Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:25:33 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./PdxSeBr3x2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 30 8 5547 1568 232 Max 71 31 9 5553 1596 239 Sum 5061 2187 615 399601 113899 16903 bravais-lattice index = 14 lattice parameter (alat) = 8.5718 a.u. unit-cell volume = 1860.3183 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.571797 celldm(2)= 1.595679 celldm(3)= 1.952381 celldm(4)= -0.265556 celldm(5)= -0.136753 celldm(6)= -0.078459 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.125196 1.590760 0.000000 ) a(3) = ( -0.266994 -0.541083 1.856808 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.078702 0.166726 ) b(2) = ( 0.000000 0.628630 0.183186 ) b(3) = ( 0.000000 0.000000 0.538559 ) PseudoPot. # 1 for Se read from file: /users/gautes/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 PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Br 7.00 79.90400 Br( 1.00) Pd 18.00 106.42000 Pd( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 232 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.3143152 -0.0915930), wk = 0.0043103 k( 2) = ( 0.0000000 -0.3006493 -0.0876107), wk = 0.0043103 k( 3) = ( 0.0000000 -0.2869834 -0.0836284), wk = 0.0043103 k( 4) = ( 0.0000000 -0.2733175 -0.0796461), wk = 0.0043103 k( 5) = ( 0.0000000 -0.2596517 -0.0756638), wk = 0.0043103 k( 6) = ( 0.0000000 -0.2459858 -0.0716814), wk = 0.0043103 k( 7) = ( 0.0000000 -0.2323199 -0.0676991), wk = 0.0043103 k( 8) = ( 0.0000000 -0.2186540 -0.0637168), wk = 0.0043103 k( 9) = ( 0.0000000 -0.2049881 -0.0597345), wk = 0.0043103 k( 10) = ( 0.0000000 -0.1913223 -0.0557522), wk = 0.0043103 k( 11) = ( 0.0000000 -0.1776564 -0.0517699), wk = 0.0043103 k( 12) = ( 0.0000000 -0.1639905 -0.0477876), wk = 0.0043103 k( 13) = ( 0.0000000 -0.1503246 -0.0438053), wk = 0.0043103 k( 14) = ( 0.0000000 -0.1366588 -0.0398230), wk = 0.0043103 k( 15) = ( 0.0000000 -0.1229929 -0.0358407), wk = 0.0043103 k( 16) = ( 0.0000000 -0.1093270 -0.0318584), wk = 0.0043103 k( 17) = ( 0.0000000 -0.0956611 -0.0278761), wk = 0.0043103 k( 18) = ( 0.0000000 -0.0819953 -0.0238938), wk = 0.0043103 k( 19) = ( 0.0000000 -0.0683294 -0.0199115), wk = 0.0043103 k( 20) = ( 0.0000000 -0.0546635 -0.0159292), wk = 0.0043103 k( 21) = ( 0.0000000 -0.0409976 -0.0119469), wk = 0.0043103 k( 22) = ( 0.0000000 -0.0273318 -0.0079646), wk = 0.0043103 k( 23) = ( 0.0000000 -0.0136659 -0.0039823), wk = 0.0043103 k( 24) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 26) = ( 0.0138889 0.0010931 0.0023156), wk = 0.0043103 k( 27) = ( 0.0277778 0.0021862 0.0046313), wk = 0.0043103 k( 28) = ( 0.0416667 0.0032792 0.0069469), wk = 0.0043103 k( 29) = ( 0.0555556 0.0043723 0.0092626), wk = 0.0043103 k( 30) = ( 0.0694444 0.0054654 0.0115782), wk = 0.0043103 k( 31) = ( 0.0833333 0.0065585 0.0138938), wk = 0.0043103 k( 32) = ( 0.0972222 0.0076516 0.0162095), wk = 0.0043103 k( 33) = ( 0.1111111 0.0087446 0.0185251), wk = 0.0043103 k( 34) = ( 0.1250000 0.0098377 0.0208407), wk = 0.0043103 k( 35) = ( 0.1388889 0.0109308 0.0231564), wk = 0.0043103 k( 36) = ( 0.1527778 0.0120239 0.0254720), wk = 0.0043103 k( 37) = ( 0.1666667 0.0131170 0.0277877), wk = 0.0043103 k( 38) = ( 0.1805556 0.0142100 0.0301033), wk = 0.0043103 k( 39) = ( 0.1944444 0.0153031 0.0324189), wk = 0.0043103 k( 40) = ( 0.2083333 0.0163962 0.0347346), wk = 0.0043103 k( 41) = ( 0.2222222 0.0174893 0.0370502), wk = 0.0043103 k( 42) = ( 0.2361111 0.0185823 0.0393659), wk = 0.0043103 k( 43) = ( 0.2500000 0.0196754 0.0416815), wk = 0.0043103 k( 44) = ( 0.2638889 0.0207685 0.0439971), wk = 0.0043103 k( 45) = ( 0.2777778 0.0218616 0.0463128), wk = 0.0043103 k( 46) = ( 0.2916667 0.0229547 0.0486284), wk = 0.0043103 k( 47) = ( 0.3055556 0.0240477 0.0509441), wk = 0.0043103 k( 48) = ( 0.3194444 0.0251408 0.0532597), wk = 0.0043103 k( 49) = ( 0.3333333 0.0262339 0.0555753), wk = 0.0043103 k( 50) = ( 0.3472222 0.0273270 0.0578910), wk = 0.0043103 k( 51) = ( 0.3611111 0.0284201 0.0602066), wk = 0.0043103 k( 52) = ( 0.3750000 0.0295131 0.0625222), wk = 0.0043103 k( 53) = ( 0.3888889 0.0306062 0.0648379), wk = 0.0043103 k( 54) = ( 0.4027778 0.0316993 0.0671535), wk = 0.0043103 k( 55) = ( 0.4166667 0.0327924 0.0694692), wk = 0.0043103 k( 56) = ( 0.4305556 0.0338855 0.0717848), wk = 0.0043103 k( 57) = ( 0.4444444 0.0349785 0.0741004), wk = 0.0043103 k( 58) = ( 0.4583333 0.0360716 0.0764161), wk = 0.0043103 k( 59) = ( 0.4722222 0.0371647 0.0787317), wk = 0.0043103 k( 60) = ( 0.4861111 0.0382578 0.0810474), wk = 0.0043103 k( 61) = ( 0.5000000 0.0393509 0.0833630), wk = 0.0043103 k( 62) = ( 0.5000000 -0.2749643 -0.0082300), wk = 0.0043103 k( 63) = ( 0.4875000 -0.2680902 -0.0080242), wk = 0.0043103 k( 64) = ( 0.4750000 -0.2612161 -0.0078185), wk = 0.0043103 k( 65) = ( 0.4625000 -0.2543420 -0.0076127), wk = 0.0043103 k( 66) = ( 0.4500000 -0.2474679 -0.0074070), wk = 0.0043103 k( 67) = ( 0.4375000 -0.2405938 -0.0072012), wk = 0.0043103 k( 68) = ( 0.4250000 -0.2337197 -0.0069955), wk = 0.0043103 k( 69) = ( 0.4125000 -0.2268456 -0.0067897), wk = 0.0043103 k( 70) = ( 0.4000000 -0.2199714 -0.0065840), wk = 0.0043103 k( 71) = ( 0.3875000 -0.2130973 -0.0063782), wk = 0.0043103 k( 72) = ( 0.3750000 -0.2062232 -0.0061725), wk = 0.0043103 k( 73) = ( 0.3625000 -0.1993491 -0.0059667), wk = 0.0043103 k( 74) = ( 0.3500000 -0.1924750 -0.0057610), wk = 0.0043103 k( 75) = ( 0.3375000 -0.1856009 -0.0055552), wk = 0.0043103 k( 76) = ( 0.3250000 -0.1787268 -0.0053495), wk = 0.0043103 k( 77) = ( 0.3125000 -0.1718527 -0.0051437), wk = 0.0043103 k( 78) = ( 0.3000000 -0.1649786 -0.0049380), wk = 0.0043103 k( 79) = ( 0.2875000 -0.1581045 -0.0047322), wk = 0.0043103 k( 80) = ( 0.2750000 -0.1512304 -0.0045265), wk = 0.0043103 k( 81) = ( 0.2625000 -0.1443563 -0.0043207), wk = 0.0043103 k( 82) = ( 0.2500000 -0.1374822 -0.0041150), wk = 0.0043103 k( 83) = ( 0.2375000 -0.1306080 -0.0039092), wk = 0.0043103 k( 84) = ( 0.2250000 -0.1237339 -0.0037035), wk = 0.0043103 k( 85) = ( 0.2125000 -0.1168598 -0.0034977), wk = 0.0043103 k( 86) = ( 0.2000000 -0.1099857 -0.0032920), wk = 0.0043103 k( 87) = ( 0.1875000 -0.1031116 -0.0030862), wk = 0.0043103 k( 88) = ( 0.1750000 -0.0962375 -0.0028805), wk = 0.0043103 k( 89) = ( 0.1625000 -0.0893634 -0.0026747), wk = 0.0043103 k( 90) = ( 0.1500000 -0.0824893 -0.0024690), wk = 0.0043103 k( 91) = ( 0.1375000 -0.0756152 -0.0022632), wk = 0.0043103 k( 92) = ( 0.1250000 -0.0687411 -0.0020575), wk = 0.0043103 k( 93) = ( 0.1125000 -0.0618670 -0.0018517), wk = 0.0043103 k( 94) = ( 0.1000000 -0.0549929 -0.0016460), wk = 0.0043103 k( 95) = ( 0.0875000 -0.0481188 -0.0014402), wk = 0.0043103 k( 96) = ( 0.0750000 -0.0412446 -0.0012345), wk = 0.0043103 k( 97) = ( 0.0625000 -0.0343705 -0.0010287), wk = 0.0043103 k( 98) = ( 0.0500000 -0.0274964 -0.0008230), wk = 0.0043103 k( 99) = ( 0.0375000 -0.0206223 -0.0006172), wk = 0.0043103 k( 100) = ( 