7997 4.8013 4.9750 4.9758 5.0926 5.0932 5.3048 5.3053 6.3700 6.3800 6.9120 6.9206 8.5757 8.5764 10.4471 10.4525 10.8250 10.8263 k = 0.5126 0.0921 0.0230 ( 3530 PWs) bands (ev): -8.7246 -8.7240 -8.6821 -8.6820 -8.6676 -8.6676 -8.6333 -8.6329 -7.9022 -7.8998 -7.8632 -7.8625 -7.8592 -7.8584 -7.8006 -7.8002 -7.7521 -7.7518 -7.6878 -7.6877 -7.0371 -7.0360 -6.9395 -6.9386 0.4140 0.4140 2.0137 2.0138 4.8215 4.8224 5.0120 5.0128 5.1120 5.1122 5.3363 5.3365 6.3764 6.3842 6.8554 6.8622 8.5416 8.5420 10.4607 10.4643 10.8375 10.8379 k = 0.5063 0.1047 0.0466 ( 3536 PWs) bands (ev): -8.7241 -8.7238 -8.6819 -8.6819 -8.6673 -8.6673 -8.6333 -8.6331 -7.8988 -7.8976 -7.8620 -7.8617 -7.8599 -7.8595 -7.8005 -7.8002 -7.7527 -7.7526 -7.6881 -7.6881 -7.0406 -7.0401 -6.9434 -6.9430 0.4127 0.4127 2.0119 2.0119 4.8343 4.8347 5.0335 5.0340 5.1241 5.1242 5.3587 5.3587 6.3815 6.3859 6.8197 6.8236 8.5206 8.5208 10.4685 10.4703 10.8462 10.8462 k = 0.5000 0.1174 0.0703 ( 3536 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6333 -8.6333 -7.8973 -7.8973 -7.8608 -7.8608 -7.8608 -7.8608 -7.8003 -7.8003 -7.7529 -7.7529 -7.6883 -7.6883 -7.0416 -7.0416 -6.9446 -6.9446 0.4122 0.4122 2.0113 2.0113 4.8386 4.8386 5.0407 5.0407 5.1282 5.1282 5.3668 5.3668 6.3849 6.3849 6.8088 6.8088 8.5136 8.5136 10.4716 10.4716 10.8493 10.8493 k = 0.5000 0.1174 0.0703 ( 3536 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6333 -8.6333 -7.8973 -7.8973 -7.8608 -7.8608 -7.8608 -7.8608 -7.8003 -7.8003 -7.7529 -7.7529 -7.6883 -7.6883 -7.0416 -7.0416 -6.9446 -6.9446 0.4122 0.4122 2.0113 2.0113 4.8386 4.8386 5.0407 5.0407 5.1282 5.1282 5.3668 5.3668 6.3849 6.3849 6.8088 6.8088 8.5136 8.5136 10.4716 10.4716 10.8493 10.8493 k = 0.4737 0.1112 0.0666 ( 3530 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6332 -8.6332 -7.8973 -7.8973 -7.8608 -7.8608 -7.8608 -7.8608 -7.8003 -7.8003 -7.7529 -7.7529 -7.6883 -7.6883 -7.0442 -7.0442 -6.9420 -6.9420 0.4090 0.4090 2.0172 2.0172 4.8389 4.8389 5.0402 5.0402 5.1284 5.1287 5.3662 5.3665 6.3562 6.3562 6.8365 6.8365 8.5136 8.5136 10.4721 10.4721 10.8497 10.8498 k = 0.4474 0.1050 0.0629 ( 3530 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6332 -8.6332 -7.8973 -7.8973 -7.8608 -7.8608 -7.8608 -7.8608 -7.8003 -7.8003 -7.7526 -7.7526 -7.6883 -7.6883 -7.0512 -7.0512 -6.9349 -6.9349 0.3996 0.3996 2.0345 2.0345 4.8396 4.8396 5.0388 5.0388 5.1292 5.1298 5.3650 5.3656 6.2854 6.2854 6.9042 6.9042 8.5134 8.5134 10.4736 10.4736 10.8513 10.8515 k = 0.4211 0.0989 0.0592 ( 3527 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6332 -8.6332 -7.8974 -7.8974 -7.8608 -7.8608 -7.8608 -7.8607 -7.8004 -7.8004 -7.7521 -7.7521 -7.6883 -7.6883 -7.0612 -7.0612 -6.9249 -6.9249 0.3846 0.3846 2.0627 2.0627 4.8408 4.8408 5.0364 5.0364 5.1307 5.1315 5.3631 5.3640 6.1941 6.1941 6.9904 6.9904 8.5131 8.5131 10.4762 10.4762 10.8539 10.8541 k = 0.3947 0.0927 0.0555 ( 3524 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6332 -8.6332 -7.8974 -7.8974 -7.8608 -7.8607 -7.8607 -7.8607 -7.8004 -7.8004 -7.7515 -7.7515 -7.6883 -7.6883 -7.0728 -7.0728 -6.9131 -6.9131 0.3647 0.3647 2.1009 2.1009 4.8424 4.8424 5.0331 5.0331 5.1327 5.1338 5.3605 5.3616 6.0936 6.0936 7.0840 7.0840 8.5127 8.5127 10.4797 10.4797 10.8574 10.8578 k = 0.3684 0.0865 0.0518 ( 3518 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6332 -8.6332 -7.8975 -7.8975 -7.8608 -7.8607 -7.8607 -7.8607 -7.8004 -7.8004 -7.7507 -7.7507 -7.6883 -7.6883 -7.0851 -7.0851 -6.9006 -6.9006 0.3410 0.3410 2.1478 2.1478 4.8443 4.8443 5.0288 5.0288 5.1354 5.1367 5.3572 5.3586 5.9890 5.9890 7.1798 7.1798 8.5119 8.5119 10.4841 10.4841 10.8619 10.8623 k = 0.3421 0.0803 0.0481 ( 3506 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6332 -8.6332 -7.8976 -7.8976 -7.8608 -7.8607 -7.8606 -7.8606 -7.8004 -7.8004 -7.7498 -7.7498 -7.6883 -7.6883 -7.0977 -7.0977 -6.8879 -6.8879 0.3146 0.3146 2.2022 2.2022 4.8464 4.8464 5.0236 5.0236 5.1386 5.1402 5.3533 5.3550 5.8830 5.8830 7.2755 7.2755 8.5108 8.5108 10.4893 10.4893 10.8672 10.8676 k = 0.3158 0.0741 0.0444 ( 3524 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6331 -8.6331 -7.8977 -7.8977 -7.8608 -7.8607 -7.8606 -7.8606 -7.8005 -7.8005 -7.7488 -7.7488 -7.6883 -7.6883 -7.1102 -7.1102 -6.8752 -6.8752 0.2864 0.2864 2.2628 2.2628 4.8484 4.8484 5.0176 5.0176 5.1424 5.1441 5.3489 5.3507 5.7775 5.7775 7.3694 7.3694 8.5093 8.5093 10.4951 10.4951 10.8731 10.8736 k = 0.2895 0.0680 0.0407 ( 3518 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6331 -8.6331 -7.8979 -7.8979 -7.8608 -7.8607 -7.8605 -7.8605 -7.8005 -7.8005 -7.7477 -7.7477 -7.6884 -7.6883 -7.1222 -7.1222 -6.8629 -6.8629 0.2574 0.2574 2.3280 2.3280 4.8501 4.8501 5.0108 5.0108 5.1466 5.1486 5.3439 5.3460 5.6739 5.6739 7.4607 7.4607 8.5072 8.5072 10.5014 10.5014 10.8796 10.8801 k = 0.2632 0.0618 0.0370 ( 3509 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6331 -8.6331 -7.8980 -7.8980 -7.8607 -7.8607 -7.8604 -7.8604 -7.8006 -7.8006 -7.7466 -7.7466 -7.6884 -7.6883 -7.1338 -7.1338 -6.8512 -6.8512 0.2285 0.2285 2.3967 2.3967 4.8509 4.8509 5.0033 5.0033 5.1513 5.1534 5.3385 5.3408 5.5735 5.5735 7.5485 7.5485 8.5044 8.5044 10.5081 10.5081 10.8864 10.8871 k = 0.2368 0.0556 0.0333 ( 3516 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6330 -8.6330 -7.8981 -7.8981 -7.8607 -7.8607 -7.8604 -7.8604 -7.8006 -7.8006 -7.7454 -7.7454 -7.6884 -7.6883 -7.1446 -7.1446 -6.8401 -6.8401 0.2004 0.2004 2.4673 2.4673 4.8501 4.8501 4.9955 4.9955 5.1564 5.1586 5.3328 5.3352 5.4778 5.4778 7.6321 7.6321 8.5008 8.5008 10.5150 10.5150 10.8935 10.8942 k = 0.2105 0.0494 0.0296 ( 3522 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6330 -8.6330 -7.8982 -7.8982 -7.8607 -7.8607 -7.8603 -7.8603 -7.8007 -7.8007 -7.7443 -7.7443 -7.6884 -7.6883 -7.1547 -7.1547 -6.8299 -6.8299 0.1738 0.1738 2.5384 2.5384 4.8464 4.8464 4.9879 4.9879 5.1617 5.1640 5.3269 5.3293 5.3887 5.3887 7.7108 7.7108 8.4963 8.4963 10.5219 10.5219 10.9007 10.9013 k = 0.1842 0.0432 0.0259 ( 3516 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6330 -8.6330 -7.8984 -7.8984 -7.8607 -7.8607 -7.8602 -7.8602 -7.8007 -7.8007 -7.7431 -7.7431 -7.6884 -7.6884 -7.1637 -7.1637 -6.8207 -6.8207 0.1492 0.1492 2.6085 2.6085 4.8383 4.8383 4.9814 4.9814 5.1672 5.1696 5.3082 5.3082 5.3208 5.3233 7.7840 7.7840 8.4908 8.4908 10.5286 10.5286 10.9076 10.9082 k = 0.1579 0.0371 0.0222 ( 3516 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6330 -8.6330 -7.8985 -7.8985 -7.8607 -7.8607 -7.8602 -7.8602 -7.8007 -7.8007 -7.7421 -7.7421 -7.6884 -7.6884 -7.1718 -7.1718 -6.8125 -6.8125 0.1270 0.1270 2.6757 2.6757 4.8242 4.8242 4.9770 4.9770 5.1728 5.1752 5.2381 5.2381 5.3148 5.3172 7.8510 7.8510 8.4844 8.4844 10.5349 10.5349 10.9142 10.9147 k = 0.1316 0.0309 0.0185 ( 3516 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8986 -7.8986 -7.8607 -7.8606 -7.8601 -7.8601 -7.8008 -7.8008 -7.7411 -7.7411 -7.6884 -7.6884 -7.1788 -7.1788 -6.8054 -6.8054 0.1077 0.1077 2.7381 2.7381 4.8037 4.8037 4.9755 4.9755 5.1783 5.1799 5.1799 5.1806 5.3089 5.3113 7.9108 7.9108 8.4771 8.4771 10.5406 10.5406 10.9202 10.9207 k = 0.1053 0.0247 0.0148 ( 3510 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8986 -7.8986 -7.8607 -7.8606 -7.8601 -7.8601 -7.8008 -7.8008 -7.7402 -7.7402 -7.6884 -7.6884 -7.1846 -7.1846 -6.7995 -6.7995 0.0914 0.0914 2.7938 2.7938 4.7783 4.7783 4.9770 4.9770 5.1338 5.1338 5.1835 5.1856 5.3036 5.3057 7.9626 7.9626 8.4693 8.4693 10.5456 10.5456 10.9254 10.9258 k = 0.0789 0.0185 0.0111 ( 3519 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8987 -7.8987 -7.8607 -7.8606 -7.8601 -7.8601 -7.8008 -7.8008 -7.7396 -7.7396 -7.6884 -7.6884 -7.1891 -7.1891 -6.7949 -6.7949 0.0786 0.0786 2.8404 2.8404 4.7518 4.7518 4.9811 4.9811 5.0987 5.0987 5.1882 5.1899 5.2990 5.3008 8.0052 8.0052 8.4616 8.4616 10.5496 10.5496 10.9297 10.9300 k = 0.0526 0.0124 0.0074 ( 3519 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8988 -7.8988 -7.8607 -7.8606 -7.8600 -7.8600 -7.8008 -7.8008 -7.7391 -7.7391 -7.6884 -7.6884 -7.1924 -7.1924 -6.7915 -6.7915 0.0693 0.0693 2.8756 2.8756 4.7286 4.7286 4.9869 4.9869 5.0731 5.0731 5.1919 5.1932 5.2955 5.2968 8.0372 8.0372 8.4549 8.4549 10.5526 10.5526 10.9329 10.9331 k = 0.0263 0.0062 0.0037 ( 3513 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8988 -7.8988 -7.8607 -7.8606 -7.8600 -7.8600 -7.8008 -7.8008 -7.7388 -7.7388 -7.6884 -7.6884 -7.1944 -7.1944 -6.7895 -6.7895 0.0637 0.0637 2.8977 2.8977 4.7128 4.7128 4.9927 4.9927 5.0563 5.0563 5.1945 5.1952 5.2934 5.2940 8.0572 8.0572 8.4503 8.4503 10.5545 10.5545 10.9349 10.9350 k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8988 -7.8988 -7.8607 -7.8607 -7.8600 -7.8600 -7.8008 -7.8008 -7.7387 -7.7387 -7.6884 -7.6884 -7.1951 -7.1951 -6.7888 -6.7888 0.0618 