0.0250000 -0.0137482 -0.0004115), wk = 0.0043103 k( 101) = ( 0.0125000 -0.0068741 -0.0002057), wk = 0.0043103 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 104) = ( -0.0131579 -0.0010355 0.0048925), wk = 0.0043103 k( 105) = ( -0.0263158 -0.0020711 0.0097851), wk = 0.0043103 k( 106) = ( -0.0394737 -0.0031066 0.0146776), wk = 0.0043103 k( 107) = ( -0.0526316 -0.0041422 0.0195701), wk = 0.0043103 k( 108) = ( -0.0657895 -0.0051777 0.0244627), wk = 0.0043103 k( 109) = ( -0.0789474 -0.0062133 0.0293552), wk = 0.0043103 k( 110) = ( -0.0921053 -0.0072488 0.0342478), wk = 0.0043103 k( 111) = ( -0.1052632 -0.0082844 0.0391403), wk = 0.0043103 k( 112) = ( -0.1184210 -0.0093199 0.0440328), wk = 0.0043103 k( 113) = ( -0.1315790 -0.0103555 0.0489254), wk = 0.0043103 k( 114) = ( -0.1447368 -0.0113910 0.0538179), wk = 0.0043103 k( 115) = ( -0.1578947 -0.0124266 0.0587104), wk = 0.0043103 k( 116) = ( -0.1710526 -0.0134621 0.0636030), wk = 0.0043103 k( 117) = ( -0.1842105 -0.0144977 0.0684955), wk = 0.0043103 k( 118) = ( -0.1973684 -0.0155332 0.0733880), wk = 0.0043103 k( 119) = ( -0.2105263 -0.0165688 0.0782806), wk = 0.0043103 k( 120) = ( -0.2236842 -0.0176043 0.0831731), wk = 0.0043103 k( 121) = ( -0.2368421 -0.0186399 0.0880656), wk = 0.0043103 k( 122) = ( -0.2500000 -0.0196754 0.0929582), wk = 0.0043103 k( 123) = ( -0.2631579 -0.0207110 0.0978507), wk = 0.0043103 k( 124) = ( -0.2763158 -0.0217465 0.1027433), wk = 0.0043103 k( 125) = ( -0.2894737 -0.0227821 0.1076358), wk = 0.0043103 k( 126) = ( -0.3026316 -0.0238176 0.1125283), wk = 0.0043103 k( 127) = ( -0.3157895 -0.0248532 0.1174209), wk = 0.0043103 k( 128) = ( -0.3289474 -0.0258887 0.1223134), wk = 0.0043103 k( 129) = ( -0.3421053 -0.0269243 0.1272059), wk = 0.0043103 k( 130) = ( -0.3552632 -0.0279598 0.1320985), wk = 0.0043103 k( 131) = ( -0.3684211 -0.0289954 0.1369910), wk = 0.0043103 k( 132) = ( -0.3815789 -0.0300309 0.1418835), wk = 0.0043103 k( 133) = ( -0.3947368 -0.0310665 0.1467761), wk = 0.0043103 k( 134) = ( -0.4078947 -0.0321020 0.1516686), wk = 0.0043103 k( 135) = ( -0.4210526 -0.0331376 0.1565611), wk = 0.0043103 k( 136) = ( -0.4342105 -0.0341731 0.1614537), wk = 0.0043103 k( 137) = ( -0.4473684 -0.0352087 0.1663462), wk = 0.0043103 k( 138) = ( -0.4605263 -0.0362442 0.1712388), wk = 0.0043103 k( 139) = ( -0.4736842 -0.0372798 0.1761313), wk = 0.0043103 k( 140) = ( -0.4868421 -0.0383153 0.1810238), wk = 0.0043103 k( 141) = ( -0.5000000 -0.0393509 0.1859164), wk = 0.0043103 k( 142) = ( -0.5000000 -0.3536660 0.0943234), wk = 0.0043103 k( 143) = ( -0.4883721 -0.3454412 0.0921298), wk = 0.0043103 k( 144) = ( -0.4767442 -0.3372164 0.0899363), wk = 0.0043103 k( 145) = ( -0.4651163 -0.3289916 0.0877427), wk = 0.0043103 k( 146) = ( -0.4534884 -0.3207668 0.0855491), wk = 0.0043103 k( 147) = ( -0.4418605 -0.3125421 0.0833556), wk = 0.0043103 k( 148) = ( -0.4302326 -0.3043173 0.0811620), wk = 0.0043103 k( 149) = ( -0.4186047 -0.2960925 0.0789684), wk = 0.0043103 k( 150) = ( -0.4069767 -0.2878677 0.0767749), wk = 0.0043103 k( 151) = ( -0.3953488 -0.2796429 0.0745813), wk = 0.0043103 k( 152) = ( -0.3837209 -0.2714181 0.0723877), wk = 0.0043103 k( 153) = ( -0.3720930 -0.2631933 0.0701942), wk = 0.0043103 k( 154) = ( -0.3604651 -0.2549685 0.0680006), wk = 0.0043103 k( 155) = ( -0.3488372 -0.2467437 0.0658070), wk = 0.0043103 k( 156) = ( -0.3372093 -0.2385189 0.0636135), wk = 0.0043103 k( 157) = ( -0.3255814 -0.2302941 0.0614199), wk = 0.0043103 k( 158) = ( -0.3139535 -0.2220694 0.0592263), wk = 0.0043103 k( 159) = ( -0.3023256 -0.2138446 0.0570328), wk = 0.0043103 k( 160) = ( -0.2906977 -0.2056198 0.0548392), wk = 0.0043103 k( 161) = ( -0.2790698 -0.1973950 0.0526456), wk = 0.0043103 k( 162) = ( -0.2674419 -0.1891702 0.0504521), wk = 0.0043103 k( 163) = ( -0.2558140 -0.1809454 0.0482585), wk = 0.0043103 k( 164) = ( -0.2441860 -0.1727206 0.0460649), wk = 0.0043103 k( 165) = ( -0.2325581 -0.1644958 0.0438714), wk = 0.0043103 k( 166) = ( -0.2209302 -0.1562710 0.0416778), wk = 0.0043103 k( 167) = ( -0.2093023 -0.1480462 0.0394842), wk = 0.0043103 k( 168) = ( -0.1976744 -0.1398214 0.0372906), wk = 0.0043103 k( 169) = ( -0.1860465 -0.1315967 0.0350971), wk = 0.0043103 k( 170) = ( -0.1744186 -0.1233719 0.0329035), wk = 0.0043103 k( 171) = ( -0.1627907 -0.1151471 0.0307099), wk = 0.0043103 k( 172) = ( -0.1511628 -0.1069223 0.0285164), wk = 0.0043103 k( 173) = ( -0.1395349 -0.0986975 0.0263228), wk = 0.0043103 k( 174) = ( -0.1279070 -0.0904727 0.0241292), wk = 0.0043103 k( 175) = ( -0.1162791 -0.0822479 0.0219357), wk = 0.0043103 k( 176) = ( -0.1046512 -0.0740231 0.0197421), wk = 0.0043103 k( 177) = ( -0.0930233 -0.0657983 0.0175485), wk = 0.0043103 k( 178) = ( -0.0813954 -0.0575735 0.0153550), wk = 0.0043103 k( 179) = ( -0.0697674 -0.0493487 0.0131614), wk = 0.0043103 k( 180) = ( -0.0581395 -0.0411240 0.0109678), wk = 0.0043103 k( 181) = ( -0.0465116 -0.0328992 0.0087743), wk = 0.0043103 k( 182) = ( -0.0348837 -0.0246744 0.0065807), wk = 0.0043103 k( 183) = ( -0.0232558 -0.0164496 0.0043871), wk = 0.0043103 k( 184) = ( -0.0116279 -0.0082248 0.0021936), wk = 0.0043103 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 187) = ( 0.0000000 0.0000000 0.0141726), wk = 0.0043103 k( 188) = ( 0.0000000 0.0000000 0.0283452), wk = 0.0043103 k( 189) = ( 0.0000000 0.0000000 0.0425178), wk = 0.0043103 k( 190) = ( 0.0000000 0.0000000 0.0566904), wk = 0.0043103 k( 191) = ( 0.0000000 0.0000000 0.0708630), wk = 0.0043103 k( 192) = ( 0.0000000 0.0000000 0.0850356), wk = 0.0043103 k( 193) = ( 0.0000000 0.0000000 0.0992082), wk = 0.0043103 k( 194) = ( 0.0000000 0.0000000 0.1133808), wk = 0.0043103 k( 195) = ( 0.0000000 0.0000000 0.1275534), wk = 0.0043103 k( 196) = ( 0.0000000 0.0000000 0.1417260), wk = 0.0043103 k( 197) = ( 0.0000000 0.0000000 0.1558986), wk = 0.0043103 k( 198) = ( 0.0000000 0.0000000 0.1700712), wk = 0.0043103 k( 199) = ( 0.0000000 0.0000000 0.1842438), wk = 0.0043103 k( 200) = ( 0.0000000 0.0000000 0.1984164), wk = 0.0043103 k( 201) = ( 0.0000000 0.0000000 0.2125890), wk = 0.0043103 k( 202) = ( 0.0000000 0.0000000 0.2267616), wk = 0.0043103 k( 203) = ( 0.0000000 0.0000000 0.2409342), wk = 0.0043103 k( 204) = ( 0.0000000 0.0000000 0.2551068), wk = 0.0043103 k( 205) = ( 0.0000000 0.0000000 0.2692794), wk = 0.0043103 k( 206) = ( 0.0000000 -0.3143152 0.1776864), wk = 0.0043103 k( 207) = ( 0.0000000 -0.3022261 0.1708523), wk = 0.0043103 k( 208) = ( 0.0000000 -0.2901371 0.1640182), wk = 0.0043103 k( 209) = ( 0.0000000 -0.2780480 0.1571841), wk = 0.0043103 k( 210) = ( 0.0000000 -0.2659590 0.1503500), wk = 0.0043103 k( 211) = ( 0.0000000 -0.2538699 0.1435159), wk = 0.0043103 k( 212) = ( 0.0000000 -0.2417809 0.1366818), wk = 0.0043103 k( 213) = ( 0.0000000 -0.2296918 0.1298478), wk = 0.0043103 k( 214) = ( 0.0000000 -0.2176028 0.1230137), wk = 0.0043103 k( 215) = ( 0.0000000 -0.2055138 0.1161796), wk = 0.0043103 k( 216) = ( 0.0000000 -0.1934247 0.1093455), wk = 0.0043103 k( 217) = ( 0.0000000 -0.1813357 0.1025114), wk = 0.0043103 k( 218) = ( 0.0000000 -0.1692466 0.0956773), wk = 0.0043103 k( 219) = ( 0.0000000 -0.1571576 0.0888432), wk = 0.0043103 k( 220) = ( 0.0000000 -0.1450685 0.0820091), wk = 0.0043103 k( 221) = ( 0.0000000 -0.1329795 0.0751750), wk = 0.0043103 k( 222) = ( 0.0000000 -0.1208904 0.0683409), wk = 0.0043103 k( 223) = ( 0.0000000 -0.1088014 0.0615068), wk = 0.0043103 k( 224) = ( 0.0000000 -0.0967124 0.0546727), wk = 0.0043103 k( 225) = ( 0.0000000 -0.0846233 0.0478386), wk = 0.0043103 k( 226) = ( 0.0000000 -0.0725343 0.0410046), wk = 0.0043103 k( 227) = ( 0.0000000 -0.0604452 0.0341705), wk = 0.0043103 k( 228) = ( 0.0000000 -0.0483562 0.0273364), wk = 0.0043103 k( 229) = ( 0.0000000 -0.0362671 0.0205023), wk = 0.0043103 k( 230) = ( 0.0000000 -0.0241781 0.0136682), wk = 0.0043103 k( 231) = ( 0.0000000 -0.0120890 0.0068341), wk = 0.0043103 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0000000 -0.4782609 -0.0000000), wk = 0.0043103 k( 3) = ( 0.0000000 -0.4565217 0.0000000), wk = 0.0043103 k( 4) = ( 0.0000000 -0.4347826 -0.0000000), wk = 0.0043103 k( 5) = ( 0.0000000 -0.4130435 0.0000000), wk = 0.0043103 k( 6) = ( 0.0000000 -0.3913044 -0.0000000), wk = 0.0043103 k( 7) = ( 0.0000000 -0.3695652 0.0000000), wk = 0.0043103 k( 8) = ( 0.0000000 -0.3478261 0.0000000), wk = 0.0043103 k( 9) = ( 0.0000000 -0.3260870 0.0000000), wk = 0.0043103 k( 10) = ( 0.0000000 -0.3043478 0.0000000), wk = 0.0043103 k( 11) = ( 0.0000000 -0.2826087 0.0000000), wk = 0.0043103 k( 12) = ( 0.0000000 -0.2608696 -0.0000000), wk = 0.0043103 k( 13) = ( 0.0000000 -0.2391304 0.0000000), wk = 0.0043103 k( 14) = ( 0.0000000 -0.2173913 0.0000000), wk = 0.0043103 k( 15) = ( 0.0000000 -0.1956522 0.0000000), wk = 0.0043103 k( 16) = ( 0.0000000 -0.1739130 -0.0000000), wk = 0.0043103 k( 17) = ( 0.0000000 -0.1521739 0.0000000), wk = 0.0043103 k( 18) = ( 0.0000000 -0.1304348 0.0000000), wk = 0.0043103 k( 19) = ( 0.0000000 -0.1086957 0.0000000), wk = 0.0043103 k( 20) = ( 0.0000000 -0.0869565 -0.0000000), wk = 0.0043103 k( 21) = ( 0.0000000 -0.0652174 0.0000000), wk = 0.0043103 k( 22) = ( 0.0000000 -0.0434783 -0.0000000), wk = 0.0043103 k( 23) = ( 0.0000000 -0.0217391 -0.0000000), wk = 0.0043103 k( 24) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 26) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0043103 k( 27) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0043103 k( 28) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0043103 k( 29) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0043103 k( 30) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0043103 k( 31) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0043103 k( 32) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0043103 k( 33) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0043103 k( 34) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0043103 k( 35) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0043103 k( 36) = ( 0.1527778 -0.0000000 -0.0000000), wk = 0.0043103 k( 37) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0043103 k( 38) = ( 0.1805556 -0.0000000 0.0000000), wk = 0.0043103 k( 39) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0043103 k( 40) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0043103 k( 41) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0043103 k( 42) = ( 0.2361111 -0.0000000 0.0000000), wk = 0.0043103 k( 43) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0043103 k( 44) = ( 0.2638889 0.0000000 -0.0000000), wk = 0.0043103 k( 45) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0043103 k( 46) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0043103 k( 47) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0043103 k( 48) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0043103 k( 49) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0043103 k( 50) = ( 0.3472222 0.0000000 0.0000000), wk = 0.0043103 k( 51) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0043103 k( 52) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0043103 k( 53) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0043103 k( 54) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0043103 k( 55) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0043103 k( 56) = ( 0.4305556 -0.0000000 0.0000000), wk = 0.0043103 k( 57) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0043103 k( 58) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0043103 k( 59) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0043103 k( 60) = ( 0.4861111 -0.0000000 0.0000000), wk = 0.0043103 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043103 k( 62) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0043103 k( 63) = ( 0.4875000 -0.4875000 0.0000000), wk = 0.0043103 k( 64) = ( 0.4750000 -0.4750000 0.0000000), wk = 0.0043103 k( 65) = ( 0.4625000 -0.4625000 0.0000000), wk = 0.0043103 k( 66) = ( 0.4500000 -0.4500000 0.0000000), wk = 0.0043103 k( 67) = ( 0.4375000 -0.4375000 0.0000000), wk = 0.0043103 k( 68) = ( 0.4250000 -0.4250000 0.0000000), wk = 0.0043103 k( 69) = ( 0.4125000 -0.4125000 0.0000000), wk = 0.0043103 k( 70) = ( 0.4000000 -0.4000000 -0.0000000), wk = 0.0043103 k( 71) = ( 0.3875000 -0.3875000 0.0000000), wk = 0.0043103 k( 72) = ( 0.3750000 -0.3750000 0.0000000), wk = 0.0043103 k( 73) = ( 0.3625000 -0.3625000 0.0000000), wk = 0.0043103 k( 74) = ( 0.3500000 -0.3500000 0.0000000), wk = 0.0043103 k( 75) = ( 0.3375000 -0.3375000 0.0000000), wk = 0.0043103 k( 76) = ( 0.3250000 -0.3250000 0.0000000), wk = 0.0043103 k( 77) = ( 0.3125000 -0.3125000 0.0000000), wk = 0.0043103 k( 78) = ( 0.3000000 -0.3000000 0.0000000), wk = 0.0043103 k( 79) = ( 0.2875000 -0.2875000 0.0000000), wk = 0.0043103 k( 80) = ( 0.2750000 -0.2750000 0.0000000), wk = 0.0043103 k( 81) = ( 0.2625000 -0.2625000 0.0000000), wk = 0.0043103 k( 82) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0043103 k( 83) = ( 0.2375000 -0.2375000 0.0000000), wk = 0.0043103 k( 84) = ( 0.2250000 -0.2250000 0.0000000), wk = 0.0043103 k( 85) = ( 0.2125000 -0.2125000 0.0000000), wk = 0.0043103 k( 86) = ( 0.2000000 -0.2000000 -0.0000000), wk = 0.0043103 k( 87) = ( 0.1875000 -0.1875000 0.0000000), wk = 0.0043103 k( 88) = ( 0.1750000 -0.1750000 0.0000000), wk = 0.0043103 k( 89) = ( 0.1625000 -0.1625000 0.0000000), wk = 0.0043103 k( 90) = ( 0.1500000 -0.1500000 0.0000000), wk = 0.0043103 k( 91) = ( 0.1375000 -0.1375000 0.0000000), wk = 0.0043103 k( 92) = ( 0.1250000 -0.1250000 0.0000000), wk = 0.0043103 k( 93) = ( 0.1125000 -0.1125000 0.0000000), wk = 0.0043103 k( 94) = ( 0.1000000 -0.1000000 -0.0000000), wk = 0.0043103 k( 95) = ( 0.0875000 -0.0875000 0.0000000), wk = 0.0043103 k( 96) = ( 0.0750000 -0.0750000 0.0000000), wk = 0.0043103 k( 97) = ( 0.0625000 -0.0625000 0.0000000), wk = 0.0043103 k( 98) = ( 0.0500000 -0.0500000 -0.0000000), wk = 0.0043103 k( 99) = ( 0.0375000 -0.0375000 0.0000000), wk = 0.0043103 k( 100) = ( 0.0250000 -0.0250000 -0.0000000), wk = 0.0043103 k( 101) = ( 0.0125000 -0.0125000 -0.0000000), wk = 0.0043103 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 104) = ( -0.0131579 0.0000000 0.0131579), wk = 0.0043103 k( 105) = ( -0.0263158 0.0000000 0.0263158), wk = 0.0043103 k( 106) = ( -0.0394737 0.0000000 0.0394737), wk = 0.0043103 k( 107) = ( -0.0526316 0.0000000 0.0526316), wk = 0.0043103 k( 108) = ( -0.0657895 0.0000000 0.0657895), wk = 0.0043103 k( 109) = ( -0.0789474 0.0000000 0.0789474), wk = 0.0043103 k( 110) = ( -0.0921053 0.0000000 0.0921053), wk = 0.0043103 k( 111) = ( -0.1052632 0.0000000 0.1052632), wk = 0.0043103 k( 112) = ( -0.1184210 -0.0000000 0.1184210), wk = 0.0043103 k( 113) = ( -0.1315790 0.0000000 0.1315790), wk = 0.0043103 k( 114) = ( -0.1447368 0.0000000 0.1447368), wk = 0.0043103 k( 115) = ( -0.1578947 0.0000000 0.1578947), wk = 0.0043103 k( 116) = ( -0.1710526 0.0000000 0.1710526), wk = 0.0043103 k( 117) = ( -0.1842105 0.0000000 0.1842105), wk = 0.0043103 k( 118) = ( -0.1973684 -0.0000000 0.1973684), wk = 0.0043103 k( 119) = ( -0.2105263 0.0000000 0.2105263), wk = 0.0043103 k( 120) = ( -0.2236842 -0.0000000 0.2236842), wk = 0.0043103 k( 121) = ( -0.2368421 0.0000000 0.2368421), wk = 0.0043103 k( 122) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0043103 k( 123) = ( -0.2631579 0.0000000 0.2631579), wk = 0.0043103 k( 124) = ( -0.2763158 0.0000000 0.2763158), wk = 0.0043103 k( 125) = ( -0.2894737 0.0000000 0.2894737), wk = 0.0043103 k( 126) = ( -0.3026316 0.0000000 0.3026316), wk = 0.0043103 k( 127) = ( -0.3157895 0.0000000 0.3157895), wk = 0.0043103 k( 128) = ( -0.3289474 0.0000000 0.3289474), wk = 0.0043103 k( 129) = ( -0.3421053 0.0000000 0.3421053), wk = 0.0043103 k( 130) = ( -0.3552632 0.0000000 0.3552632), wk = 0.0043103 k( 131) = ( -0.3684211 0.0000000 0.3684211), wk = 0.0043103 k( 132) = ( -0.3815789 0.0000000 0.3815789), wk = 0.0043103 k( 133) = ( -0.3947368 -0.0000000 0.3947368), wk = 0.0043103 k( 134) = ( -0.4078947 0.0000000 0.4078947), wk = 0.0043103 k( 135) = ( -0.4210526 0.0000000 0.4210526), wk = 0.0043103 k( 136) = ( -0.4342105 0.0000000 0.4342105), wk = 0.0043103 k( 137) = ( -0.4473684 -0.0000000 0.4473684), wk = 0.0043103 k( 138) = ( -0.4605263 0.0000000 0.4605263), wk = 0.0043103 k( 139) = ( -0.4736842 0.0000000 0.4736842), wk = 0.0043103 k( 140) = ( -0.4868421 -0.0000000 0.4868421), wk = 0.0043103 k( 141) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0043103 k( 142) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0043103 k( 143) = ( -0.4883721 -0.4883721 0.4883721), wk = 0.0043103 k( 144) = ( -0.4767442 -0.4767442 0.4767442), wk = 0.0043103 k( 145) = ( -0.4651163 -0.4651163 0.4651163), wk = 0.0043103 k( 146) = ( -0.4534884 -0.4534884 0.4534884), wk = 0.0043103 k( 147) = ( -0.4418605 -0.4418605 0.4418605), wk = 0.0043103 k( 148) = ( -0.4302326 -0.4302326 0.4302326), wk = 0.0043103 k( 149) = ( -0.4186047 -0.4186047 0.4186047), wk = 0.0043103 k( 150) = ( -0.4069767 -0.4069767 0.4069767), wk = 0.0043103 k( 151) = ( -0.3953488 -0.3953488 0.3953488), wk = 0.0043103 k( 152) = ( -0.3837209 -0.3837209 0.3837209), wk = 0.0043103 k( 153) = ( -0.3720930 -0.3720930 0.3720930), wk = 0.0043103 k( 154) = ( -0.3604651 -0.3604651 0.3604651), wk = 0.0043103 k( 155) = ( -0.3488372 -0.3488372 0.3488372), wk = 0.0043103 k( 156) = ( -0.3372093 -0.3372093 0.3372093), wk = 0.0043103 k( 157) = ( -0.3255814 -0.3255814 0.3255814), wk = 0.0043103 k( 158) = ( -0.3139535 -0.3139535 0.3139535), wk = 0.0043103 k( 159) = ( -0.3023256 -0.3023256 0.3023256), wk = 0.0043103 k( 160) = ( -0.2906977 -0.2906977 0.2906977), wk = 0.0043103 k( 161) = ( -0.2790698 -0.2790698 0.2790698), wk = 0.0043103 k( 162) = ( -0.2674419 -0.2674419 0.2674419), wk = 0.0043103 k( 163) = ( -0.2558140 -0.2558140 0.2558140), wk = 0.0043103 k( 164) = ( -0.2441860 -0.2441861 0.2441860), wk = 0.0043103 k( 165) = ( -0.2325581 -0.2325581 0.2325581), wk = 0.0043103 k( 166) = ( -0.2209302 -0.2209302 0.2209302), wk = 0.0043103 k( 167) = ( -0.2093023 -0.2093023 0.2093023), wk = 0.0043103 k( 168) = ( -0.1976744 -0.1976744 0.1976744), wk = 0.0043103 k( 169) = ( -0.1860465 -0.1860465 0.1860465), wk = 0.0043103 k( 170) = ( -0.1744186 -0.1744186 0.1744186), wk = 0.0043103 k( 171) = ( -0.1627907 -0.1627907 0.1627907), wk = 0.0043103 k( 172) = ( -0.1511628 -0.1511628 0.1511628), wk = 0.0043103 k( 173) = ( -0.1395349 -0.1395349 0.1395349), wk = 0.0043103 k( 174) = ( -0.1279070 -0.1279070 0.1279070), wk = 0.0043103 k( 175) = ( -0.1162791 -0.1162791 0.1162791), wk = 0.0043103 k( 176) = ( -0.1046512 -0.1046512 0.1046512), wk = 0.0043103 k( 177) = ( -0.0930233 -0.0930233 0.0930233), wk = 0.0043103 k( 178) = ( -0.0813954 -0.0813954 0.0813954), wk = 0.0043103 k( 179) = ( -0.0697674 -0.0697674 0.0697674), wk = 0.0043103 k( 180) = ( -0.0581395 -0.0581395 0.0581395), wk = 0.0043103 k( 181) = ( -0.0465116 -0.0465116 0.0465116), wk = 0.0043103 k( 182) = ( -0.0348837 -0.0348837 0.0348837), wk = 0.0043103 k( 183) = ( -0.0232558 -0.0232558 0.0232558), wk = 0.0043103 k( 184) = ( -0.0116279 -0.0116279 0.0116279), wk = 0.0043103 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 187) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0043103 k( 188) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0043103 k( 189) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0043103 k( 190) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0043103 k( 191) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0043103 k( 192) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0043103 k( 193) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0043103 k( 194) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0043103 k( 195) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0043103 k( 196) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0043103 k( 197) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0043103 k( 198) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0043103 k( 199) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0043103 k( 200) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0043103 k( 201) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0043103 k( 202) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0043103 k( 203) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0043103 k( 204) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0043103 k( 205) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 206) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0043103 k( 207) = ( 0.0000000 -0.4807692 0.4807692), wk = 0.0043103 k( 208) = ( 0.0000000 -0.4615385 0.4615385), wk = 0.0043103 k( 209) = ( 0.0000000 -0.4423077 0.4423077), wk = 0.0043103 k( 210) = ( 0.0000000 -0.4230769 0.4230769), wk = 0.0043103 k( 211) = ( 0.0000000 -0.4038462 0.4038462), wk = 0.0043103 k( 212) = ( 0.0000000 -0.3846154 