0.0618 2.9052 2.9052 4.7073 4.7073 4.9955 4.9955 5.0501 5.0501 5.1957 5.1957 5.2929 5.2929 8.0640 8.0640 8.4486 8.4486 10.5551 10.5551 10.9356 10.9356 k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6329 -8.6329 -7.8988 -7.8988 -7.8607 -7.8607 -7.8600 -7.8600 -7.8008 -7.8008 -7.7387 -7.7387 -7.6884 -7.6884 -7.1951 -7.1951 -6.7888 -6.7888 0.0618 0.0618 2.9052 2.9052 4.7073 4.7073 4.9955 4.9955 5.0501 5.0501 5.1957 5.1957 5.2929 5.2929 8.0640 8.0640 8.4486 8.4486 10.5551 10.5551 10.9356 10.9356 k = 0.0063-0.0127-0.0236 ( 3515 PWs) bands (ev): -8.7240 -8.7238 -8.6819 -8.6819 -8.6673 -8.6673 -8.6330 -8.6328 -7.9001 -7.8991 -7.8615 -7.8613 -7.8596 -7.8591 -7.8009 -7.8008 -7.7386 -7.7385 -7.6883 -7.6883 -7.1937 -7.1935 -6.7877 -6.7876 0.0627 0.0627 2.9034 2.9035 4.7026 4.7029 4.9851 4.9895 5.0504 5.0547 5.1929 5.1930 5.2915 5.2915 8.0670 8.0693 8.4559 8.4573 10.5500 10.5540 10.9314 10.9316 k = 0.0126-0.0253-0.0472 ( 3517 PWs) bands (ev): -8.7245 -8.7240 -8.6821 -8.6820 -8.6676 -8.6676 -8.6330 -8.6327 -7.9028 -7.9010 -7.8627 -7.8623 -7.8591 -7.8582 -7.8008 -7.8007 -7.7384 -7.7382 -7.6880 -7.6878 -7.1893 -7.1888 -6.7841 -6.7839 0.0653 0.0653 2.8980 2.8980 4.6885 4.6891 4.9635 4.9699 5.0533 5.0593 5.1848 5.1853 5.2875 5.2876 8.0780 8.0825 8.4790 8.4818 10.5380 10.5462 10.9198 10.9207 k = 0.0189-0.0380-0.0708 ( 3511 PWs) bands (ev): -8.7251 -8.7244 -8.6824 -8.6822 -8.6681 -8.6680 -8.6330 -8.6326 -7.9070 -7.9042 -7.8638 -7.8634 -7.8590 -7.8573 -7.8008 -7.8005 -7.7382 -7.7377 -7.6875 -7.6870 -7.1819 -7.1812 -6.7781 -6.7778 0.0697 0.0697 2.8888 2.8889 4.6642 4.6652 4.9351 4.9423 5.0539 5.0600 5.1721 5.1737 5.2814 5.2819 8.0966 8.1031 8.5171 8.5210 10.5175 10.5300 10.9034 10.9059 k = 0.0252-0.0506-0.0944 ( 3513 PWs) bands (ev): -8.7261 -8.7250 -8.6830 -8.6823 -8.6687 -8.6685 -8.6331 -8.6325 -7.9125 -7.9084 -7.8652 -7.8647 -7.8592 -7.8564 -7.8008 -7.8001 -7.7382 -7.7370 -7.6868 -7.6859 -7.1716 -7.1707 -6.7697 -6.7693 0.0759 0.0759 2.8758 2.8760 4.6286 4.6300 4.9024 4.9100 5.0500 5.0553 5.1556 5.1592 5.2743 5.2753 8.1220 8.1303 8.5688 8.5737 10.4863 10.5027 10.8862 10.8912 k = 0.0314-0.0633-0.1180 ( 3515 PWs) bands (ev): -8.7273 -8.7258 -8.6837 -8.6825 -8.6696 -8.6692 -8.6331 -8.6324 -7.9190 -7.9133 -7.8671 -7.8660 -7.8597 -7.8557 -7.8009 -7.7996 -7.7382 -7.7361 -7.6859 -7.6843 -7.1585 -7.1574 -6.7590 -6.7585 0.0837 0.0837 2.8589 2.8591 4.5809 4.5828 4.8670 4.8752 5.0406 5.0448 5.1362 5.1428 5.2671 5.2690 8.1532 8.1629 8.6326 8.6382 10.4427 10.4623 10.8725 10.8802 k = 0.0377-0.0759-0.1416 ( 3515 PWs) bands (ev): -8.7289 -8.7267 -8.6847 -8.6827 -8.6705 -8.6700 -8.6332 -8.6323 -7.9264 -7.9187 -7.8697 -7.8675 -7.8603 -7.8549 -7.8008 -7.7989 -7.7384 -7.7352 -7.6849 -7.6825 -7.1427 -7.1414 -6.7461 -6.7454 0.0931 0.0932 2.8378 2.8382 4.5212 4.5235 4.8303 4.8391 5.0255 5.0289 5.1145 5.1245 5.2609 5.2641 8.1888 8.1999 8.7065 8.7127 10.3867 10.4083 10.8646 10.8748 k = 0.0440-0.0886-0.1652 ( 3517 PWs) bands (ev): -8.7308 -8.7278 -8.6859 -8.6827 -8.6716 -8.6709 -8.6333 -8.6323 -7.9344 -7.9244 -7.8729 -7.8693 -7.8609 -7.8542 -7.8008 -7.7982 -7.7388 -7.7343 -7.6836 -7.6805 -7.1244 -7.1229 -6.7309 -6.7302 0.1042 0.1042 2.8123 2.8130 4.4503 4.4528 4.7927 4.8026 5.0052 5.0083 5.0905 5.1038 5.2565 5.2612 8.2274 8.2399 8.7886 8.7952 10.3195 10.3421 10.8632 10.8755 k = 0.0503-0.1012-0.1889 ( 3513 PWs) bands (ev): -8.7330 -8.7290 -8.6874 -8.6828 -8.6728 -8.6719 -8.6335 -8.6324 -7.9428 -7.9302 -7.8767 -7.8715 -7.8615 -7.8534 -7.8007 -7.7974 -7.7394 -7.7335 -7.6821 -7.6782 -7.1037 -7.1019 -6.7137 -6.7129 0.1167 0.1168 2.7824 2.7834 4.3698 4.3725 4.7545 4.7661 4.9806 4.9839 5.0639 5.0803 5.2544 5.2609 8.2679 8.2818 8.8769 8.8840 10.2435 10.2662 10.8672 10.8812 k = 0.0566-0.1139-0.2125 ( 3515 PWs) bands (ev): -8.7355 -8.7303 -8.6891 -8.6827 -8.6740 -8.6729 -8.6337 -8.6324 -7.9514 -7.9362 -7.8809 -7.8741 -7.8620 -7.8526 -7.8005 -7.7966 -7.7400 -7.7329 -7.6805 -7.6759 -7.0808 -7.0786 -6.6945 -6.6935 0.1308 0.1309 2.7478 2.7492 4.2815 4.2842 4.7160 4.7301 4.9526 4.9562 5.0344 5.0536 5.2547 5.2630 8.3088 8.3243 8.9696 8.9772 10.1610 10.1835 10.8752 10.8908 k = 0.0629-0.1265-0.2361 ( 3503 PWs) bands (ev): -8.7383 -8.7317 -8.6910 -8.6827 -8.6755 -8.6739 -8.6340 -8.6326 -7.9602 -7.9421 -7.8854 -7.8771 -7.8624 -7.8518 -7.8003 -7.7958 -7.7407 -7.7323 -7.6785 -7.6735 -7.0557 -7.0531 -6.6734 -6.6723 0.1461 0.1462 2.7084 2.7104 4.1872 4.1899 4.6776 4.6948 4.9214 4.9258 5.0016 5.0236 5.2573 5.2675 8.3489 8.3663 9.0648 9.0731 10.0744 10.0964 10.8855 10.9027 k = 0.0692-0.1392-0.2597 ( 3505 PWs) bands (ev): -8.7413 -8.7333 -8.6931 -8.6827 -8.6769 -8.6750 -8.6343 -8.6328 -7.9690 -7.9480 -7.8903 -7.8805 -7.8627 -7.8509 -7.8000 -7.7950 -7.7415 -7.7319 -7.6764 -7.6712 -7.0288 -7.0256 -6.6504 -6.6492 0.1627 0.1629 2.6643 2.6669 4.0885 4.0911 4.6397 4.6607 4.8872 4.8931 4.9654 4.9905 5.2619 5.2739 8.3871 8.4069 9.1608 9.1700 9.9856 10.0072 10.8967 10.9155 k = 0.0755-0.1518-0.2833 ( 3501 PWs) bands (ev): -8.7446 -8.7350 -8.6954 -8.6830 -8.6784 -8.6759 -8.6346 -8.6331 -7.9777 -7.9536 -7.8953 -7.8842 -7.8631 -7.8499 -7.7996 -7.7942 -7.7423 -7.7316 -7.6741 -7.6688 -6.9999 -6.9961 -6.6258 -6.6243 0.1803 0.1806 2.6154 2.6188 3.9869 3.9893 4.6029 4.6283 4.8501 4.8579 4.9258 4.9546 5.2682 5.2821 8.4227 8.4452 9.2559 9.2662 9.8965 9.9176 10.9073 10.9279 k = 0.0817-0.1645-0.3069 ( 3499 PWs) bands (ev): -8.7480 -8.7369 -8.6979 -8.6840 -8.6795 -8.6767 -8.6349 -8.6335 -7.9862 -7.9591 -7.9004 -7.8881 -7.8633 -7.8488 -7.7992 -7.7934 -7.7431 -7.7315 -7.6716 -7.6666 -6.9694 -6.9649 -6.5996 -6.5979 0.1989 0.1993 2.5620 2.5662 3.8836 3.8858 4.5674 4.5979 4.8102 4.8201 4.8829 4.9161 5.2760 5.2916 8.4548 8.4804 9.3481 9.3599 9.8091 9.8297 10.9162 10.9385 k = 0.0880-0.1772-0.3305 ( 3497 PWs) bands (ev): -8.7517 -8.7390 -8.7004 -8.6858 -8.6804 -8.6771 -8.6352 -8.6339 -7.9946 -7.9642 -7.9055 -7.8923 -7.8636 -7.8477 -7.7987 -7.7926 -7.7438 -7.7314 -7.6690 -7.6644 -6.9373 -6.9321 -6.5720 -6.5699 0.2182 0.2187 2.5041 2.5094 3.7797 3.7817 4.5333 4.5700 4.7676 4.7794 4.8367 4.8757 5.2848 5.3022 8.4829 8.5120 9.4336 9.4477 9.7267 9.7466 10.9221 10.9463 k = 0.0943-0.1898-0.3541 ( 3501 PWs) bands (ev): -8.7554 -8.7412 -8.7031 -8.6883 -8.6814 -8.6770 -8.6354 -8.6343 -8.0028 -7.9690 -7.9107 -7.8966 -7.8638 -7.8465 -7.7982 -7.7918 -7.7446 -7.7314 -7.6663 -7.6622 -6.9038 -6.8977 -6.5430 -6.5406 0.2382 0.2388 2.4422 2.4487 3.6763 3.6780 4.5005 4.5446 4.7223 4.7356 4.7875 4.8341 5.2944 5.3136 8.5068 8.5395 9.4995 9.5181 9.6626 9.6790 10.9245 10.9506 k = 0.1006-0.2025-0.3777 ( 3497 PWs) bands (ev): -8.7593 -8.7436 -8.7058 -8.6910 -8.6825 -8.6766 -8.6357 -8.6347 -8.0107 -7.9735 -7.9157 -7.9010 -7.8641 -7.8452 -7.7977 -7.7911 -7.7454 -7.7314 -7.6636 -7.6601 -6.8689 -6.8620 -6.5127 -6.5100 0.2584 0.2593 2.3766 2.3844 3.5741 3.5756 4.4686 4.5216 4.6742 4.6884 4.7356 4.7921 5.3046 5.3255 8.5261 8.5628 9.4971 9.5218 9.6650 9.6759 10.9228 10.9508 k = 0.1069-0.2151-0.4013 ( 3501 PWs) bands (ev): -8.7632 -8.7461 -8.7087 -8.6941 -8.6837 -8.6759 -8.6359 -8.6351 -8.0183 -7.9777 -7.9208 -7.9055 -7.8643 -7.8438 -7.7971 -7.7904 -7.7461 -7.7314 -7.6608 -7.6581 -6.8328 -6.8249 -6.4813 -6.4782 0.2787 0.2798 2.3079 2.3170 3.4740 3.4753 4.4366 4.5005 4.6235 4.6376 4.6817 4.7510 5.3150 5.3376 8.5410 8.5817 9.4360 9.4623 9.7219 9.7352 10.9172 10.9471 k = 0.1132-0.2278-0.4249 ( 3501 PWs) bands (ev): -8.7673 -8.7488 -8.7116 -8.6975 -8.6850 -8.6751 -8.6361 -8.6355 -8.0257 -7.9815 -7.9257 -7.9100 -7.8645 -7.8424 -7.7965 -7.7896 -7.7468 -7.7314 -7.6580 -7.6562 -6.7956 -6.7868 -6.4489 -6.4454 0.2989 0.3003 2.2364 2.2470 3.3768 3.3780 4.4036 4.4798 4.5702 4.5830 4.6273 4.7120 5.3253 5.3497 8.5514 8.5962 9.3648 9.3920 9.7860 9.8019 10.9083 10.9401 k = 0.1195-0.2404-0.4485 ( 3499 PWs) bands (ev): -8.7713 -8.7516 -8.7147 -8.7010 -8.6863 -8.6742 -8.6363 -8.6359 -8.0328 -7.9850 -7.9304 -7.9145 -7.8647 -7.8409 -7.7958 -7.7889 -7.7475 -7.7315 -7.6553 -7.6542 -6.7573 -6.7475 -6.4156 -6.4116 0.3185 0.3203 2.1627 2.1750 3.2831 3.2844 4.3682 4.4561 4.5143 4.5246 4.5757 4.6765 5.3352 5.3615 8.5576 8.6066 9.2943 9.3226 9.8453 9.8638 10.8973 10.9308 k = 0.1258-0.2531-0.4721 ( 3499 PWs) bands (ev): -8.7754 -8.7546 -8.7179 -8.7047 -8.6876 -8.6732 -8.6364 -8.6361 -8.0396 -7.9881 -7.9351 -7.9189 -7.8648 -7.8393 -7.7952 -7.7883 -7.7481 -7.7315 -7.6526 -7.6522 -6.7181 -6.7074 -6.3815 -6.3771 0.3373 0.3395 2.0874 2.1014 3.1937 3.1953 4.3290 4.4227 4.4558 4.4629 4.5340 4.6456 5.3445 5.3726 8.5599 8.6132 9.2269 9.2564 9.8962 9.9175 10.8857 10.9207 k = 0.1321-0.2657-0.4957 ( 3501 PWs) bands (ev): -8.7794 -8.7577 -8.7211 -8.7086 -8.6888 -8.6722 -8.6366 -8.6363 -8.0461 -7.9909 -7.9395 -7.9233 -7.8650 -7.8377 -7.7945 -7.7876 -7.7488 -7.7315 -7.6506 -7.6497 -6.6781 -6.6664 -6.3467 -6.3418 0.3548 