0.3846154), wk = 0.0043103 k( 213) = ( 0.0000000 -0.3653846 0.3653846), wk = 0.0043103 k( 214) = ( 0.0000000 -0.3461538 0.3461538), wk = 0.0043103 k( 215) = ( 0.0000000 -0.3269231 0.3269231), wk = 0.0043103 k( 216) = ( 0.0000000 -0.3076923 0.3076923), wk = 0.0043103 k( 217) = ( 0.0000000 -0.2884615 0.2884615), wk = 0.0043103 k( 218) = ( 0.0000000 -0.2692308 0.2692308), wk = 0.0043103 k( 219) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0043103 k( 220) = ( 0.0000000 -0.2307692 0.2307692), wk = 0.0043103 k( 221) = ( 0.0000000 -0.2115385 0.2115385), wk = 0.0043103 k( 222) = ( 0.0000000 -0.1923077 0.1923077), wk = 0.0043103 k( 223) = ( 0.0000000 -0.1730769 0.1730769), wk = 0.0043103 k( 224) = ( 0.0000000 -0.1538462 0.1538461), wk = 0.0043103 k( 225) = ( 0.0000000 -0.1346154 0.1346154), wk = 0.0043103 k( 226) = ( 0.0000000 -0.1153846 0.1153846), wk = 0.0043103 k( 227) = ( 0.0000000 -0.0961539 0.0961538), wk = 0.0043103 k( 228) = ( 0.0000000 -0.0769231 0.0769231), wk = 0.0043103 k( 229) = ( 0.0000000 -0.0576923 0.0576923), wk = 0.0043103 k( 230) = ( 0.0000000 -0.0384615 0.0384615), wk = 0.0043103 k( 231) = ( 0.0000000 -0.0192308 0.0192308), wk = 0.0043103 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 Dense grid: 399601 G-vectors FFT dimensions: ( 64, 108, 125) Smooth grid: 113899 G-vectors FFT dimensions: ( 45, 72, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.53 Mb ( 406, 86) NL pseudopotentials 0.45 Mb ( 203, 146) Each V/rho on FFT grid 0.21 Mb ( 13824) Each G-vector array 0.04 Mb ( 5548) G-vector shells 0.04 Mb ( 5548) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.13 Mb ( 406, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.38 Mb ( 146, 2, 86) The potential is recalculated from file : ./PdxSeBr3x2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.4 secs Computing kpt #: 8 total cpu time spent up to now is 13.7 secs Computing kpt #: 9 total cpu time spent up to now is 15.0 secs Computing kpt #: 10 total cpu time spent up to now is 16.3 secs Computing kpt #: 11 total cpu time spent up to now is 17.6 secs Computing kpt #: 12 total cpu time spent up to now is 18.9 secs Computing kpt #: 13 total cpu time spent up to now is 20.2 secs Computing kpt #: 14 total cpu time spent up to now is 21.4 secs Computing kpt #: 15 total cpu time spent up to now is 22.7 secs Computing kpt #: 16 total cpu time spent up to now is 24.0 secs Computing kpt #: 17 total cpu time spent up to now is 25.3 secs Computing kpt #: 18 total cpu time spent up to now is 26.6 secs Computing kpt #: 19 total cpu time spent up to now is 27.9 secs Computing kpt #: 20 total cpu time spent up to now is 29.2 secs Computing kpt #: 21 total cpu time spent up to now is 30.5 secs Computing kpt #: 22 total cpu time spent up to now is 31.7 secs Computing kpt #: 23 total cpu time spent up to now is 33.0 secs Computing kpt #: 24 total cpu time spent up to now is 34.3 secs Computing kpt #: 25 total cpu time spent up to now is 35.6 secs Computing kpt #: 26 total cpu time spent up to now is 36.9 secs Computing kpt #: 27 total cpu time spent up to now is 38.2 secs Computing kpt #: 28 total cpu time spent up to now is 39.4 secs Computing kpt #: 29 total cpu time spent up to now is 40.7 secs Computing kpt #: 30 total cpu time spent up to now is 42.0 secs Computing kpt #: 31 total cpu time spent up to now is 43.2 secs Computing kpt #: 32 total cpu time spent up to now is 44.5 secs Computing kpt #: 33 total cpu time spent up to now is 45.7 secs Computing kpt #: 34 total cpu time spent up to now is 47.0 secs Computing kpt #: 35 total cpu time spent up to now is 48.3 secs Computing kpt #: 36 total cpu time spent up to now is 49.6 secs Computing kpt #: 37 total cpu time spent up to now is 50.9 secs Computing kpt #: 38 total cpu time spent up to now is 52.2 secs Computing kpt #: 39 total cpu time spent up to now is 53.5 secs Computing kpt #: 40 total cpu time spent up to now is 54.8 secs Computing kpt #: 41 total cpu time spent up to now is 56.1 secs Computing kpt #: 42 total cpu time spent up to now is 57.4 secs Computing kpt #: 43 total cpu time spent up to now is 58.8 secs Computing kpt #: 44 total cpu time spent up to now is 60.1 secs Computing kpt #: 45 total cpu time spent up to now is 61.5 secs Computing kpt #: 46 total cpu time spent up to now is 62.8 secs Computing kpt #: 47 total cpu time spent up to now is 64.1 secs Computing kpt #: 48 total cpu time spent up to now is 65.5 secs Computing kpt #: 49 total cpu time spent up to now is 66.8 secs Computing kpt #: 50 total cpu time spent up to now is 68.1 secs Computing kpt #: 51 total cpu time spent up to now is 69.4 secs Computing kpt #: 52 total cpu time spent up to now is 70.7 secs Computing kpt #: 53 total cpu time spent up to now is 72.0 secs Computing kpt #: 54 total cpu time spent up to now is 73.3 secs Computing kpt #: 55 total cpu time spent up to now is 74.6 secs Computing kpt #: 56 total cpu time spent up to now is 75.9 secs Computing kpt #: 57 total cpu time spent up to now is 77.2 secs Computing kpt #: 58 total cpu time spent up to now is 78.5 secs Computing kpt #: 59 total cpu time spent up to now is 79.7 secs Computing kpt #: 60 total cpu time spent up to now is 81.0 secs Computing kpt #: 61 total cpu time spent up to now is 82.3 secs Computing kpt #: 62 total cpu time spent up to now is 83.6 secs Computing kpt #: 63 total cpu time spent up to now is 84.9 secs Computing kpt #: 64 total cpu time spent up to now is 86.2 secs Computing kpt #: 65 total cpu time spent up to now is 87.5 secs Computing kpt #: 66 total cpu time spent up to now is 88.8 secs Computing kpt #: 67 total cpu time spent up to now is 90.1 secs Computing kpt #: 68 total cpu time spent up to now is 91.4 secs Computing kpt #: 69 total cpu time spent up to now is 92.7 secs Computing kpt #: 70 total cpu time spent up to now is 94.0 secs Computing kpt #: 71 total cpu time spent up to now is 95.3 secs Computing kpt #: 72 total cpu time spent up to now is 96.6 secs Computing kpt #: 73 total cpu time spent up to now is 97.9 secs Computing kpt #: 74 total cpu time spent up to now is 99.3 secs Computing kpt #: 75 total cpu time spent up to now is 100.6 secs Computing kpt #: 76 total cpu time spent up to now is 101.9 secs Computing kpt #: 77 total cpu time spent up to now is 103.2 secs Computing kpt #: 78 total cpu time spent up to now is 104.5 secs Computing kpt #: 79 total cpu time spent up to now is 105.8 secs Computing kpt #: 80 total cpu time spent up to now is 107.1 secs Computing kpt #: 81 total cpu time spent up to now is 108.4 secs Computing kpt #: 82 total cpu time spent up to now is 109.7 secs Computing kpt #: 83 total cpu time spent up to now is 111.1 secs Computing kpt #: 84 total cpu time spent up to now is 112.4 secs Computing kpt #: 85 total cpu time spent up to now is 113.7 secs Computing kpt #: 86 total cpu time spent up to now is 114.9 secs Computing kpt #: 87 total cpu time spent up to now is 116.2 secs Computing kpt #: 88 total cpu time spent up to now is 117.5 secs Computing kpt #: 89 total cpu time spent up to now is 118.8 secs Computing kpt #: 90 total cpu time spent up to now is 120.1 secs Computing kpt #: 91 total cpu time spent up to now is 121.3 secs Computing kpt #: 92 total cpu time spent up to now is 122.6 secs Computing kpt #: 93 total cpu time spent up to now is 123.8 secs Computing kpt #: 94 total cpu time spent up to now is 125.1 secs Computing kpt #: 95 total cpu time spent up to now is 126.4 secs Computing kpt #: 96 total cpu time spent up to now is 127.6 secs Computing kpt #: 97 total cpu time spent up to now is 128.9 secs Computing kpt #: 98 total cpu time spent up to now is 130.2 secs Computing kpt #: 99 total cpu time spent up to now is 131.4 secs Computing kpt #: 100 total cpu time spent up to now is 132.7 secs Computing kpt #: 101 total cpu time spent up to now is 134.0 secs Computing kpt #: 102 total cpu time spent up to now is 135.3 secs Computing kpt #: 103 total cpu time spent up to now is 136.5 secs Computing kpt #: 104 total cpu time spent up to now is 137.8 secs Computing kpt #: 105 total cpu time spent up to now is 139.1 secs Computing kpt #: 106 total cpu time spent up to now is 140.3 secs Computing kpt #: 107 total cpu time spent up to now is 141.7 secs Computing kpt #: 108 total cpu time spent up to now is 142.9 secs Computing kpt #: 109 total cpu time spent up to now is 144.2 secs Computing kpt #: 110 total cpu time spent up to now is 145.5 secs Computing kpt #: 111 total cpu time spent up to now is 146.8 secs Computing kpt #: 112 total cpu time spent up to now is 148.0 secs Computing kpt #: 113 total cpu time spent up to now is 149.3 secs Computing kpt #: 114 total cpu time spent up to now is 150.6 secs Computing kpt #: 115 total cpu time spent up to now is 151.9 secs Computing kpt #: 116 total cpu time spent up to now is 153.2 secs Computing kpt #: 117 total cpu time spent up to now is 154.5 secs Computing kpt #: 118 total cpu time spent up to now is 155.8 secs Computing kpt #: 119 total cpu time spent up to now is 157.1 secs Computing kpt #: 120 total cpu time spent up to now is 158.4 secs Computing kpt #: 121 total cpu time spent up to now is 159.7 secs Computing kpt #: 122 total cpu time spent up to now is 161.0 secs Computing kpt #: 123 total cpu time spent up to now is 162.3 secs Computing kpt #: 124 total cpu time spent up to now is 163.6 secs Computing kpt #: 125 total cpu time spent up to now is 164.9 secs Computing kpt #: 126 total cpu time spent up to now is 166.2 secs Computing kpt #: 127 total cpu time spent up to now is 167.5 secs Computing kpt #: 128 total cpu time spent up to now is 168.9 secs Computing kpt #: 129 total cpu time spent up to now is 170.2 secs Computing kpt #: 130 total cpu time spent up to now is 171.5 secs Computing kpt #: 131 total cpu time spent up to now is 172.8 secs Computing kpt #: 132 total cpu time spent up to now is 174.1 secs Computing kpt #: 133 total cpu time spent up to now is 175.6 secs Computing kpt #: 134 total cpu time spent up to now is 176.9 secs Computing kpt #: 135 total cpu time spent up to now is 178.2 secs Computing kpt #: 136 total cpu time spent up to now is 179.5 secs Computing kpt #: 137 total cpu time spent up to now is 180.8 secs Computing kpt #: 138 total cpu time spent up to now is 182.1 secs Computing kpt #: 139 total cpu time spent up to now is 183.3 secs Computing kpt #: 140 total cpu time spent up to now is 184.6 secs Computing kpt #: 141 total cpu time spent up to now is 185.9 secs Computing kpt #: 142 total cpu time spent up to now is 187.2 secs Computing kpt #: 143 total cpu time spent up to now is 188.5 secs Computing kpt #: 144 total cpu time spent up to now is 189.8 secs Computing kpt #: 145 total cpu time spent up to now is 191.1 secs Computing kpt #: 146 total cpu time spent up to now is 192.4 secs Computing kpt #: 147 total cpu time spent up to now is 193.7 secs Computing kpt #: 148 total cpu time spent up to now is 195.0 secs Computing kpt #: 149 total cpu time spent up to now is 196.4 secs Computing kpt #: 150 total cpu time spent up to now is 197.7 secs Computing kpt #: 151 total cpu time spent up to now is 199.0 secs Computing kpt #: 152 total cpu time spent up to now is 200.3 secs Computing kpt #: 153 total cpu time spent up to now is 201.6 secs Computing kpt #: 154 total cpu time spent up to now is 203.0 secs Computing kpt #: 155 total cpu time spent up to now is 204.3 secs Computing kpt #: 156 total cpu time spent up to now is 205.6 secs Computing kpt #: 157 total cpu time spent up to now is 206.9 secs Computing kpt #: 158 total cpu time spent up to now is 208.2 secs Computing kpt #: 159 total cpu time spent up to now is 209.5 secs Computing kpt #: 160 total cpu time spent up to now is 210.8 secs Computing kpt #: 161 total cpu time spent up to now is 212.1 secs Computing kpt #: 162 total cpu time spent up to now is 213.4 secs Computing kpt #: 163 total cpu time spent up to now is 214.7 secs Computing kpt #: 164 total cpu time spent up to now is 216.1 secs Computing kpt #: 165 total cpu time spent up to now is 217.4 secs Computing kpt #: 166 total cpu time spent up to now is 218.7 secs Computing kpt #: 167 total cpu time spent up to now is 220.0 secs Computing kpt #: 168 total cpu time spent up to now is 221.3 secs Computing kpt #: 169 total cpu time spent up to now is 222.6 secs Computing kpt #: 170 total cpu time spent up to now is 223.9 secs Computing kpt #: 171 total cpu time spent up to now is 225.2 secs Computing kpt #: 172 total cpu time spent up to now is 226.5 secs Computing kpt #: 173 total cpu time spent up to now is 227.9 secs Computing kpt #: 174 total cpu time spent up to now is 229.2 secs Computing kpt #: 175 total cpu time spent up to now is 230.4 secs Computing kpt #: 176 total cpu time spent up to now is 231.7 secs Computing kpt #: 177 total cpu time spent up to now is 233.0 secs Computing kpt #: 178 total cpu time spent up to now is 234.2 secs Computing kpt #: 179 total cpu time spent up to now is 235.5 secs Computing kpt #: 180 total cpu time spent up to now is 236.7 secs Computing kpt #: 181 total cpu time spent up to now is 238.0 secs Computing kpt #: 182 total cpu time spent up to now is 239.3 secs Computing kpt #: 183 total cpu time spent up to now is 240.6 secs Computing kpt #: 184 total cpu time spent up to now is 241.9 secs Computing kpt #: 185 total cpu time spent up to now is 243.1 secs Computing kpt #: 186 total cpu time spent up to now is 244.4 secs Computing kpt #: 187 total cpu time spent up to now is 245.7 secs Computing kpt #: 188 total cpu time spent up to now is 247.1 secs Computing kpt #: 189 total cpu time spent up to now is 248.5 secs Computing kpt #: 190 total cpu time spent up to now is 249.8 secs Computing kpt #: 191 total cpu time spent up to now is 