0.3575 2.0110 2.0268 3.1093 3.1112 4.2851 4.3748 4.3938 4.3982 4.5076 4.6199 5.3529 5.3828 8.5586 8.6161 9.1637 9.1943 9.9365 9.9608 10.8754 10.9116 k = 0.1383-0.2784-0.5193 ( 3501 PWs) bands (ev): -8.7835 -8.7608 -8.7246 -8.7125 -8.6899 -8.6711 -8.6368 -8.6364 -8.0524 -7.9933 -7.9438 -7.9276 -7.8652 -7.8360 -7.7938 -7.7870 -7.7494 -7.7315 -7.6488 -7.6470 -6.6374 -6.6248 -6.3114 -6.3061 0.3707 0.3741 1.9340 1.9517 3.0306 3.0328 4.2358 4.3158 4.3281 4.3313 4.4932 4.5997 5.3601 5.3918 8.5541 8.6159 9.1053 9.1368 9.9644 9.9918 10.8682 10.9055 k = 0.1446-0.2910-0.5430 ( 3501 PWs) bands (ev): -8.7875 -8.7640 -8.7281 -8.7166 -8.6910 -8.6699 -8.6369 -8.6365 -8.0585 -7.9955 -7.9479 -7.9319 -7.8654 -7.8342 -7.7930 -7.7864 -7.7499 -7.7314 -7.6471 -7.6444 -6.5961 -6.5825 -6.2757 -6.2699 0.3846 0.3888 1.8569 1.8767 2.9582 2.9608 4.1810 4.2493 4.2602 4.2631 4.4856 4.5844 5.3657 5.3992 8.5467 8.6130 9.0519 9.0843 9.9788 10.0093 10.8653 10.9039 k = 0.1509-0.3037-0.5666 ( 3502 PWs) bands (ev): -8.7915 -8.7673 -8.7317 -8.7207 -8.6919 -8.6688 -8.6370 -8.6365 -8.0643 -7.9974 -7.9519 -7.9359 -7.8655 -7.8324 -7.7923 -7.7859 -7.7505 -7.7314 -7.6454 -7.6419 -6.5543 -6.5399 -6.2397 -6.2335 0.3961 0.4012 1.7802 1.8022 2.8929 2.8956 4.1209 4.1774 4.1909 4.1944 4.4818 4.5735 5.3696 5.4049 8.5370 8.6076 9.0040 9.0368 9.9792 10.0126 10.8661 10.9080 k = 0.1572-0.3163-0.5902 ( 3510 PWs) bands (ev): -8.7954 -8.7706 -8.7354 -8.7248 -8.6928 -8.6675 -8.6370 -8.6365 -8.0698 -7.9990 -7.9556 -7.9399 -7.8657 -7.8305 -7.7916 -7.7854 -7.7510 -7.7313 -7.6437 -7.6394 -6.5122 -6.4968 -6.2036 -6.1969 0.4048 0.4110 1.7044 1.7286 2.8350 2.8380 4.0557 4.1021 4.1206 4.1250 4.4805 4.5661 5.3714 5.4085 8.5253 8.6003 8.9616 8.9945 9.9660 10.0022 10.8681 10.9190 k = 0.1635-0.3290-0.6138 ( 3512 PWs) bands (ev): -8.7992 -8.7739 -8.7391 -8.7289 -8.6935 -8.6663 -8.6370 -8.6364 -8.0752 -8.0004 -7.9592 -7.9438 -7.8659 -7.8286 -7.7908 -7.7849 -7.7515 -7.7312 -7.6420 -7.6370 -6.4698 -6.4536 -6.1675 -6.1603 0.4104 0.4179 1.6298 1.6564 2.7853 2.7884 3.9859 4.0246 4.0499 4.0544 4.4808 4.5615 5.3710 5.4098 8.5121 8.5913 8.9249 8.9575 9.9407 9.9794 10.8676 10.9378 k = 0.1698-0.3417-0.6374 ( 3506 PWs) bands (ev): -8.8029 -8.7772 -8.7429 -8.7330 -8.6942 -8.6650 -8.6370 -8.6363 -8.0803 -8.0016 -7.9625 -7.9475 -7.8661 -7.8267 -7.7900 -7.7845 -7.7520 -7.7311 -7.6404 -7.6347 -6.4273 -6.4103 -6.1315 -6.1238 0.4126 0.4216 1.5569 1.5859 2.7439 2.7471 3.9124 3.9455 3.9791 3.9828 4.4821 4.5589 5.3680 5.4086 8.4978 8.5811 8.8938 8.9260 9.9050 9.9461 10.8631 10.9616 k = 0.1761-0.3543-0.6610 ( 3506 PWs) bands (ev): -8.8066 -8.7805 -8.7467 -8.7371 -8.6947 -8.6637 -8.6370 -8.6362 -8.0853 -8.0027 -7.9657 -7.9511 -7.8662 -7.8248 -7.7893 -7.7842 -7.7524 -7.7310 -7.6389 -7.6325 -6.3849 -6.3671 -6.0957 -6.0877 0.4113 0.4220 1.4860 1.5176 2.7113 2.7145 3.8360 3.8653 3.9082 3.9102 4.4841 4.5577 5.3623 5.4046 8.4828 8.5701 8.8682 8.8997 9.8613 9.9047 10.8555 10.9559 k = 0.1824-0.3670-0.6846 ( 3504 PWs) bands (ev): -8.8101 -8.7837 -8.7504 -8.7410 -8.6952 -8.6623 -8.6370 -8.6360 -8.0900 -8.0035 -7.9687 -7.9545 -7.8664 -7.8228 -7.7885 -7.7839 -7.7527 -7.7309 -7.6373 -7.6304 -6.3426 -6.3240 -6.0604 -6.0520 0.4064 0.4190 1.4175 1.4518 2.6874 2.6908 3.7576 3.7844 3.8368 3.8374 4.4862 4.5574 5.3538 5.3976 8.4677 8.5585 8.8477 8.8789 9.8114 9.8573 10.8460 10.9439 k = 0.1887-0.3796-0.7082 ( 3504 PWs) bands (ev): -8.8135 -8.7869 -8.7540 -8.7449 -8.6956 -8.6610 -8.6370 -8.6357 -8.0946 -8.0042 -7.9715 -7.9578 -7.8666 -7.8208 -7.7877 -7.7838 -7.7530 -7.7308 -7.6359 -7.6284 -6.3005 -6.2813 -6.0256 -6.0169 0.3981 0.4127 1.3517 1.3887 2.6723 2.6760 3.6780 3.7030 3.7632 3.7660 4.4883 4.5575 5.3423 5.3876 8.4527 8.5470 8.8319 8.8632 9.7573 9.8060 10.8353 10.9321 k = 0.1949-0.3923-0.7318 ( 3508 PWs) bands (ev): -8.8167 -8.7900 -8.7576 -8.7487 -8.6959 -8.6596 -8.6370 -8.6354 -8.0990 -8.0048 -7.9741 -7.9610 -7.8667 -7.8188 -7.7870 -7.7837 -7.7533 -7.7307 -7.6344 -7.6265 -6.2589 -6.2390 -5.9916 -5.9825 0.3864 0.4033 1.2888 1.3287 2.6656 2.6701 3.5979 3.6215 3.6894 3.6948 4.4899 4.5576 5.3277 5.3745 8.4383 8.5357 8.8202 8.8525 9.7006 9.7525 10.8236 10.9204 k = 0.2012-0.4049-0.7554 ( 3500 PWs) bands (ev): -8.8198 -8.7931 -8.7610 -8.7524 -8.6962 -8.6582 -8.6370 -8.6351 -8.1032 -8.0054 -7.9765 -7.9640 -7.8669 -7.8168 -7.7862 -7.7838 -7.7535 -7.7306 -7.6331 -7.6247 -6.2179 -6.1974 -5.9584 -5.9489 0.3718 0.3911 1.2291 1.2719 2.6671 2.6727 3.5176 3.5402 3.6158 3.6238 4.4909 4.5573 5.3101 5.3582 8.4249 8.5249 8.8119 8.8464 9.6429 9.6984 10.8110 10.9086 k = 0.2075-0.4176-0.7790 ( 3500 PWs) bands (ev): -8.8228 -8.7961 -8.7642 -8.7559 -8.6964 -8.6568 -8.6370 -8.6347 -8.1072 -8.0058 -7.9788 -7.9669 -7.8670 -7.8149 -7.7855 -7.7839 -7.7536 -7.7305 -7.6317 -7.6230 -6.1776 -6.1566 -5.9262 -5.9164 0.3547 0.3765 1.1729 1.2187 2.6762 2.6833 3.4378 3.4594 3.5426 3.5531 4.4909 4.5563 5.2894 5.3388 8.4126 8.5150 8.8064 8.8445 9.5854 9.6454 10.7974 10.8961 k = 0.2138-0.4302-0.8026 ( 3504 PWs) bands (ev): -8.8256 -8.7991 -8.7673 -8.7593 -8.6966 -8.6554 -8.6370 -8.6343 -8.1112 -8.0062 -7.9808 -7.9697 -7.8672 -7.8129 -7.7848 -7.7841 -7.7537 -7.7305 -7.6305 -7.6214 -6.1382 -6.1166 -5.8951 -5.8851 0.3355 0.3600 1.1202 1.1692 2.6923 2.7015 3.3590 3.3795 3.4703 3.4832 4.4898 4.5543 5.2657 5.3164 8.4016 8.5059 8.8029 8.8459 9.5297 9.5948 10.7825 10.8827 k = 0.2201-0.4429-0.8262 ( 3502 PWs) bands (ev): -8.8282 -8.8019 -8.7702 -8.7625 -8.6968 -8.6540 -8.6371 -8.6339 -8.1149 -8.0066 -7.9827 -7.9723 -7.8673 -7.8110 -7.7846 -7.7840 -7.7537 -7.7305 -7.6293 -7.6199 -6.0998 -6.0778 -5.8652 -5.8550 0.3148 0.3421 1.0713 1.1236 2.7145 2.7265 3.2816 3.3007 3.3992 3.4143 4.4874 4.5510 5.2392 5.2910 8.3920 8.4975 8.8007 8.8498 9.4771 9.5482 10.7661 10.8680 k = 0.2264-0.4555-0.8498 ( 3504 PWs) bands (ev): -8.8307 -8.8047 -8.7729 -8.7655 -8.6969 -8.6525 -8.6371 -8.6335 -8.1185 -8.0070 -7.9844 -7.9747 -7.8674 -7.8091 -7.7850 -7.7834 -7.7536 -7.7305 -7.6282 -7.6186 -6.0625 -6.0401 -5.8368 -5.8264 0.2932 0.3233 1.0264 1.0820 2.7416 2.7574 3.2066 3.2234 3.3299 3.3469 4.4834 4.5463 5.2101 5.2628 8.3835 8.4897 8.7988 8.8552 9.4292 9.5069 10.7481 10.8517 k = 0.2327-0.4682-0.8734 ( 3496 PWs) bands (ev): -8.8330 -8.8074 -8.7754 -8.7683 -8.6970 -8.6511 -8.6371 -8.6330 -8.1220 -8.0074 -7.9859 -7.9770 -7.8675 -7.8072 -7.7856 -7.7827 -7.7535 -7.7305 -7.6271 -7.6173 -6.0266 -6.0038 -5.8099 -5.7993 0.2712 0.3041 0.9854 1.0445 2.7716 2.7929 3.1351 3.1483 3.2629 3.2817 4.4777 4.5399 5.1785 5.2322 8.3761 8.4821 8.7965 8.8608 9.3876 9.4726 10.7285 10.8337 k = 0.2390-0.4808-0.8971 ( 3498 PWs) bands (ev): -8.8351 -8.8099 -8.7776 -8.7709 -8.6970 -8.6497 -8.6371 -8.6326 -8.1253 -8.0078 -7.9872 -7.9792 -7.8675 -7.8053 -7.7863 -7.7821 -7.7534 -7.7306 -7.6262 -7.6161 -5.9921 -5.9689 -5.7846 -5.7739 0.2493 0.2851 0.9485 1.0110 2.8009 2.8308 3.0685 3.0777 3.1990 3.2200 4.4702 4.5317 5.1446 5.1992 8.3693 8.4740 8.7929 8.8653 9.3541 9.4463 10.7074 10.8142 k = 0.2452-0.4935-0.9207 ( 3496 PWs) bands (ev): -8.8371 -8.8124 -8.7797 -8.7733 -8.6971 -8.6484 -8.6372 -8.6321 -8.1284 -8.0083 -7.9883 -7.9812 -7.8676 -7.8035 -7.7870 -7.7815 -7.7532 -7.7308 -7.6253 -7.6151 -5.9591 -5.9357 -5.7611 -5.7502 0.2280 0.2666 0.9157 0.9818 2.8210 2.8659 3.0024 3.0255 3.1387 3.1655 4.4609 4.5216 5.1089 5.1643 8.3627 8.4648 8.7878 8.8676 9.3303 9.4290 10.6852 10.7933 k = 0.2515-0.5062-0.9443 ( 3490 PWs) bands (ev): -8.8389 -8.8147 -8.7816 -8.7755 -8.6971 -8.6470 -8.6372 -8.6317 -8.1315 -8.0089 -7.9892 -7.9830 -7.8675 -7.8018 -7.7879 -7.7809 -7.7530 -7.7309 -7.6245 -7.6141 -5.9279 -5.9042 -5.7394 -5.7284 0.2076 0.2492 0.8869 0.9566 2.8160 2.8820 2.9419 3.0096 3.0821 3.1271 4.4496 4.5094 5.0715 5.1277 8.3557 8.4537 8.7811 8.8670 9.3174 9.4210 10.6624 10.7716 k = 0.2578-0.5188-0.9679 ( 3482 PWs) bands (ev): -8.8405 -8.8169 -8.7833 -8.7775 -8.6971 -8.6457 -8.6372 -8.6312 -8.1343 -8.0095 -7.9900 -7.9847 -7.8675 -7.8001 -7.7887 -7.7803 -7.7527 -7.7311 -7.6237 -7.6133 -5.8985 -5.8745 -5.7195 -5.7085 0.1886 0.2330 0.8620 0.9354 2.7805 2.8493 2.9063 3.0136 3.0484 3.1180 4.4363 4.4952 5.0329 5.0898 8.3475 8.4399 8.7735 8.8638 9.3155 9.4221 10.6395 10.7496 k = 0.2641-0.5315-0.9915 ( 3486 PWs) bands (ev): -8.8419 -8.8190 -8.7848 -8.7792 -8.6971 -8.6445 -8.6372 -8.6308 -8.1370 -8.0101 -7.9908 -7.9861 -7.8675 -7.7984 -7.7897 -7.7798 -7.7525 -7.7314 -7.6231 -7.6125 -5.8709 -5.8468 -5.7017 -5.6905 0.1712 0.2184 0.8411 0.9181 2.7299 2.7915 2.8741 2.9668 3.0884 3.1406 4.4210 4.4789 4.9933 5.0510 8.3377 8.4230 8.7657 8.8588 9.3238 9.4315 10.6174 10.7282 k = 0.2704-0.5441-1.0151 ( 3490 PWs) bands (ev): -8.8432 -8.8209 -8.7862 -8.7807 -8.6971 -8.6433 -8.6372 -8.6304 -8.1396 -8.0108 -7.9915 -7.9872 -7.8674 -7.7969 -7.7906 -7.7793 -7.7522 -7.7317 -7.6225 -7.6118 -5.8454 -5.8212 -5.6859 -5.6746 0.1556 0.2055 0.8238 0.9044 2.6754 2.7327 2.8335 2.9168 3.1427 3.1834 4.4038 4.4605 4.9531 5.0116 8.3255 8.4028 8.7584 8.8535 9.3408 9.4481 10.5968 10.7083 k = 0.2767-0.5568-1.0387 ( 3488 PWs) bands (ev): -8.8443 -8.8226 -8.7874 -8.7820 -8.6971 -8.6421 -8.6373 -8.6300 -8.1420 -8.0115 -7.9922 -7.9881 -7.8672 -7.7954 -7.7915 -7.7789 -7.7520 -7.7320 -7.6220 -7.6113 -5.8220 -5.7976 -5.6720 -5.6608 0.1419 0.1945 0.8099 0.8940 2.6212 2.6764 2.7904 2.8697 3.2015 3.2368 4.3845 4.4400 4.9128 4.9721 8.3108 8.3797 8.7520 8.8489 9.3646 9.4707 10.5787 10.6908 k = 0.2830-0.5694-1.0623 ( 3490 PWs) bands (ev): -8.8453 -8.8242 -8.7885 -8.7830 -8.6971 -8.6411 -8.6373 -8.6296 -8.1442 -8.0122 -7.9930 -7.9886 -7.8671 -7.7940 -7.7925 -7.7785 -7.7518 -7.7324 -7.6216 -7.6108 -5.8007 -5.7761 -5.6603 -5.6489 0.1303 0.1853 0.7992 0.8868 2.5694 2.6235 2.7484 2.8265 3.2623 3.2958 4.3633 4.4175 4.8726 4.9328 8.2937 8.3544 8.7468 8.8454 9.3937 9.4981 10.5639 10.6766 k = 0.2893-0.5821-1.0859 ( 3486 PWs) bands (ev): -8.8461 -8.8256 -8.7895 -8.7838 -8.6971 -8.6401 -8.6373 -8.6292 -8.1462 -8.0128 -7.9937 -7.9889 -7.8669 -7.7935 -7.7925 -7.7782 -7.7516 -7.7327 -7.6212 -7.6103 -5.7815 -5.7569 -5.6506 -5.6392 0.1206 0.1779 0.7913 0.8821 2.5210 2.5746 2.7095 2.7878 3.3241 3.3578 4.3403 4.3932 4.8332 4.8944 8.2745 8.3277 8.7423 8.8430 9.4266 9.5293 10.5534 10.6667 k = 0.2956-0.5947-1.1095 ( 3488 PWs) bands (ev): -8.8467 -8.8268 -8.7904 -8.7844 -8.6971 -8.6392 -8.6373 -8.6289 -8.1480 -8.0134 -7.9944 -7.9891 -7.8667 -7.7943 -7.7913 -7.7779 -7.7514 -7.7331 -7.6209 -7.6100 -5.7645 -5.7398 -5.6429 -5.6314 0.1128 0.1723 0.7858 0.8796 2.4765 2.5300 2.6749 2.7541 3.3859 3.4213 4.3155 4.3670 4.7947 4.8571 8.2539 8.3008 8.7381 8.8408 9.4624 9.5634 10.5479 10.6620 k = 0.3018-0.6074-1.1331 ( 3496 PWs) bands (ev): -8.8473 -8.8279 -8.7911 -8.7848 -8.6971 -8.6385 -8.6372 -8.6287 -8.1497 -8.0140 -7.9951 -7.9892 -7.8666 -7.7951 -7.7902 -7.7777 -7.7512 -7.7335 -7.6207 -7.6097 -5.7497 -5.7250 -5.6371 -5.6256 0.1067 0.1683 0.7824 0.8788 2.4366 2.4902 2.6456 2.7259 3.4470 3.4851 4.2889 4.3392 4.7579 4.8215 8.2326 8.2745 8.7335 8.8379 9.5000 9.5997 10.5480 10.6631 k = 0.3081-0.6200-1.1567 ( 3486 PWs) bands (ev): -8.8477 -8.8288 -8.7917 -8.7851 -8.6971 -8.6379 -8.6372 -8.6284 -8.1511 -8.0144 -7.9956 -7.9892 -7.8664 -7.7958 -7.7892 -7.7775 -7.7510 -7.7338 -7.6205 -7.6095 -5.7371 -5.7123 -5.6333 -5.6217 0.1023 0.1655 0.7804 0.8792 2.4017 2.4553 2.6223 2.7036 3.5065 3.5482 4.2608 4.3100 4.7230 4.7882 8.2116 8.2497 8.7277 8.8335 9.5389 9.6378 10.5543 10.6705 k = 0.3144-0.6327-1.1803 ( 3484 PWs) bands (ev): -8.8479 -8.8295 -8.7922 -8.7852 -8.6971 -8.6375 -8.6371 -8.6282 -8.1522 -8.0148 -7.9960 -7.9892 -7.8662 -7.7964 -7.7884 -7.7775 -7.7509 -7.7341 -7.6204 -7.6093 -5.7265 -5.7017 -5.6313 -5.6197 0.0992 0.1639 0.7795 0.8800 2.3721 2.4258 2.6056 2.6877 3.5637 3.6095 4.2311 4.2796 4.6908 4.7576 8.1917 8.2271 8.7198 8.8266 9.5786 9.6770 10.5669 10.6843 k = 0.3207-0.6453-1.2039 ( 3486 PWs) bands (ev): -8.8481 -8.8301 -8.7925 -8.7852 -8.6971 -8.6373 -8.6368 -8.6281 -8.1531 -8.0150 -7.9962 -7.9893 -7.8661 -7.7969 -7.7878 -7.7774 -7.7509 -7.7343 -7.6203 -7.6092 -5.7181 -5.6933 -5.6311 -5.6194 0.0973 0.1630 0.7791 0.8808 2.3484 2.4019 2.5961 2.6787 3.6176 3.6682 4.2002 4.2483 4.6617 4.7304 8.1737 8.2073 8.7094 8.8166 9.6187 9.7170 10.5859 10.7046 k = 0.3270-0.6580-1.2275 ( 3494 PWs) bands (ev): -8.8481 -8.8304 -8.7928 -8.7852 -8.6971 -8.6373 -8.6367 -8.6280 -8.1538 -8.0151 -7.9963 -7.9893 -7.8660 -7.7972 -7.7874 -7.7774 -7.7508 -7.7344 -7.6203 -7.6091 -5.7116 -5.6868 -5.6325 -5.6207 0.0961 0.1626 0.7788 0.8811 2.3307 2.3839 2.5943 2.6769 3.6675 3.7234 4.1680 4.2164 4.6364 4.7070 8.1582 8.1908 8.6959 8.8031 9.6589 9.7574 10.6110 10.7308 k = 0.3333-0.6707-1.2511 ( 3502 PWs) bands (ev): -8.8480 -8.8307 -8.7929 -8.7851 -8.6971 -8.6372 -8.6366 -8.6280 -8.1542 -8.0150 -7.9963 -7.9894 -7.8660 -7.7973 -7.7872 -7.7774 -7.7508 -7.7345 -7.6203 -7.6091 -5.7070 -5.6823 -5.6354 -5.6236 0.0954 0.1623 0.7782 0.8802 2.3194 2.3721 2.6006 2.6826 3.7124 3.7738 4.1349 4.1842 4.6156 4.6879 8.1458 8.1779 8.6790 8.7859 9.6990 9.7978 10.6414 10.7623 k = 0.3396-0.6833-1.2748 ( 3498 PWs) bands (ev): -8.8479 -8.8307 -8.7929 -8.7850 -8.6971 -8.6373 -8.6366 -8.6280 -8.1543 -8.0147 -7.9961 -7.9896 -7.8660 -7.7972 -7.7874 -7.7774 -7.7508 -7.7344 -7.6203 -7.6091 -5.7042 -5.6795 -5.6397 -5.6279 0.0950 0.1618 0.7767 0.8779 2.3146 2.3666 2.6152 2.6960 3.7515 3.8186 4.1012 4.1519 4.6000 4.6737 8.1370 8.1689 8.6588 8.7650 9.7386 9.8379 10.6763 10.7979 k = 0.6604-0.5659-1.2045 ( 3498 PWs) bands (ev): -8.8479 -8.8307 -8.7929 -8.7850 -8.6971 -8.6373 -8.6366 -8.6280 -8.1543 -8.0147 -7.9961 -7.9896 -7.8660 -7.7972 -7.7874 -7.7774 -7.7508 -7.7344 -7.6203 -7.6091 -5.7042 -5.6795 -5.6397 -5.6279 0.0950 0.1618 0.7767 0.8779 2.3146 2.3666 2.6152 2.6960 3.7515 3.8186 4.1012 4.1519 4.6000 4.6737 8.1370 8.1689 8.6588 8.7650 9.7386 9.8379 10.6763 10.7979 k = 0.6543-0.5396-1.2045 ( 3494 PWs) bands (ev): -8.8476 -8.8306 -8.7928 -8.7848 -8.6970 -8.6374 -8.6367 -8.6281 -8.1541 -8.0143 -7.9958 -7.9898 -7.8662 -7.7970 -7.7879 -7.7773 -7.7509 -7.7343 -7.6203 -7.6092 -5.7031 -5.6785 -5.6452 -5.6334 0.0945 0.1609 0.7743 0.8739 2.3164 2.3674 2.6377 2.7167 3.7836 3.8561 4.0677 4.1204 4.5904 4.6647 8.1320 8.1639 8.6358 8.7411 9.7768 9.8765 10.7136 10.8352 k = 0.6481-0.5134-1.2045 ( 3494 PWs) bands (ev): -8.8472 -8.8303 -8.7926 -8.7847 -8.6970 -8.6378 -8.6368 -8.6283 -8.1536 -8.0137 -7.9954 -7.9900 -7.8664 -7.7965 -7.7887 -7.7772 -7.7510 -7.7340 -7.6203 -7.6093 -5.7035 -5.6791 -5.6519 -5.6400 0.0937 0.1593 0.7707 0.8680 2.3247 2.3744 2.6683 2.7450 3.8089 3.8862 4.0345 4.0896 4.5868 4.6607 8.1309 8.1626 8.6099 8.7142 9.8141 9.9141 10.7520 10.8728 k = 0.6419-0.4871-1.2045 ( 3498 PWs) bands (ev): -8.8468 -8.8299 -8.7924 -8.7846 -8.6969 -8.6384 -8.6368 -8.6285 -8.1528 -8.0130 -7.9949 -7.9903 -7.8667 -7.7958 -7.7899 -7.7771 -7.7511 -7.7337 -7.6203 -7.6094 -5.7052 -5.6810 -5.6594 -5.6476 0.0924 0.1568 0.7657 0.8601 2.3394 2.3877 2.7067 2.7807 3.8273 3.9082 4.0023 4.0597 4.5892 4.6616 8.1336 8.1648 8.5816 8.6846 9.8501 9.9502 10.7894 10.9078 k = 0.6357-0.4608-1.2045 ( 3500 PWs) bands (ev): -8.8463 -8.8294 -8.7921 -8.7845 -8.6968 -8.6392 -8.6367 -8.6287 -8.1517 -8.0121 -7.9945 -7.9905 -7.8671 -7.7949 -7.7914 -7.7769 -7.7512 -7.7332 -7.6204 -7.6096 -5.7081 -5.6842 -5.6678 -5.6560 0.0905 0.1534 0.7594 0.8504 2.3603 2.4070 2.7528 2.8236 3.8388 3.9200 3.9736 4.0313 4.5973 4.6670 8.1398 8.1700 8.5513 8.6529 9.8846 9.9844 10.8227 10.9364 k = 0.6296-0.4345-1.2045 ( 3496 PWs) bands (ev): -8.8457 -8.8287 -8.7918 -8.7844 -8.6968 -8.6403 -8.6367 -8.6290 -8.1502 -8.0111 -7.9943 -7.9904 -7.8675 -7.7939 -7.7931 -7.7766 -7.7513 -7.7327 -7.6204 -7.6097 -5.7122 -5.6887 -5.6769 -5.6652 0.0879 0.1489 0.7518 0.8389 2.3872 2.4321 2.8060 2.8734 3.8435 3.9146 3.9558 4.0052 4.6103 4.6762 8.1491 8.1774 8.5200 8.6199 9.9174 10.0165 10.8484 10.9538 k = 0.6234-0.4082-1.2045 ( 3494 PWs) bands (ev): -8.8450 -8.8279 -8.7914 -8.7844 -8.6966 -8.6415 -8.6367 -8.6294 -8.1485 -8.0100 -7.9944 -7.9899 -7.8681 -7.7953 -7.7924 -7.7764 -7.7514 -7.7321 -7.6204 -7.6099 -5.7172 -5.6942 -5.6865 -5.6749 0.0845 0.1433 0.7429 0.8259 2.4196 2.4626 2.8658 2.9297 3.8416 3.8930 3.9479 3.9837 4.6271 4.6884 8.1605 8.1856 8.4886 8.5865 9.9481 10.0460 10.8620 10.9549 k = 0.6172-0.3820-1.2045 ( 3494 PWs) bands (ev): -8.8443 -8.8270 -8.7911 -8.7845 -8.6965 -8.6429 -8.6366 -8.6297 -8.1464 -8.0089 -7.9947 -7.9891 -7.8687 -7.7977 -7.7910 -7.7761 -7.7515 -7.7315 -7.6204 -7.6101 -5.7230 -5.7009 -5.6962 -5.6850 0.0803 0.1367 0.7329 0.8116 2.4571 2.4982 2.9318 2.9918 3.8324 3.8691 3.9355 3.9702 4.6466 4.7027 8.1724 8.1926 8.4590 8.5542 9.9764 10.0723 10.8595 10.9354 k = 0.6111-0.3557-1.2045 ( 3500 PWs) bands (ev): -8.8434 -8.8260 -8.7908 -8.7846 -8.6963 -8.6445 -8.6366 -8.6301 -8.1440 -8.0080 -7.9949 -7.9880 -7.8694 -7.8002 -7.7894 -7.7759 -7.7516 -7.7308 -7.6204 -7.6103 -5.7295 -5.7091 -5.7056 -5.6953 0.0754 0.1291 0.7221 0.7962 2.4991 2.5382 3.0031 3.0593 3.8148 3.8498 3.9173 3.9629 4.6676 4.7183 8.1812 8.1963 8.4335 8.5251 10.0018 10.0947 10.8378 10.8945 k = 0.6049-0.3294-1.2045 ( 3496 PWs) bands (ev): -8.8425 -8.8249 -8.7906 -8.7847 -8.6961 -8.6462 -8.6365 -8.6305 -8.1412 -8.0075 -7.9949 -7.9867 -7.8702 -7.8030 -7.7876 -7.7756 -7.7517 -7.7302 -7.6204 -7.6106 -5.7365 -5.7189 -5.7142 -5.7057 0.0698 0.1208 0.7105 0.7801 2.5448 2.5822 3.0790 3.1315 3.7916 3.8347 3.8979 3.9573 4.6891 4.7345 8.1790 8.1977 8.4148 8.5025 10.0235 10.1117 10.7961 10.8366 k = 0.5987-0.3031-1.2045 ( 3496 PWs) bands (ev): -8.8416 -8.8237 -8.7905 -8.7848 -8.6958 -8.6481 -8.6365 -8.6309 -8.1382 -8.0076 -7.9943 -7.9852 -7.8709 -7.8060 -7.7858 -7.7753 -7.7517 -7.7296 -7.6203 -7.6108 -5.7440 -5.7292 -5.7231 -5.7159 0.0636 0.1117 0.6986 0.7635 2.5935 2.6292 3.1589 3.2076 3.7671 3.8212 3.8792 3.9519 4.7105 4.7506 8.1617 8.1938 8.4049 8.4896 10.0404 10.1216 10.7361 10.7713 k = 0.5926-0.2768-1.2045 ( 3492 PWs) bands (ev): -8.8405 -8.8224 -8.7905 -8.7849 -8.6955 -8.6501 -8.6364 -8.6314 -8.1349 -8.0086 -7.9930 -7.9837 -7.8717 -7.8092 -7.7839 -7.7750 -7.7517 -7.7290 -7.6202 -7.6111 -5.7518 -5.7396 -5.7325 -5.7256 0.0570 0.1021 0.6863 0.7467 2.6444 2.6785 3.2416 3.2868 3.7434 3.8087 3.8617 3.9471 4.7310 4.7662 8.1321 8.1786 8.4040 8.4873 10.0506 10.1213 10.6661 10.7066 k = 0.5864-0.2505-1.2045 ( 3500 PWs) bands (ev): -8.8394 -8.8211 -8.7908 -8.7850 -8.6952 -8.6523 -8.6364 -8.6318 -8.1313 -8.0101 -7.9912 -7.9821 -7.8724 -7.8125 -7.7820 -7.7747 -7.7515 -7.7284 -7.6201 -7.6114 -5.7598 -5.7498 -5.7423 -5.7349 0.0501 0.0921 0.6740 0.7298 2.6965 2.7293 3.3262 3.3679 3.7214 3.7976 3.8456 3.9435 4.7504 4.7809 8.0937 8.1506 8.4104 8.4933 10.0510 10.1071 10.5992 10.6474 k = 0.5802-0.2243-1.2045 ( 3502 PWs) bands (ev): -8.8382 -8.8197 -8.7911 -8.7851 -8.6948 -8.6545 -8.6363 -8.6322 -8.1275 -8.0122 -7.9890 -7.9804 -7.8731 -7.8160 -7.7801 -7.7744 -7.7513 -7.7280 -7.6200 -7.6117 -5.7680 -5.7596 -5.7522 -5.7439 0.0430 0.0819 0.6619 0.7132 2.7489 2.7805 3.4114 3.4495 3.7017 3.7886 3.8315 3.9418 4.7683 4.7946 8.0490 8.1120 8.4207 8.5032 10.0377 10.0773 10.5452 10.5982 k = 0.5740-0.1980-1.2045 ( 3494 PWs) bands (ev): -8.8370 -8.8184 -8.7917 -8.7851 -8.6943 -8.6568 -8.6363 -8.6326 -8.1234 -8.0147 -7.9865 -7.9787 -7.8737 -7.8196 -7.7783 -7.7741 -7.7509 -7.7276 -7.6198 -7.6120 -5.7762 -5.7690 -5.7619 -5.7526 0.0359 0.0717 0.6501 0.6970 2.8004 2.8311 3.4955 3.5292 3.6853 3.7826 3.8200 3.9431 4.7845 4.8071 8.0001 8.0661 8.4314 8.5133 10.0060 10.0359 10.5065 10.5568 k = 0.5679-0.1717-1.2045 ( 3492 PWs) bands (ev): -8.8356 -8.8170 -8.7924 -8.7852 -8.6938 -8.6592 -8.6363 -8.6330 -8.1191 -8.0175 -7.9840 -7.9770 -7.8742 -7.8233 -7.7767 -7.7738 -7.7503 -7.7274 -7.6196 -7.6123 -5.7845 -5.7779 -5.7710 -5.7610 0.0289 0.0616 0.6389 0.6815 2.8500 2.8799 3.5760 3.6008 3.6746 3.7817 3.8129 3.9490 4.7990 4.8185 7.9484 8.0150 8.4397 8.5204 9.9554 9.9905 10.4645 10.5171 k = 0.5617-0.1454-1.2045 ( 3494 PWs) bands (ev): -8.8342 -8.8158 -8.7931 -8.7853 -8.6933 -8.6616 -8.6363 -8.6334 -8.1145 -8.0207 -7.9813 -7.9753 -7.8745 -7.8271 -7.7753 -7.7735 -7.7495 -7.7272 -7.6194 -7.6126 -5.7925 -5.7863 -5.7795 -5.7690 0.0222 0.0517 0.6283 0.6667 2.8969 2.9260 3.6358 3.6528 3.6845 3.7896 3.8167 3.9615 4.8118 4.8288 7.8951 7.9606 8.4437 8.5222 9.8966 9.9423 10.3925 10.4473 k = 0.5555-0.1191-1.2045 ( 3492 PWs) bands (ev): -8.8328 -8.8146 -8.7938 -8.7854 -8.6926 -8.6640 -8.6362 -8.6338 -8.1099 -8.0241 -7.9787 -7.9736 -7.8747 -7.8309 -7.7742 -7.7731 -7.7485 -7.7272 -7.6191 -7.6129 -5.8002 -5.7942 -5.7872 -5.7767 0.0158 0.0423 0.6185 0.6527 2.9401 2.9683 3.6371 3.7008 3.7183 3.7992 3.8528 3.9833 4.8229 4.8381 7.8413 7.9044 8.4423 8.5174 9.8391 9.8932 10.3136 10.3576 k = 0.5494-0.0929-1.2045 ( 3492 PWs) bands (ev): -8.8313 -8.8137 -8.7945 -8.7857 -8.6919 -8.6664 -8.6362 -8.6341 -8.1050 -8.0278 -7.9762 -7.9720 -7.8747 -7.8348 -7.7735 -7.7725 -7.7472 -7.7274 -7.6189 -7.6133 -5.8073 -5.8017 -5.7939 -5.7839 0.0099 0.0334 0.6096 0.6398 2.9789 3.0060 3.6325 3.7050 3.7668 3.8077 3.9158 4.0166 4.8324 4.8465 7.7881 7.8476 8.4352 8.5055 9.7878 9.8463 10.2394 10.2759 k = 0.5432-0.0666-1.2045 ( 3500 PWs) bands (ev): -8.8297 -8.8130 -8.7949 -8.7860 -8.6911 -8.6687 -8.6362 -8.6344 -8.1001 -8.0317 -7.9738 -7.9705 -7.8744 -7.8387 -7.7730 -7.7719 -7.7458 -7.7277 -7.6186 -7.6136 -5.8138 -5.8087 -5.7998 -5.7905 0.0047 0.0251 0.6017 0.6280 3.0129 3.0385 3.6292 3.7003 3.8009 3.8205 3.9852 4.0601 4.8405 4.8538 7.7367 7.7916 8.4230 8.4872 9.7449 9.8038 10.1734 10.2040 k = 0.5370-0.0403-1.2045 ( 3498 PWs) bands (ev): -8.8281 -8.8127 -8.7951 -8.7864 -8.6902 -8.6710 -8.6362 -8.6347 -8.0950 -8.0358 -7.9716 -7.9690 -7.8738 -7.8425 -7.7726 -7.7714 -7.7443 -7.7282 -7.6183 -7.6140 -5.8195 -5.8150 -5.8048 -5.7964 0.0001 0.0176 0.5950 0.6173 3.0419 3.0654 3.6277 3.6928 3.8217 3.8384 4.0529 4.1091 4.8474 4.8602 7.6884 7.7377 8.4072 8.4639 9.7109 9.7666 10.1167 10.1423 k = 0.5309-0.0140-1.2045 ( 3502 PWs) bands (ev): -8.8264 -8.8127 -8.7950 -8.7870 -8.6892 -8.6732 -8.6361 -8.6349 -8.0899 -8.0401 -7.9696 -7.9678 -7.8728 -7.8463 -7.7723 -7.7711 -7.7426 -7.7288 -7.6180 -7.6144 -5.8244 -5.8205 -5.8089 -5.8017 -0.0036 0.0109 0.5894 0.6080 3.0661 3.0868 3.6280 3.6846 3.8377 3.8555 4.1153 4.1580 4.8534 4.8654 7.6448 7.6875 8.3895 8.4378 9.6851 9.7349 10.0699 10.0909 k = 0.5247 0.0123-1.2045 ( 3508 PWs) bands (ev): -8.8248 -8.8132 -8.7946 -8.7877 -8.6882 -8.6753 -8.6361 -8.6352 -8.0847 -8.0446 -7.9680 -7.9667 -7.8716 -7.8500 -7.7720 -7.7709 -7.7409 -7.7296 -7.6176 -7.6147 -5.8284 -5.8252 -5.8122 -5.8063 -0.0066 0.0050 0.5851 0.5999 3.0855 3.1030 3.6299 3.6763 3.8524 3.8693 4.1699 4.2022 4.8587 4.8695 7.6073 7.6426 8.3721 8.4113 9.6666 9.7083 10.0329 10.0494 k = 0.5185 0.0385-1.2045 ( 3508 PWs) bands (ev): -8.8231 -8.8141 -8.7940 -8.7884 -8.6870 -8.6773 -8.6360 -8.6354 -8.0795 -8.0493 -7.9667 -7.9658 -7.8700 -7.8536 -7.7717 -7.7708 -7.7392 -7.7306 -7.6173 -7.6151 -5.8314 -5.8290 -5.8145 -5.8101 -0.0086 0.0001 0.5821 0.5931 3.1007 3.1143 3.6329 3.6683 3.8657 3.8797 4.2152 4.2387 4.8633 4.8723 7.5774 7.6046 8.3571 8.3868 9.6544 9.6866 10.0054 10.0176 k = 0.5123 0.0648-1.2045 ( 3506 PWs) bands (ev): -8.8214 -8.8152 -8.7931 -8.7893 -8.6857 -8.6792 -8.6360 -8.6355 -8.0743 -8.0541 -7.9657 -7.9652 -7.8680 -7.8570 -7.7715 -7.7708 -7.7375 -7.7317 -7.6169 -7.6155 -5.8335 -5.8319 -5.8160 -5.8130 -0.0096 -0.0039 0.5804 0.5878 3.1119 3.1212 3.6370 3.6608 3.8768 3.8867 4.2496 4.2651 4.8673 4.8738 7.5563 7.5748 8.3464 8.3663 9.6478 9.6696 9.9868 9.9949 k = 0.5062 0.0911-1.2045 ( 3504 PWs) bands (ev): -8.8197 -8.8166 -8.7922 -8.7902 -8.6842 -8.6810 -8.6359 -8.6357 -8.0691 -8.0590 -7.9650 -7.9648 -7.8657 -7.8602 -7.7712 -7.7709 -7.7359 -7.7330 -7.6166 -7.6158 -5.8346 -5.8338 -5.8166 -5.8151 -0.0097 -0.0068 0.5802 0.5838 3.1195 3.1242 3.6419 3.6538 3.8849 3.8900 4.2723 4.2800 4.8705 4.8739 7.5452 7.5545 8.3413 8.3513 9.6462 9.6572 9.9768 9.9808 k = 0.5000 0.1174-1.2045 ( 3498 PWs) bands (ev): -8.8181 -8.8181 -8.7912 -8.7912 -8.6827 -8.6827 -8.6358 -8.6358 -8.0640 -8.0640 -7.9648 -7.9648 -7.8631 -7.8631 -7.7710 -7.7710 -7.7344 -7.7344 -7.6162 -7.6162 -5.8347 -5.8347 -5.8163 -5.8163 -0.0088 -0.0088 0.5813 0.5813 3.1236 3.1236 3.6476 3.6476 3.8894 3.8894 4.2825 4.2825 4.8728 4.8728 7.5445 7.5445 8.3429 8.3429 9.6494 9.6494 9.9748 9.9748 k = 0.5000 0.1174-1.2045 ( 3498 PWs) bands (ev): -8.8181 -8.8181 -8.7912 -8.7912 -8.6827 -8.6827 -8.6358 -8.6358 -8.0640 -8.0640 -7.9648 -7.9648 -7.8631 -7.8631 -7.7710 -7.7710 -7.7344 -7.7344 -7.6162 -7.6162 -5.8347 -5.8347 -5.8163 -5.8163 -0.0088 -0.0088 0.5813 0.5813 3.1236 3.1236 3.6476 3.6476 3.8894 3.8894 4.2825 4.2825 4.8728 4.8728 7.5445 7.5445 8.3429 8.3429 9.6494 9.6494 9.9748 9.9748 k = 0.5229 0.1228-1.1945 ( 3507 PWs) bands (ev): -8.8183 -8.8180 -8.7914 -8.7910 -8.6827 -8.6827 -8.6358 -8.6358 -8.0641 -8.0639 -7.9649 -7.9646 -7.8631 -7.8631 -7.7711 -7.7710 -7.7344 -7.7344 -7.6163 -7.6162 -5.8382 -5.8334 -5.8177 -5.8130 -0.0096 -0.0092 0.5822 0.5830 3.1213 3.1241 3.6475 3.6510 3.8893 3.8910 4.2804 4.2831 4.8693 4.8696 7.5496 7.5502 8.3383 8.3391 9.6420 9.6599 9.9686 9.9888 k = 0.5458 0.1282-1.1844 ( 3501 PWs) bands (ev): -8.8184 -8.8179 -8.7915 -8.7908 -8.6827 -8.6827 -8.6358 -8.6357 -8.0641 -8.0638 -7.9652 -7.9644 -7.8631 -7.8631 -7.7711 -7.7710 -7.7344 -7.7344 -7.6163 -7.6161 -5.8427 -5.8353 -5.8164 -5.8091 -0.0117 -0.0109 0.5856 0.5871 3.1172 3.1227 3.6509 3.6576 3.8907 3.8940 4.2770 4.2825 4.8596 4.8601 7.5649 7.5664 8.3256 8.3274 9.6384 9.6730 9.9706 10.0099 k = 0.5688 0.1335-1.1744 ( 3501 PWs) bands (ev): -8.8185 -8.8177 -8.7917 -8.7905 -8.6828 -8.6827 -8.6358 -8.6357 -8.0640 -8.0636 -7.9654 -7.9643 -7.8631 -7.8631 -7.7711 -7.7710 -7.7344 -7.7344 -7.6164 -7.6161 -5.8477 -5.8393 -5.8133 -5.8051 -0.0148 -0.0137 0.5914 0.5936 3.1117 3.1195 3.6573 3.6671 3.8935 3.8986 4.2722 4.2806 4.8442 4.8448 7.5899 7.5926 8.3050 8.3084 9.6390 9.6879 9.9808 10.0370 k = 0.5917 0.1389-1.1643 ( 3503 PWs) bands (ev): -8.8187 -8.8176 -8.7917 -8.7902 -8.6828 -8.6827 -8.6358 -8.6357 -8.0639 -8.0634 -7.9656 -7.9642 -7.8631 -7.8630 -7.7712 -7.7710 -7.7344 -7.7344 -7.6165 -7.6161 -5.8530 -5.8442 -5.8097 -5.8011 -0.0188 -0.0174 0.5994 0.6021 3.1048 3.1147 3.6666 3.6789 3.8976 3.9045 4.2660 4.2775 4.8242 4.8246 7.6232 7.6278 8.2775 8.2833 9.6439 9.7042 9.9985 10.0690 k = 0.6146 0.1443-1.1543 ( 3500 PWs) bands (ev): -8.8188 -8.8176 -8.7917 -8.7899 -8.6828 -8.6827 -8.6359 -8.6357 -8.0638 -8.0632 -7.9659 -7.9642 -7.8631 -7.8630 -7.7712 -7.7710 -7.7344 -7.7343 -7.6165 -7.6161 -5.8586 -5.8496 -5.8059 -5.7973 -0.0235 -0.0218 0.6092 0.6125 3.0968 3.1084 3.6780 3.6927 3.9030 3.9118 4.2585 4.2733 4.8008 4.8009 7.6633 7.6709 8.2441 8.2535 9.6530 9.7219 10.0226 10.1048 k = 0.6375 0.1497-1.1443 ( 3501 PWs) bands (ev): -8.8189 -8.8175 -8.7917 -8.7896 -8.6829 -8.6827 -8.6359 -8.6357 -8.0636 -8.0629 -7.9661 -7.9642 -7.8631 -7.8630 -7.7713 -7.7710 -7.7344 -7.7343 -7.6166 -7.6161 -5.8643 -5.8554 -5.8023 -5.7936 -0.0285 -0.0267 0.6206 0.6243 3.0880 3.1008 3.6912 3.7077 3.9095 3.9203 4.2498 4.2681 4.7748 4.7757 7.7081 7.7202 8.2061 8.2209 9.6662 9.7412 10.0514 10.1430 k = 0.6604 0.1551-1.1342 ( 3497 PWs) bands (ev): -8.8190 -8.8175 -8.7916 -8.7893 -8.6829 -8.6827 -8.6359 -8.6356 -8.0634 -8.0626 -7.9664 -7.9642 -7.8631 -7.8630 -7.7713 -7.7710 -7.7343 -7.7343 -7.6167 -7.6161 -5.8702 -5.8614 -5.7987 -5.7902 -0.0337 -0.0318 0.6332 0.6372 3.0783 3.0920 3.7055 3.7234 3.9169 3.9297 4.2401 4.2622 4.7482 4.7501 7.7548 7.7740 8.1648 8.1877 9.6832 9.7622 10.0832 10.1823 k = 0.6604 0.1551-1.1342 ( 3497 PWs) bands (ev): -8.8190 -8.8175 -8.7916 -8.7893 -8.6829 -8.6827 -8.6359 -8.6356 -8.0634 -8.0626 -7.9664 -7.9642 -7.8631 -7.8630 -7.7713 -7.7710 -7.7343 -7.7343 -7.6167 -7.6161 -5.8702 -5.8614 -5.7987 -5.7902 -0.0337 -0.0318 0.6332 0.6372 3.0783 3.0920 3.7055 3.7234 3.9169 3.9297 4.2401 4.2622 4.7482 4.7501 7.7548 7.7740 8.1648 8.1877 9.6832 9.7622 10.0832 10.1823 k = 0.6568 0.1542-1.1068 ( 3495 PWs) bands (ev): -8.8182 -8.8175 -8.7903 -8.7889 -8.6829 -8.6827 -8.6358 -8.6357 -8.0632 -8.0628 -7.9659 -7.9639 -7.8630 -7.8629 -7.7715 -7.7712 -7.7344 -7.7344 -7.6170 -7.6164 -5.8742 -5.8651 -5.8092 -5.8004 -0.0316 -0.0296 0.6554 0.6594 3.1055 3.1204 3.6732 3.6934 3.9134 3.9251 4.2432 4.2657 4.7413 4.7433 7.7818 7.8002 8.1877 8.2094 9.6850 9.7659 10.0944 10.1945 k = 0.6531 0.1533-1.0795 ( 3493 PWs) bands (ev): -8.8174 -8.8174 -8.7887 -8.7880 -8.6830 -8.6827 -8.6358 -8.6357 -8.0629 -8.0629 -7.9652 -7.9636 -7.8630 -7.8629 -7.7718 -7.7715 -7.7346 -7.7345 -7.6174 -7.6168 -5.8820 -5.8726 -5.8222 -5.8132 -0.0252 -0.0232 0.6838 0.6879 3.1272 3.1432 3.6386 3.6606 3.9138 3.9247 4.2486 4.2713 4.7427 4.7445 7.8116 7.8292 8.2116 8.2321 9.6896 9.7720 10.1103 10.2113 k = 0.6495 0.1525-1.0521 ( 3492 PWs) bands (ev): -8.8171 -8.8163 -8.7868 -8.7868 -8.6831 -8.6828 -8.6358 -8.6357 -8.0629 -8.0626 -7.9644 -7.9631 -7.8629 -7.8628 -7.7722 -7.7718 -7.7347 -7.7346 -7.6179 -7.6173 -5.8933 -5.8839 -5.8373 -5.8283 -0.0147 -0.0126 0.7182 0.7224 3.1429 3.1601 3.6023 3.6259 3.9176 3.9279 4.2565 4.2789 4.7525 4.7542 7.8438 7.8608 8.2364 8.2558 9.6971 9.7806 10.1308 10.2323 k = 0.6458 0.1516-1.0247 ( 3498 PWs) bands (ev): -8.8166 -8.8152 -8.7851 -8.7845 -8.6831 -8.6828 -8.6358 -8.6357 -8.0628 -8.0622 -7.9635 -7.9625 -7.8628 -7.8627 -7.7727 -7.7722 -7.7349 -7.7348 -7.6185 -7.6179 -5.9083 -5.8991 -5.8546 -5.8457 -0.0004 0.0018 0.7585 0.7628 3.1529 3.1713 3.5650 3.5898 3.9247 3.9344 4.2667 4.2886 4.7710 4.7722 7.8782 7.8946 8.2618 8.2801 9.7074 9.7918 10.1554 10.2573 k = 0.6422 0.1508-0.9973 ( 3492 PWs) bands (ev): -8.8159 -8.8139 -8.7831 -8.7819 -8.6832 -8.6829 -8.6358 -8.6358 -8.0626 -8.0617 -7.9625 -7.9618 -7.8626 -7.8626 -7.7732 -7.7727 -7.7351 -7.7350 -7.6193 -7.6187 -5.9267 -5.9179 -5.8737 -5.8653 0.0177 0.0199 0.8045 0.8088 3.1575 3.1770 3.5271 3.5527 3.9346 3.9439 4.2794 4.3002 4.7978 4.7985 7.9144 7.9303 8.2879 8.3052 9.7206 9.8060 10.1835 10.2858 k = 0.6386 0.1499-0.9700 ( 3493 PWs) bands (ev): -8.8150 -8.8124 -8.7808 -8.7790 -8.6833 -8.6829 -8.6358 -8.6358 -8.0624 -8.0611 -7.9614 -7.9610 -7.8625 -7.8625 -7.7738 -7.7733 -7.7354 -7.7352 -7.6202 -7.6196 -5.9483 -5.9402 -5.8947 -5.8869 0.0391 0.0413 0.8557 0.8601 3.1576 3.1782 3.4888 3.5152 3.9473 3.9560 4.2943 4.3138 4.8326 4.8327 7.9521 7.9675 8.3145 8.3308 9.7369 9.8232 10.2146 10.3174 k = 0.6349 0.1491-0.9426 ( 3499 PWs) bands (ev): -8.8139 -8.8109 -8.7781 -8.7759 -8.6834 -8.6830 -8.6358 -8.6358 -8.0620 -8.0604 -7.9601 -7.9600 -7.8624 -7.8623 -7.7745 -7.7740 -7.7356 -7.7354 -7.6212 -7.6206 -5.9730 -5.9655 -5.9176 -5.9105 0.0635 0.0656 0.9121 0.9165 3.1542 3.1759 3.4506 3.4777 3.9624 3.9706 4.3112 4.3293 4.8740 4.8746 7.9910 8.0058 8.3416 8.3569 9.7562 9.8435 10.2481 10.3516 k = 0.6313 0.1482-0.9152 ( 3504 PWs) bands (ev): -8.8126 -8.8091 -8.7752 -8.7725 -8.6835 -8.6831 -8.6359 -8.6358 -8.0615 -8.0596 -7.9588 -7.9587 -7.8622 -7.8622 -7.7753 -7.7747 -7.7359 -7.7357 -7.6222 -7.6217 -6.0003 -5.9935 -5.9424 -5.9360 0.0904 0.0925 0.9732 0.9776 3.1483 3.1711 3.4127 3.4405 3.9799 3.9874 4.3299 4.3465 4.9217 4.9230 8.0306 8.0450 8.3692 8.3835 9.7785 9.8669 10.2834 10.3877 k = 0.6276 0.1474-0.8878 ( 3495 PWs) bands (ev): -8.8111 -8.8073 -8.7719 -8.7689 -8.6836 -8.6832 -8.6359 -8.6358 -8.0608 -8.0586 -7.9575 -7.9571 -7.8620 -7.8620 -7.7761 -7.7754 -7.7362 -7.7359 -7.6235 -7.6229 -6.0300 -6.0238 -5.9691 -5.9634 0.1194 0.1215 1.0387 1.0430 3.1410 3.1651 3.3756 3.4042 3.9995 4.0065 4.3503 4.3655 4.9750 4.9770 8.0707 8.0845 8.3972 8.4105 9.8038 9.8936 10.3197 10.4252 k = 0.6240 0.1465-0.8605 ( 3493 PWs) bands (ev): -8.8094 -8.8053 -8.7684 -8.7651 -8.6837 -8.6834 -8.6359 -8.6358 -8.0601 -8.0576 -7.9561 -7.9554 -7.8619 -7.8618 -7.7769 -7.7763 -7.7365 -7.7362 -7.6248 -7.6242 -6.0618 -6.0562 -5.9977 -5.9925 0.1499 0.1520 1.1081 1.1124 3.1333 3.1589 3.3396 3.3693 4.0212 4.0275 4.3723 4.3860 5.0329 5.0356 8.1108 8.1241 8.4258 8.4381 9.8320 9.9234 10.3564 10.4634 k = 0.6203 0.1456-0.8331 ( 3496 PWs) bands (ev): -8.8074 -8.8031 -8.7647 -8.7611 -8.6838 -8.6835 -8.6359 -8.6358 -8.0592 -8.0564 -7.9544 -7.9535 -7.8617 -7.8616 -7.7778 -7.7771 -7.7368 -7.7365 -7.6262 -7.6256 -6.0954 -6.0903 -6.0279 -6.0233 0.1815 0.1835 1.1810 1.1853 3.1261 3.1535 3.3054 3.3367 4.0447 4.0505 4.3957 4.4081 5.0946 5.0979 8.1506 8.1632 8.4549 8.4662 9.8631 9.9563 10.3926 10.5013 k = 0.6167 0.1448-0.8057 ( 3496 PWs) bands (ev): -8.8053 -8.8008 -8.7607 -8.7570 -8.6839 -8.6836 -8.6360 -8.6358 -8.0581 -8.0550 -7.9526 -7.9515 -7.8615 -7.8614 -7.7787 -7.7780 -7.7371 -7.7368 -7.6277 -7.6271 -6.1306 -6.1259 -6.0597 -6.0555 0.2136 0.2155 1.2569 1.2611 3.1199 3.1495 3.2740 3.3071 4.0701 4.0754 4.4204 4.4317 5.1593 5.1631 8.1895 8.2014 8.4845 8.4949 9.8969 9.9923 10.4275 10.5383 k = 0.6130 0.1439-0.7784 ( 3489 PWs) bands (ev): -8.8031 -8.7983 -8.7566 -8.7527 -8.6840 -8.6837 -8.6360 -8.6359 -8.0568 -8.0535 -7.9507 -7.9493 -7.8614 -7.8612 -7.7796 -7.7790 -7.7374 -7.7371 -7.6292 -7.6287 -6.1672 -6.1628 -6.0929 -6.0890 0.2456 0.2475 1.3351 1.3393 3.1147 3.1467 3.2468 3.2821 4.0971 4.1020 4.4464 4.4566 5.2260 5.2303 8.2269 8.2381 8.5150 8.5244 9.9333 10.0310 10.4602 10.5735 k = 0.6094 0.1431-0.7510 ( 3479 PWs) bands (ev): -8.8006 -8.7958 -8.7524 -8.7483 -8.6841 -8.6838 -8.6360 -8.6359 -8.0554 -8.0518 -7.9485 -7.9470 -7.8612 -7.8610 -7.7806 -7.7800 -7.7378 -7.7374 -7.6309 -7.6304 -6.2048 -6.2007 -6.1274 -6.1237 0.2770 0.2788 1.4151 1.4190 3.1105 3.1438 3.2268 3.2633 4.1258 4.1302 4.4736 4.4828 5.2941 5.2988 8.2622 8.2726 8.5465 8.5550 9.9720 10.0725 10.4897 10.6059 k = 0.6057 0.1422-0.7236 ( 3475 PWs) bands (ev): -8.7980 -8.7930 -8.7480 -8.7438 -8.6842 -8.6840 -8.6360 -8.6359 -8.0538 -8.0499 -7.9462 -7.9445 -7.8610 -7.8608 -7.7816 -7.7810 -7.7381 -7.7377 -7.6326 -7.6321 -6.2433 -6.2394 -6.1629 -6.1594 0.3073 0.3089 1.4958 1.4996 3.1065 3.1382 3.2181 3.2527 4.1559 4.1600 4.5018 4.5102 5.3629 5.3679 8.2945 8.3041 8.5793 8.5871 10.0129 10.1166 10.5153 10.6346 k = 0.6021 0.1414-0.6962 ( 3481 PWs) bands (ev): -8.7952 -8.7902 -8.7436 -8.7393 -8.6842 -8.6841 -8.6359 -8.6359 -8.0519 -8.0478 -7.9437 -7.9418 -7.8609 -7.8606 -7.7826 -7.7820 -7.7384 -7.7380 -7.6345 -7.6340 -6.2825 -6.2788 -6.1992 -6.1960 0.3359 0.3375 1.5765 1.5801 3.1027 3.1292 3.2227 3.2520 4.1875 4.1912 4.5310 4.5387 5.4317 5.4371 8.3229 8.3315 8.6139 8.6211 10.0555 10.1629 10.5358 10.6588 k = 0.5984 0.1405-0.6689 ( 3475 PWs) bands (ev): -8.7923 -8.7872 -8.7392 -8.7348 -8.6843 -8.6842 -8.6359 -8.6358 -8.0497 -8.0455 -7.9409 -7.9389 -7.8607 -7.8604 -7.7836 -7.7830 -7.7387 -7.7383 -7.6363 -7.6359 -6.3222 -6.3186 -6.2363 -6.2331 0.3625 0.3640 1.6558 1.6592 3.1000 3.1201 3.2390 3.2619 4.2203 4.2237 4.5612 4.5682 5.5000 5.5057 8.3462 8.3538 8.6509 8.6575 10.0995 10.2113 10.5505 10.6778 k = 0.5948 0.1396-0.6415 ( 3477 PWs) bands (ev): -8.7893 -8.7842 -8.7347 -8.7302 -8.6843 -8.6843 -8.6359 -8.6358 -8.0473 -8.0429 -7.9381 -7.9359 -7.8606 -7.8602 -7.7846 -7.7840 -7.7389 -7.7386 -7.6383 -7.6378 -6.3622 -6.3586 -6.2738 -6.2707 0.3867 0.3880 1.7325 1.7356 3.1003 3.1149 3.2645 3.2819 4.2543 4.2575 4.5921 4.5986 5.5672 5.5733 8.3634 8.3700 8.6906 8.6967 10.1443 10.2613 10.5586 10.6910 k = 0.5912 0.1388-0.6141 ( 3489 PWs) bands (ev): -8.7862 -8.7810 -8.7303 -8.7258 -8.6843 -8.6842 -8.6358 -8.6358 -8.0446 -8.0400 -7.9350 -7.9327 -7.8605 -7.8601 -7.7856 -7.7850 -7.7392 -7.7389 -7.6403 -7.6398 -6.4023 -6.3988 -6.3117 -6.3087 0.4083 0.4095 1.8051 1.8079 3.1061 3.1163 3.2980 3.3112 4.2894 4.2923 4.6238 4.6298 5.6330 5.6393 8.3736 8.3792 8.7334 8.7392 10.1887 10.3125 10.5597 10.6985 k = 0.5875 0.1379-0.5867 ( 3491 PWs) bands (ev): -8.7829 -8.7778 -8.7259 -8.7213 -8.6844 -8.6842 -8.6357 -8.6357 -8.0416 -8.0368 -7.9317 -7.9294 -7.8604 -7.8599 -7.7866 -7.7860 -7.7395 -7.7392 -7.6424 -7.6419 -6.4424 -6.4389 -6.3497 -6.3467 0.4270 0.4280 1.8720 1.8743 3.1198 3.1268 3.3389 3.3490 4.3255 4.3282 4.6561 4.6616 5.6969 5.7034 8.3762 8.3806 8.7793 8.7849 10.2313 10.3630 10.5547 10.7009 k = 0.5839 0.1371-0.5594 ( 3489 PWs) bands (ev): -8.7796 -8.7744 -8.7217 -8.7170 -8.6844 -8.6840 -8.6357 -8.6355 -8.0383 -8.0333 -7.9283 -7.9259 -7.8603 -7.8598 -7.7875 -7.7870 -7.7397 -7.7394 -7.6445 -7.6440 -6.4823 -6.4788 -6.3877 -6.3847 0.4427 0.4437 1.9315 1.9334 3.1435 3.1479 3.3868 3.3947 4.3624 4.3649 4.6889 4.6940 5.7586 5.7653 8.3705 8.3738 8.8281 8.8336 10.2694 10.4079 10.5481 10.7005 k = 0.5802 0.1362-0.5320 ( 3495 PWs) bands (ev): -8.7762 -8.7711 -8.7175 -8.7129 -8.6844 -8.6838 -8.6356 -8.6354 -8.0346 -8.0294 -7.9247 -7.9223 -7.8602 -7.8596 -7.7885 -7.7880 -7.7399 -7.7397 -7.6467 -7.6462 -6.5219 -6.5184 -6.4255 -6.4225 0.4555 0.4564 1.9823 1.9838 3.1787 3.1811 3.4415 3.4475 4.4001 4.4023 4.7220 4.7268 5.8177 5.8246 8.3562 8.3584 8.8796 8.8850 10.2987 10.4311 10.5558 10.7013 k = 0.5766 0.1354-0.5046 ( 3495 PWs) bands (ev): -8.7728 -8.7677 -8.7136 -8.7089 -8.6843 -8.6836 -8.6354 -8.6352 -8.0305 -8.0252 -7.9210 -7.9185 -7.8601 -7.8595 -7.7895 -7.7890 -7.7401 -7.7399 -7.6489 -7.6485 -6.5610 -6.5574 -6.4630 -6.4600 0.4655 0.4662 2.0237 2.0248 3.2263 3.2271 3.5024 3.5071 4.4383 4.4404 4.7554 4.7598 5.8740 5.8811 8.3332 8.3342 8.9330 8.9385 10.3137 10.4172 10.5934 10.7093 k = 0.5729 0.1345-0.4772 ( 3505 PWs) bands (ev): -8.7693 -8.7643 -8.7099 -8.7051 -8.6841 -8.6832 -8.6353 -8.6349 -8.0260 -8.0206 -7.9172 -7.9146 -7.8601 -7.8594 -7.7904 -7.7900 -7.7402 -7.7401 -7.6512 -7.6507 -6.5995 -6.5958 -6.5000 -6.4971 0.4727 0.4734 2.0555 2.0562 3.2860 3.2865 3.5692 3.5728 4.4770 4.4789 4.7888 4.7930 5.9273 5.9345 8.3013 8.3014 8.9875 8.9930 10.3096 10.3790 10.6492 10.7300 k = 0.5693 0.1337-0.4499 ( 3505 PWs) bands (ev): -8.7658 -8.7609 -8.7064 -8.7016 -8.6839 -8.6828 -8.6351 -8.6347 -8.0211 -8.0156 -7.9132 -7.9106 -7.8600 -7.8592 -7.7913 -7.7909 -7.7403 -7.7403 -7.6535 -7.6530 -6.6371 -6.6335 -6.5365 -6.5335 0.4774 0.4780 2.0782 2.0786 3.3571 3.3586 3.6413 3.6441 4.5159 4.5177 4.8222 4.8261 5.9774 5.9848 8.2596 8.2608 9.0418 9.0475 10.2863 10.3285 10.7127 10.7652 k = 0.5656 0.1328-0.4225 ( 3510 PWs) bands (ev): -8.7623 -8.7575 -8.7032 -8.6985 -8.6836 -8.6823 -8.6349 -8.6344 -8.0158 -8.0103 -7.9091 -7.9066 -7.8600 -7.8591 -7.7922 -7.7918 -7.7405 -7.7404 -7.6558 -7.6554 -6.6739 -6.6702 -6.5722 -6.5691 0.4798 0.4804 2.0929 2.0931 3.4390 3.4414 3.7182 3.7203 4.5550 4.5567 4.8554 4.8590 6.0243 6.0319 8.2095 8.2118 9.0941 9.0998 10.2482 10.2715 10.7801 10.8118 k = 0.5620 0.1319-0.3951 ( 3508 PWs) bands (ev): -8.7588 -8.7542 -8.7003 -8.6956 -8.6831 -8.6816 -8.6347 -8.6340 -8.0101 -8.0045 -7.9050 -7.9025 -7.8600 -7.8590 -7.7931 -7.7927 -7.7406 -7.7406 -7.6582 -7.6578 -6.7097 -6.7059 -6.6070 -6.6039 0.4802 0.4807 2.1009 2.1010 3.5304 3.5334 3.7992 3.8008 4.5942 4.5957 4.8882 4.8917 6.0678 6.0756 8.1512 8.1545 9.1416 9.1475 10.2021 10.2129 10.8482 10.8609 k = 0.5583 0.1311-0.3677 ( 3506 PWs) bands (ev): -8.7554 -8.7509 -8.6977 -8.6932 -8.6824 -8.6808 -8.6344 -8.6337 -8.0040 -7.9983 -7.9009 -7.8984 -7.8599 -7.8589 -7.7939 -7.7936 -7.7408 -7.7407 -7.6606 -7.6602 -6.7442 -6.7404 -6.6408 -6.6377 0.4789 0.4793 2.1036 2.1036 3.6295 3.6330 3.8837 3.8848 4.6332 4.6346 4.9206 4.9238 6.1080 6.1161 8.0853 8.0895 9.1809 9.1869 10.1553 10.1578 10.8867 10.8938 k = 0.5547 0.1302-0.3404 ( 3508 PWs) bands (ev): -8.7521 -8.7478 -8.6954 -8.6911 -8.6815 -8.6799 -8.6342 -8.6334 -7.9975 -7.9917 -7.8967 -7.8943 -7.8599 -7.8588 -7.7948 -7.7944 -7.7409 -7.7408 -7.6630 -7.6627 -6.7775 -6.7737 -6.6735 -6.6704 0.4761 0.4765 2.1021 2.1022 3.7347 3.7388 3.9710 3.9716 4.6720 4.6733 4.9523 4.9554 6.1449 6.1532 8.0122 8.0172 9.2070 9.2130 10.1123 10.1153 10.8833 10.8900 k = 0.5510 0.1294-0.3130 ( 3512 PWs) bands (ev): -8.7488 -8.7447 -8.6934 -8.6895 -8.6803 -8.6789 -8.6339 -8.6330 -7.9905 -7.9848 -7.8926 -7.8903 -7.8599 -7.8587 -7.7956 -7.7952 -7.7411 -7.7409 -7.6655 -7.6651 -6.8094 -6.8055 -6.7049 -6.7018 0.4722 0.4725 2.0976 2.0978 3.8447 3.8492 4.0602 4.0603 4.7104 4.7116 4.9833 4.9862 6.1786 6.1871 7.9325 7.9383 9.2151 9.2207 10.0828 10.0894 10.8715 10.8769 k = 0.5474 0.1285-0.2856 ( 3509 PWs) bands (ev): -8.7457 -8.7418 -8.6917 -8.6883 -8.6790 -8.6778 -8.6337 -8.6327 -7.9832 -7.9775 -7.8886 -7.8865 -7.8598 -7.8586 -7.7964 -7.7960 -7.7414 -7.7411 -7.6679 -7.6676 -6.8396 -6.8358 -6.7350 -6.7319 0.4674 0.4676 2.0911 2.0913 3.9579 3.9629 4.1502 4.1504 4.7483 4.7495 5.0134 5.0162 6.2091 6.2178 7.8470 7.8535 9.2015 9.2064 10.0737 10.0824 10.8572 10.8619 k = 0.5438 0.1277-0.2582 ( 3511 PWs) bands (ev): -8.7427 -8.7391 -8.6902 -8.6873 -8.6777 -8.6767 -8.6334 -8.6324 -7.9756 -7.9699 -7.8847 -7.8827 -7.8598 -7.8584 -7.7971 -7.7967 -7.7418 -7.7414 -7.6704 -7.6701 -6.8682 -6.8645 -6.7636 -6.7605 0.4619 0.4621 2.0832 2.0834 4.0730 4.0785 4.2402 4.2410 4.7857 4.7869 5.0426 5.0453 6.2365 6.2455 7.7565 7.7635 9.1662 9.1701 10.0859 10.0957 10.8423 10.8466 k = 0.5401 0.1268-0.2309 ( 3513 PWs) bands (ev): -8.7399 -8.7366 -8.6888 -8.6865 -8.6763 -8.6755 -8.6333 -8.6322 -7.9677 -7.9621 -7.8811 -7.8792 -7.8597 -7.8582 -7.7979 -7.7974 -7.7422 -7.7418 -7.6728 -7.6725 -6.8950 -6.8913 -6.7905 -6.7875 0.4560 0.4562 2.0745 2.0747 4.1884 4.1944 4.3295 4.3310 4.8226 4.8238 5.0709 5.0735 6.2609 6.2702 7.6617 7.6693 9.1126 9.1154 10.1161 10.1264 10.8278 10.8319 k = 0.5365 0.1260-0.2035 ( 3509 PWs) bands (ev): -8.7373 -8.7342 -8.6876 -8.6858 -8.6749 -8.6744 -8.6331 -8.6320 -7.9596 -7.9541 -7.8776 -7.8760 -7.8596 -7.8580 -7.7985 -7.7981 -7.7428 -7.7423 -7.6751 -7.6749 -6.9198 -6.9162 -6.8157 -6.8128 0.4499 0.4501 2.0655 2.0657 4.3022 4.3089 4.4175 4.4197 4.8590 4.8602 5.0983 5.1008 6.2825 6.2922 7.5637 7.5718 9.0461 9.0478 10.1590 10.1696 10.8145 10.8185 k = 0.5328 0.1251-0.1761 ( 3515 PWs) bands (ev): -8.7349 -8.7321 -8.6865 -8.6851 -8.6736 -8.6733 -8.6330 -8.6319 -7.9514 -7.9460 -7.8745 -7.8731 -7.8594 -7.8577 -7.7992 -7.7986 -7.7435 -7.7431 -7.6774 -7.6772 -6.9426 -6.9392 -6.8391 -6.8362 0.4439 0.4440 2.0566 2.0568 4.4115 4.4191 4.5041 4.5072 4.8950 4.8962 5.1250 5.1275 6.3014 6.3115 7.4635 7.4721 8.9721 8.9729 10.2092 10.2198 10.8034 10.8073 k = 0.5292 0.1242-0.1487 ( 3517 PWs) bands (ev): -8.7327 -8.7302 -8.6856 -8.6845 -8.6725 -8.6722 -8.6330 -8.6319 -7.9432 -7.9379 -7.8718 -7.8706 -7.8592 -7.8574 -7.7997 -7.7991 -7.7445 -7.7440 -7.6795 -7.6794 -6.9633 -6.9600 -6.8604 -6.8577 0.4380 0.4382 2.0480 2.0482 4.5119 4.5199 4.5909 4.5946 4.9307 4.9320 5.1514 5.1538 6.3178 6.3283 7.3625 7.3715 8.8951 8.8953 10.2618 10.2724 10.7956 10.7994 k = 0.5255 0.1234-0.1214 ( 3519 PWs) bands (ev): -8.7307 -8.7286 -8.6847 -8.6840 -8.6714 -8.6712 -8.6330 -8.6320 -7.9350 -7.9300 -7.8696 -7.8685 -7.8589 -7.8571 -7.8002 -7.7995 -7.7456 -7.7451 -7.6815 -7.6814 -6.9816 -6.9786 -6.8796 -6.8771 0.4325 0.4326 2.0400 2.0401 4.5982 4.6052 4.6804 4.6833 4.9662 4.9676 5.1781 5.1804 6.3319 6.3427 7.2621 7.2715 8.8187 8.8189 10.3126 10.3229 10.7921 10.7956 k = 0.5219 0.1225-0.0940 ( 3521 PWs) bands (ev): -8.7290 -8.7272 -8.6839 -8.6835 -8.6704 -8.6703 -8.6331 -8.6321 -7.9272 -7.9224 -7.8677 -7.8668 -7.8586 -7.8569 -7.8005 -7.7998 -7.7468 -7.7463 -7.6833 -7.6832 -6.9976 -6.9949 -6.8966 -6.8943 0.4274 0.4275 2.0327 2.0328 4.6684 4.6735 4.7698 4.7712 5.0012 5.0027 5.2061 5.2082 6.3438 6.3550 7.1642 7.1739 8.7461 8.7465 10.3583 10.3680 10.7937 10.7967 k = 0.5182 0.1217-0.0666 ( 3519 PWs) bands (ev): -8.7275 -8.7260 -8.6833 -8.6830 -8.6695 -8.6694 -8.6331 -8.6323 -7.9197 -7.9153 -7.8663 -7.8655 -7.8584 -7.8568 -7.8007 -7.8000 -7.7482 -7.7478 -7.6848 -7.6847 -7.0112 -7.0088 -6.9112 -6.9092 0.4230 0.4231 2.0264 2.0265 4.7242 4.7277 4.8520 4.8523 5.0350 5.0364 5.2365 5.2382 6.3540 6.3652 7.0712 7.0809 8.6801 8.6806 10.3965 10.4051 10.8006 10.8029 k = 0.5146 0.1208-0.0392 ( 3525 PWs) bands (ev): -8.7263 -8.7251 -8.6827 -8.6826 -8.6687 -8.6687 -8.6332 -8.6325 -7.9129 -7.9090 -7.8652 -7.8644 -7.8584 -7.8570 -7.8008 -7.8001 -7.7496 -7.7492 -7.6860 -7.6860 -7.0224 -7.0203 -6.9232 -6.9216 0.4192 0.4193 2.0210 2.0211 4.7674 4.7698 4.9212 4.9216 5.0660 5.0670 5.2697 5.2710 6.3626 6.3735 6.9861 6.9956 8.6228 8.6234 10.4260 10.4331 10.8119 10.8133 k = 0.5109 0.1200-0.0119 ( 3523 