251.1 secs Computing kpt #: 192 total cpu time spent up to now is 252.4 secs Computing kpt #: 193 total cpu time spent up to now is 253.7 secs Computing kpt #: 194 total cpu time spent up to now is 255.0 secs Computing kpt #: 195 total cpu time spent up to now is 256.3 secs Computing kpt #: 196 total cpu time spent up to now is 257.6 secs Computing kpt #: 197 total cpu time spent up to now is 258.9 secs Computing kpt #: 198 total cpu time spent up to now is 260.3 secs Computing kpt #: 199 total cpu time spent up to now is 261.6 secs Computing kpt #: 200 total cpu time spent up to now is 262.9 secs Computing kpt #: 201 total cpu time spent up to now is 264.2 secs Computing kpt #: 202 total cpu time spent up to now is 265.5 secs Computing kpt #: 203 total cpu time spent up to now is 266.9 secs Computing kpt #: 204 total cpu time spent up to now is 268.2 secs Computing kpt #: 205 total cpu time spent up to now is 269.4 secs Computing kpt #: 206 total cpu time spent up to now is 270.7 secs Computing kpt #: 207 total cpu time spent up to now is 272.0 secs Computing kpt #: 208 total cpu time spent up to now is 273.3 secs Computing kpt #: 209 total cpu time spent up to now is 274.6 secs Computing kpt #: 210 total cpu time spent up to now is 275.8 secs Computing kpt #: 211 total cpu time spent up to now is 277.1 secs Computing kpt #: 212 total cpu time spent up to now is 278.4 secs Computing kpt #: 213 total cpu time spent up to now is 279.7 secs Computing kpt #: 214 total cpu time spent up to now is 281.1 secs Computing kpt #: 215 total cpu time spent up to now is 282.3 secs Computing kpt #: 216 total cpu time spent up to now is 283.6 secs Computing kpt #: 217 total cpu time spent up to now is 284.9 secs Computing kpt #: 218 total cpu time spent up to now is 286.2 secs Computing kpt #: 219 total cpu time spent up to now is 287.5 secs Computing kpt #: 220 total cpu time spent up to now is 288.7 secs Computing kpt #: 221 total cpu time spent up to now is 290.0 secs Computing kpt #: 222 total cpu time spent up to now is 291.4 secs Computing kpt #: 223 total cpu time spent up to now is 292.6 secs Computing kpt #: 224 total cpu time spent up to now is 293.9 secs Computing kpt #: 225 total cpu time spent up to now is 295.2 secs Computing kpt #: 226 total cpu time spent up to now is 296.5 secs Computing kpt #: 227 total cpu time spent up to now is 297.8 secs Computing kpt #: 228 total cpu time spent up to now is 299.0 secs Computing kpt #: 229 total cpu time spent up to now is 300.3 secs Computing kpt #: 230 total cpu time spent up to now is 301.6 secs Computing kpt #: 231 total cpu time spent up to now is 302.9 secs Computing kpt #: 232 total cpu time spent up to now is 304.1 secs ethr = 1.39E-08, avg # of iterations = 16.0 total cpu time spent up to now is 304.1 secs End of band structure calculation k = 0.0000-0.3143-0.0916 ( 14272 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.7783 -12.7783 -12.7578 -12.7578 -11.3764 -11.3764 -11.2625 -11.2625 -10.8091 -10.8091 -10.5398 -10.5398 -8.7531 -8.7531 -8.7446 -8.7446 -2.2798 -2.2798 -2.0506 -2.0506 -1.6476 -1.6476 -1.4318 -1.4318 -1.0869 -1.0869 -0.6008 -0.6008 -0.1413 -0.1413 0.2747 0.2747 0.7168 0.7168 0.7875 0.7875 0.9723 0.9723 1.1517 1.1517 1.3991 1.3991 1.5860 1.5860 1.6519 1.6519 1.6552 1.6552 1.8138 1.8138 1.9456 1.9456 2.0074 2.0074 2.3083 2.3083 2.4262 2.4262 2.6510 2.6510 2.8161 2.8161 3.2882 3.2882 4.6256 4.6256 5.1775 5.1775 5.2857 5.2857 5.9792 5.9792 6.1761 6.1761 8.3793 8.3793 9.2050 9.2050 k = 0.0000-0.3006-0.0876 ( 14268 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.7806 -12.7806 -12.7555 -12.7555 -11.3761 -11.3761 -11.2624 -11.2624 -10.8090 -10.8090 -10.5401 -10.5401 -8.7601 -8.7601 -8.7381 -8.7381 -2.2795 -2.2795 -2.0500 -2.0500 -1.6479 -1.6479 -1.4313 -1.4313 -1.0861 -1.0861 -0.6019 -0.6019 -0.1395 -0.1395 0.2745 0.2745 0.7134 0.7134 0.7871 0.7871 0.9728 0.9728 1.1535 1.1535 1.3980 1.3980 1.5863 1.5863 1.6407 1.6407 1.6645 1.6645 1.8146 1.8146 1.9455 1.9455 2.0080 2.0080 2.3055 2.3055 2.4268 2.4268 2.6510 2.6510 2.8164 2.8164 3.2877 3.2877 4.6245 4.6245 5.1787 5.1787 5.2915 5.2915 5.9782 5.9782 6.1770 6.1770 8.3814 8.3814 9.1924 9.1924 k = 0.0000-0.2870-0.0836 ( 14265 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.7860 -12.7860 -12.7505 -12.7505 -11.3751 -11.3751 -11.2621 -11.2621 -10.8085 -10.8085 -10.5408 -10.5408 -8.7704 -8.7704 -8.7290 -8.7290 -2.2784 -2.2784 -2.0480 -2.0480 -1.6487 -1.6487 -1.4300 -1.4300 -1.0837 -1.0837 -0.6050 -0.6050 -0.1343 -0.1343 0.2739 0.2739 0.7040 0.7040 0.7856 0.7856 0.9742 0.9742 1.1586 1.1586 1.3949 1.3949 1.5864 1.5864 1.6271 1.6271 1.6733 1.6733 1.8167 1.8167 1.9452 1.9452 2.0098 2.0098 2.2974 2.2974 2.4282 2.4282 2.6511 2.6511 2.8173 2.8173 3.2863 3.2863 4.6213 4.6213 5.1829 5.1829 5.3082 5.3082 5.9753 5.9753 6.1796 6.1796 8.3875 8.3875 9.1582 9.1582 k = 0.0000-0.2733-0.0796 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.7924 -12.7924 -12.7446 -12.7446 -11.3734 -11.3734 -11.2617 -11.2617 -10.8077 -10.8077 -10.5420 -10.5420 -8.7813 -8.7813 -8.7202 -8.7202 -2.2767 -2.2767 -2.0448 -2.0448 -1.6501 -1.6501 -1.4278 -1.4278 -1.0797 -1.0797 -0.6099 -0.6099 -0.1258 -0.1258 0.2727 0.2727 0.6893 0.6893 0.7824 0.7824 0.9763 0.9763 1.1668 1.1668 1.3903 1.3903 1.5841 1.5841 1.6152 1.6152 1.6805 1.6805 1.8190 1.8190 1.9452 1.9452 2.0125 2.0125 2.2848 2.2848 2.4297 2.4297 2.6515 2.6515 2.8187 2.8187 3.2842 3.2842 4.6165 4.6165 5.1906 5.1906 5.3343 5.3343 5.9706 5.9706 6.1838 6.1838 8.3975 8.3975 9.1097 9.1097 k = 0.0000-0.2597-0.0757 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.7993 -12.7993 -12.7385 -12.7385 -11.3711 -11.3711 -11.2612 -11.2612 -10.8066 -10.8066 -10.5436 -10.5436 -8.7926 -8.7926 -8.7117 -8.7117 -2.2744 -2.2744 -2.0403 -2.0403 -1.6521 -1.6521 -1.4246 -1.4246 -1.0743 -1.0743 -0.6165 -0.6165 -0.1143 -0.1143 0.2711 0.2711 0.6707 0.6707 0.7771 0.7771 0.9792 0.9792 1.1774 1.1774 1.3845 1.3845 1.5757 1.5757 1.6089 1.6089 1.6865 1.6865 1.8203 1.8203 1.9457 1.9457 2.0157 2.0157 2.2687 2.2687 2.4307 2.4307 2.6527 2.6527 2.8205 2.8205 3.2812 3.2812 4.6106 4.6106 5.2023 5.2023 5.3683 5.3683 5.9646 5.9646 6.1893 6.1893 8.4112 8.4112 9.0531 9.0531 k = 0.0000-0.2460-0.0717 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8063 -12.8063 -12.7324 -12.7324 -11.3681 -11.3681 -11.2606 -11.2606 -10.8052 -10.8052 -10.5457 -10.5457 -8.8040 -8.8040 -8.7038 -8.7038 -2.2716 -2.2716 -2.0345 -2.0345 -1.6548 -1.6548 -1.4204 -1.4204 -1.0675 -1.0675 -0.6245 -0.6245 -0.1001 -0.1001 0.2688 0.2688 0.6488 0.6488 0.7698 0.7698 0.9823 0.9823 1.1899 1.1899 1.3783 1.3783 1.5616 1.5616 1.6078 1.6078 1.6918 1.6918 1.8198 1.8198 1.9466 1.9466 2.0192 2.0192 2.2498 2.2498 2.4308 2.4308 2.6549 2.6549 2.8225 2.8225 3.2777 3.2777 4.6044 4.6044 5.2179 5.2179 5.4086 5.4086 5.9574 5.9574 6.1960 6.1960 8.4283 8.4283 8.9922 8.9922 k = 0.0000-0.2323-0.0677 ( 14254 