PWs) bands (ev): -8.7253 -8.7245 -8.6823 -8.6823 -8.6681 -8.6681 -8.6333 -8.6327 -7.9069 -7.9037 -7.8642 -7.8634 -7.8587 -7.8576 -7.8007 -7.8002 -7.7510 -7.7506 -7.6870 -7.6870 -7.0310 -7.0294 -6.9327 -6.9314 0.4162 0.4162 2.0168 2.0169 4.7994 4.8010 4.9747 4.9754 5.0921 5.0927 5.3044 5.3051 6.3700 6.3799 6.9127 6.9214 8.5762 8.5767 10.4470 10.4523 10.8252 10.8259 k = 0.5073 0.1191 0.0155 ( 3530 PWs) bands (ev): -8.7246 -8.7240 -8.6820 -8.6820 -8.6676 -8.6676 -8.6333 -8.6329 -7.9022 -7.8998 -7.8631 -7.8625 -7.8592 -7.8584 -7.8006 -7.8002 -7.7520 -7.7518 -7.6877 -7.6877 -7.0371 -7.0360 -6.9394 -6.9386 0.4140 0.4140 2.0138 2.0138 4.8214 4.8223 5.0118 5.0126 5.1119 5.1121 5.3361 5.3363 6.3763 6.3842 6.8557 6.8625 8.5418 8.5422 10.4607 10.4642 10.8375 10.8378 k = 0.5036 0.1182 0.0429 ( 3536 PWs) bands (ev): -8.7241 -8.7238 -8.6819 -8.6819 -8.6673 -8.6673 -8.6333 -8.6331 -7.8989 -7.8976 -7.8620 -7.8617 -7.8599 -7.8595 -7.8005 -7.8002 -7.7527 -7.7526 -7.6881 -7.6881 -7.0406 -7.0401 -6.9434 -6.9430 0.4127 0.4127 2.0119 2.0119 4.8342 4.8347 5.0334 5.0339 5.1241 5.1241 5.3586 5.3586 6.3815 6.3859 6.8198 6.8237 8.5207 8.5209 10.4685 10.4703 10.8462 10.8462 k = 0.5000 0.1174 0.0703 ( 3536 PWs) bands (ev): -8.7238 -8.7238 -8.6818 -8.6818 -8.6672 -8.6672 -8.6333 -8.6333 -7.8973 -7.8973 -7.8608 -7.8608 -7.8608 -7.8608 -7.8003 -7.8003 -7.7529 -7.7529 -7.6883 -7.6883 -7.0416 -7.0416 -6.9446 -6.9446 0.4122 0.4122 2.0113 2.0113 4.8386 4.8386 5.0407 5.0407 5.1282 5.1282 5.3668 5.3668 6.3849 6.3849 6.8088 6.8088 8.5136 8.5136 10.4716 10.4716 10.8493 10.8493 k = 0.5000-1.0061-0.6022 ( 3502 PWs) bands (ev): -8.8199 -8.8199 -8.7902 -8.7902 -8.6831 -8.6831 -8.6356 -8.6356 -8.0589 -8.0589 -7.9685 -7.9685 -7.8630 -7.8630 -7.7711 -7.7711 -7.7337 -7.7337 -7.6163 -7.6163 -5.9086 -5.9086 -5.7414 -5.7414 -0.0708 -0.0708 0.6932 0.6932 2.8860 2.8860 3.9028 3.9028 4.0119 4.0119 4.1550 4.1550 4.7024 4.7024 7.5756 7.5756 8.3299 8.3299 9.9879 9.9879 10.3421 10.3421 k = 0.5247-0.9971-0.5968 ( 3487 PWs) bands (ev): -8.8201 -8.8197 -8.7905 -8.7899 -8.6831 -8.6830 -8.6356 -8.6356 -8.0591 -8.0588 -7.9687 -7.9682 -7.8630 -7.8629 -7.7711 -7.7711 -7.7337 -7.7337 -7.6163 -7.6162 -5.9087 -5.9079 -5.7421 -5.7413 -0.0706 -0.0704 0.6925 0.6931 2.8866 2.8881 3.8995 3.9042 4.0114 4.0124 4.1532 4.1589 4.7001 4.7016 7.5780 7.5823 8.3227 8.3284 9.9759 9.9941 10.3296 10.3547 k = 0.5494-0.9881-0.5914 ( 3487 PWs) bands (ev): -8.8203 -8.8194 -8.7908 -8.7897 -8.6831 -8.6830 -8.6356 -8.6355 -8.0593 -8.0587 -7.9689 -7.9678 -7.8630 -7.8629 -7.7711 -7.7711 -7.7338 -7.7337 -7.6164 -7.6161 -5.9083 -5.9066 -5.7436 -5.7420 -0.0701 -0.0696 0.6910 0.6921 2.8897 2.8929 3.8945 3.9034 4.0106 4.0132 4.1531 4.1647 4.6951 4.6981 7.5893 7.5980 8.3068 8.3182 9.9590 9.9939 10.3177 10.3660 k = 0.5740-0.9790-0.5860 ( 3489 PWs) bands (ev): -8.8204 -8.8191 -8.7911 -8.7894 -8.6831 -8.6830 -8.6357 -8.6355 -8.0596 -8.0588 -7.9690 -7.9674 -7.8630 -7.8629 -7.7712 -7.7710 -7.7338 -7.7338 -7.6164 -7.6161 -5.9073 -5.9047 -5.7457 -5.7433 -0.0690 -0.0684 0.6886 0.6903 2.8956 2.9002 3.8878 3.8999 4.0094 4.0147 4.1546 4.1721 4.6880 4.6923 7.6090 7.6224 8.2826 8.3000 9.9384 9.9871 10.3066 10.3747 k = 0.5987-0.9700-0.5806 ( 3494 PWs) bands (ev): -8.8205 -8.8189 -8.7914 -8.7892 -8.6831 -8.6830 -8.6357 -8.6355 -8.0600 -8.0589 -7.9691 -7.9670 -7.8630 -7.8629 -7.7712 -7.7710 -7.7338 -7.7338 -7.6165 -7.6161 -5.9058 -5.9023 -5.7485 -5.7453 -0.0675 -0.0667 0.6854 0.6877 2.9040 2.9101 3.8795 3.8936 4.0073 4.0164 4.1572 4.1805 4.6800 4.6856 7.6362 7.6547 8.2509 8.2745 9.9149 9.9744 10.2958 10.3797 k = 0.6234-0.9610-0.5752 ( 3497 PWs) bands (ev): -8.8205 -8.8186 -8.7917 -8.7891 -8.6831 -8.6829 -8.6357 -8.6355 -8.0604 -8.0592 -7.9690 -7.9666 -7.8630 -7.8629 -7.7712 -7.7710 -7.7339 -7.7338 -7.6165 -7.6160 -5.9037 -5.8994 -5.7520 -5.7480 -0.0656 -0.0646 0.6815 0.6843 2.9152 2.9227 3.8695 3.8847 4.0041 4.0175 4.1609 4.1896 4.6725 4.6790 7.6698 7.6943 8.2126 8.2429 9.8895 9.9568 10.2841 10.3797 k = 0.6481-0.9520-0.5698 ( 3501 PWs) bands (ev): -8.8205 -8.8183 -8.7919 -8.7889 -8.6831 -8.6829 -8.6358 -8.6355 -8.0608 -8.0594 -7.9689 -7.9661 -7.8630 -7.8629 -7.7712 -7.7710 -7.7339 -7.7339 -7.6166 -7.6160 -5.9011 -5.8960 -5.7560 -5.7513 -0.0631 -0.0620 0.6770 0.6801 2.9289 2.9377 3.8575 3.8732 3.9990 4.0166 4.1659 4.1989 4.6670 4.6742 7.7082 7.7399 8.1688 8.2070 9.8627 9.9356 10.2702 10.3740 k = 0.6728-0.9429-0.5644 ( 3497 PWs) bands (ev): -8.8204 -8.8181 -8.7920 -8.7888 -8.6831 -8.6828 -8.6358 -8.6355 -8.0612 -8.0598 -7.9687 -7.9657 -7.8630 -7.8629 -7.7712 -7.7710 -7.7340 -7.7339 -7.6166 -7.6160 -5.8979 -5.8922 -5.7607 -5.7553 -0.0602 -0.0589 0.6718 0.6753 2.9451 2.9551 3.8435 3.8594 3.9916 4.0124 4.1725 4.2083 4.6648 4.6723 7.7489 7.7902 8.1211 8.1692 9.8353 9.9119 10.2532 10.3622 k = 0.6974-0.9339-0.5590 ( 3497 PWs) bands (ev): -8.8203 -8.8178 -8.7921 -8.7888 -8.6831 -8.6828 -8.6358 -8.6355 -8.0617 -8.0602 -7.9684 -7.9654 -7.8631 -7.8629 -7.7712 -7.7710 -7.7341 -7.7340 -7.6167 -7.6160 -5.8943 -5.8879 -5.7659 -5.7599 -0.0569 -0.0554 0.6660 0.6698 2.9637 2.9748 3.8271 3.8432 3.9817 4.0040 4.1811 4.2177 4.6672 4.6746 7.7882 7.8428 8.0719 8.1334 9.8077 9.8868 10.2324 10.3441 k = 0.7221-0.9249-0.5536 ( 3499 PWs) bands (ev): -8.8201 -8.8177 -8.7922 -8.7888 -8.6830 -8.6828 -8.6358 -8.6355 -8.0621 -8.0607 -7.9681 -7.9650 -7.8631 -7.8630 -7.7713 -7.7710 -7.7341 -7.7341 -7.6167 -7.6160 -5.8903 -5.8832 -5.7716 -5.7650 -0.0531 -0.0514 0.6599 0.6639 2.9844 2.9965 3.8080 3.8244 3.9695 3.9916 4.1915 4.2270 4.6746 4.6814 7.8192 7.8912 8.0275 8.1063 9.7804 9.8611 10.2076 10.3200 k = 0.7468-0.9158-0.5482 ( 3506 PWs) bands (ev): -8.8199 -8.8175 -8.7921 -8.7889 -8.6830 -8.6828 -8.6358 -8.6355 -8.0625 -8.0611 -7.9677 -7.9647 -7.8631 -7.8630 -7.7713 -7.7710 -7.7342 -7.7341 -7.6167 -7.6160 -5.8858 -5.8781 -5.7778 -5.7706 -0.0488 -0.0471 0.6534 0.6575 3.0069 3.0198 3.7860 3.8029 3.9558 3.9763 4.2032 4.2362 4.6871 4.6929 7.8323 7.9082 8.0153 8.0975 9.7538 9.8354 10.1793 10.2907 k = 0.7715-0.9068-0.5428 ( 3508 PWs) bands (ev): -8.8196 -8.8175 -8.7920 -8.7890 -8.6830 -8.6827 -8.6358 -8.6356 -8.0628 -8.0616 -7.9673 -7.9645 -7.8631 -7.8630 -7.7713 -7.7710 -7.7342 -7.7342 -7.6167 -7.6160 -5.8809 -5.8728 -5.7845 -5.7767 -0.0441 -0.0423 0.6467 0.6508 3.0306 3.0441 3.7611 3.7786 3.9417 3.9599 4.2156 4.2453 4.7041 4.7087 7.8216 7.8740 8.0546 8.1127 9.7284 9.8101 10.1482 10.2571 k = 0.7962-0.8978-0.5374 ( 3498 PWs) bands (ev): -8.8193 -8.8175 -8.7918 -8.7891 -8.6829 -8.6827 -8.6359 -8.6356 -8.0631 -8.0621 -7.9669 -7.9643 -7.8631 -7.8630 -7.7713 -7.7710 -7.7343 -7.7342 -7.6167 -7.6160 -5.8757 -5.8672 -5.7914 -5.7833 -0.0390 -0.0372 0.6399 0.6440 3.0548 3.0685 3.7338 3.7517 3.9285 3.9440 4.2281 4.2540 4.7248 4.7281 7.7927 7.8247 8.1092 8.1460 9.7046 9.7856 10.1157 10.2205 k = 0.8209-0.8887-0.5320 ( 3497 PWs) bands (ev): -8.8190 -8.8175 -8.7916 -8.7893 -8.6829 -8.6827 -8.6359 -8.6356 -8.0634 -8.0626 -7.9664 -7.9642 -7.8631 -7.8630 -7.7713 -7.7710 -7.7343 -7.7343 -7.6167 -7.6161 -5.8702 -5.8614 -5.7987 -5.7902 -0.0337 -0.0318 0.6332 0.6372 3.0783 3.0920 3.7055 3.7234 3.9169 3.9297 4.2401 4.2622 4.7482 4.7501 7.7548 7.7740 8.1648 8.1877 9.6832 9.7622 10.0832 10.1823 Writing output data file InSe.save init_run : 4.28s CPU 14.65s WALL ( 1 calls) electrons : 678.78s CPU 686.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 3.34s WALL ( 1 calls) potinit : 0.74s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 678.77s CPU 685.80s WALL ( 1 calls) v_of_rho : 0.32s CPU 0.79s WALL ( 1 calls) v_h : 0.11s CPU 0.12s WALL ( 1 calls) v_xc : 0.20s CPU 0.64s WALL ( 1 calls) newd : 0.15s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.13s WALL ( 298 calls) cegterg : 552.84s CPU 555.57s WALL ( 590 calls) Called by sum_band: Called by *egterg: h_psi : 409.38s CPU 415.02s WALL ( 8231 calls) s_psi : 11.99s CPU 12.40s WALL ( 8231 calls) g_psi : 0.34s CPU 0.37s WALL ( 7343 calls) cdiaghg : 108.36s CPU 106.90s WALL ( 7641 calls) cegterg:over : 29.22s CPU 27.07s WALL ( 7343 calls) cegterg:upda : 4.21s CPU 6.22s WALL ( 7343 calls) cegterg:last : 4.03s CPU 4.64s WALL ( 1484 calls) Called by h_psi: h_psi:vloc : 383.84s CPU 388.43s WALL ( 8231 calls) h_psi:vnl : 25.38s CPU 26.08s WALL ( 8231 calls) add_vuspsi : 6.81s CPU 9.38s WALL ( 8231 calls) General routines calbec : 18.55s CPU 16.64s WALL ( 8231 calls) fft : 0.78s CPU 1.54s WALL ( 19 calls) ffts : 0.04s CPU 0.06s WALL ( 4 calls) fftw : 352.49s CPU 358.24s WALL ( 826000 calls) interpolate : 0.30s CPU 0.33s WALL ( 4 calls) davcio : 0.03s CPU 3.89s WALL ( 596 calls) Parallel routines fft_scatter : 169.20s CPU 169.31s WALL ( 826023 calls) PWSCF : 12m16.87s CPU 14m39.33s WALL This run was terminated on: 17:37:31 20Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=