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8134 -12.8134 -12.7265 -12.7265 -11.3646 -11.3646 -11.2598 -11.2598 -10.8036 -10.8036 -10.5481 -10.5481 -8.8157 -8.8157 -8.6964 -8.6964 -2.2683 -2.2683 -2.0275 -2.0275 -1.6581 -1.6581 -1.4150 -1.4150 -1.0595 -1.0595 -0.6334 -0.6334 -0.0836 -0.0836 0.2659 0.2659 0.6245 0.6245 0.7607 0.7607 0.9853 0.9853 1.2036 1.2036 1.3724 1.3724 1.5457 1.5457 1.6083 1.6083 1.6969 1.6969 1.8174 1.8174 1.9476 1.9476 2.0225 2.0225 2.2289 2.2289 2.4299 2.4299 2.6583 2.6583 2.8245 2.8245 3.2736 3.2736 4.5984 4.5984 5.2372 5.2372 5.4539 5.4539 5.9496 5.9496 6.2034 6.2034 8.4481 8.4481 8.9298 8.9298 k = 0.0000-0.2187-0.0637 ( 14256 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8203 -12.8203 -12.7208 -12.7208 -11.3605 -11.3605 -11.2591 -11.2591 -10.8017 -10.8017 -10.5510 -10.5510 -8.8274 -8.8274 -8.6896 -8.6896 -2.2647 -2.2647 -2.0194 -2.0194 -1.6621 -1.6621 -1.4085 -1.4085 -1.0505 -1.0505 -0.6431 -0.6431 -0.0652 -0.0652 0.2621 0.2621 0.5986 0.5986 0.7502 0.7502 0.9878 0.9878 1.2180 1.2180 1.3673 1.3673 1.5297 1.5297 1.6085 1.6085 1.7018 1.7018 1.8131 1.8131 1.9479 1.9479 2.0252 2.0252 2.2067 2.2067 2.4282 2.4282 2.6630 2.6630 2.8265 2.8265 3.2692 3.2692 4.5930 4.5930 5.2596 5.2596 5.5029 5.5029 5.9414 5.9414 6.2116 6.2116 8.4699 8.4699 8.8676 8.8676 k = 0.0000-0.2050-0.0597 ( 14246 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8272 -12.8272 -12.7155 -12.7155 -11.3560 -11.3560 -11.2583 -11.2583 -10.7995 -10.7995 -10.5541 -10.5541 -8.8390 -8.8390 -8.6832 -8.6832 -2.2608 -2.2608 -2.0101 -2.0101 -1.6669 -1.6669 -1.4007 -1.4007 -1.0406 -1.0406 -0.6533 -0.6533 -0.0451 -0.0451 0.2572 0.2572 0.5717 0.5717 0.7387 0.7387 0.9893 0.9893 1.2323 1.2323 1.3639 1.3639 1.5145 1.5145 1.6079 1.6079 1.7064 1.7064 1.8077 1.8077 1.9469 1.9469 2.0270 2.0270 2.1841 2.1841 2.4261 2.4261 2.6688 2.6688 2.8283 2.8283 3.2645 3.2645 4.5887 4.5887 5.2846 5.2846 5.5546 5.5546 5.9333 5.9333 6.2204 6.2204 8.4925 8.4925 8.8075 8.8075 k = 0.0000-0.1913-0.0558 ( 14249 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8338 -12.8338 -12.7104 -12.7104 -11.3510 -11.3510 -11.2575 -11.2575 -10.7971 -10.7971 -10.5576 -10.5576 -8.8506 -8.8506 -8.6774 -8.6774 -2.2568 -2.2568 -1.9998 -1.9998 -1.6723 -1.6723 -1.3915 -1.3915 -1.0302 -1.0302 -0.6636 -0.6636 -0.0239 -0.0239 0.2510 0.2510 0.5446 0.5446 0.7267 0.7267 0.9893 0.9893 1.2457 1.2457 1.3628 1.3628 1.5004 1.5004 1.6063 1.6063 1.7104 1.7104 1.8013 1.8013 1.9442 1.9442 2.0272 2.0272 2.1623 2.1623 2.4240 2.4240 2.6756 2.6756 2.8299 2.8299 3.2598 3.2598 4.5857 4.5857 5.3116 5.3116 5.6076 5.6076 5.9256 5.9256 6.2296 6.2296 8.5136 8.5136 8.7522 8.7522 k = 0.0000-0.1777-0.0518 ( 14242 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8402 -12.8402 -12.7056 -12.7056 -11.3456 -11.3456 -11.2568 -11.2568 -10.7945 -10.7945 -10.5614 -10.5614 -8.8619 -8.8619 -8.6721 -8.6721 -2.2527 -2.2527 -1.9887 -1.9887 -1.6785 -1.6785 -1.3810 -1.3810 -1.0195 -1.0195 -0.6740 -0.6740 -0.0018 -0.0018 0.2432 0.2432 0.5182 0.5182 0.7145 0.7145 0.9876 0.9876 1.2578 1.2578 1.3645 1.3645 1.4879 1.4879 1.6038 1.6038 1.7133 1.7133 1.7946 1.7946 1.9397 1.9397 2.0250 2.0250 2.1424 2.1424 2.4223 2.4223 2.6830 2.6830 2.8312 2.8312 3.2551 3.2551 4.5840 4.5840 5.3397 5.3397 5.6610 5.6610 5.9186 5.9186 6.2392 6.2392 8.5279 8.5279 8.7069 8.7069 k = 0.0000-0.1640-0.0478 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8462 -12.8462 -12.7012 -12.7012 -11.3399 -11.3399 -11.2562 -11.2562 -10.7918 -10.7918 -10.5653 -10.5653 -8.8729 -8.8729 -8.6673 -8.6673 -2.2486 -2.2486 -1.9767 -1.9767 -1.6854 -1.6854 -1.3692 -1.3692 -1.0087 -1.0087 -0.6841 -0.6841 0.0208 0.0208 0.2335 0.2335 0.4934 0.4934 0.7026 0.7026 0.9839 0.9839 1.2677 1.2677 1.3692 1.3692 1.4773 1.4773 1.6006 1.6006 1.7148 1.7148 1.7875 1.7875 1.9331 1.9331 2.0200 2.0200 2.1260 2.1260 2.4210 2.4210 2.6907 2.6907 2.8322 2.8322 3.2505 3.2505 4.5837 4.5837 5.3682 5.3682 5.7136 5.7136 5.9130 5.9130 6.2494 6.2494 8.5253 8.5253 8.6816 8.6816 k = 0.0000-0.1503-0.0438 ( 14235 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8520 -12.8520 -12.6971 -12.6971 -11.3340 -11.3340 -11.2558 -11.2558 -10.7890 -10.7890 -10.5693 -10.5693 -8.8835 -8.8835 -8.6630 -8.6630 -2.2445 -2.2445 -1.9641 -1.9641 -1.6929 -1.6929 -1.3561 -1.3561 -0.9983 -0.9983 -0.6939 -0.6939 0.0434 0.0434 0.2218 0.2218 0.4707 0.4707 0.6913 0.6913 0.9779 0.9779 1.2756 1.2756 1.3765 1.3765 1.4690 1.4690 1.5968 1.5968 1.7144 1.7144 1.7803 1.7803 1.9249 1.9249 2.0119 2.0119 2.1137 2.1137 2.4203 2.4203 2.6986 2.6986 2.8328 2.8328 3.2461 3.2461 4.5847 4.5847 5.3963 5.3963 5.7639 5.7639 5.9094 5.9094 6.2600 6.2600 8.5000 8.5000 8.6821 8.6821 k = 0.0000-0.1367-0.0398 ( 14242 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8574 -12.8574 -12.6934 -12.6934 -11.3279 -11.3279 -11.2556 -11.2556 -10.7860 -10.7860 -10.5735 -10.5735 -8.8935 -8.8935 -8.6592 -8.6592 -2.2406 -2.2406 -1.9511 -1.9511 -1.7010 -1.7010 -1.3418 -1.3418 -0.9885 -0.9885 -0.7032 -0.7032 0.0655 0.0655 0.2082 0.2082 0.4508 0.4508 0.6811 0.6811 0.9697 0.9697 1.2818 1.2818 1.3852 1.3852 1.4636 1.4636 1.5925 1.5925 1.7121 1.7121 1.7729 1.7729 1.9154 1.9154 2.0015 2.0015 2.1057 2.1057 2.4202 2.4202 2.7063 2.7063 2.8330 2.8330 3.2421 3.2421 4.5868 4.5868 5.4234 5.4234 5.8100 5.8100 5.9090 5.9090 6.2712 6.2712 8.4611 8.4611 8.6991 8.6991 k = 0.0000-0.1230-0.0358 ( 14247 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8623 -12.8623 -12.6900 -12.6900 -11.3217 -11.3217 -11.2556 -11.2556 -10.7831 -10.7831 -10.5776 -10.5776 -8.9030 -8.9030 -8.6558 -8.6558 -2.2369 -2.2369 -1.9377 -1.9377 -1.7097 -1.7097 -1.3266 -1.3266 -0.9797 -0.9797 -0.7118 -0.7118 0.0864 0.0864 0.1933 0.1933 0.4339 0.4339 0.6724 0.6724 0.9593 0.9593 1.2869 1.2869 1.3934 1.3934 1.4619 1.4619 1.5880 1.5880 1.7077 1.7077 1.7654 1.7654 1.9051 1.9051 1.9902 1.9902 2.1009 2.1009 2.4206 2.4206 2.7138 2.7138 2.8329 2.8329 3.2384 3.2384 4.5898 4.5898 5.4487 5.4487 5.8478 5.8478 5.9153 5.9153 6.2830 6.2830 8.4183 8.4183 8.7226 8.7226 k = 0.0000-0.1093-0.0319 ( 14254 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8669 -12.8669 -12.6870 -12.6870 -11.3155 -11.3155 -11.2560 -11.2560 -10.7802 -10.7802 -10.5816 -10.5816 -8.9118 -8.9118 -8.6528 -8.6528 -2.2335 -2.2335 -1.9242 -1.9242 -1.7189 -1.7189 -1.3106 -1.3106 -0.9722 -0.9722 -0.7197 -0.7197 0.1046 0.1046 0.1790 0.1790 0.4198 0.4198 0.6656 0.6656 0.9468 0.9468 1.2916 1.2916 1.3991 1.3991 1.4648 1.4648 1.5833 1.5833 1.7014 1.7014 1.7579 1.7579 1.8944 1.8944 1.9791 1.9791 2.0985 2.0985 2.4213 2.4213 2.7209 2.7209 2.8324 2.8324 3.2351 3.2351 4.5936 4.5936 5.4715 5.4715 5.8711 5.8711 5.9337 5.9337 6.2954 6.2954 8.3762 8.3762 8.7480 8.7480 k = 0.0000-0.0957-0.0279 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8709 -12.8709 -12.6844 -12.6844 -11.3094 -11.3094 -11.2566 -11.2566 -10.7774 -10.7774 -10.5855 -10.5855 -8.9198 -8.9198 -8.6502 -8.6502 -2.2304 -2.2304 -1.9106 -1.9106 -1.7285 -1.7285 -1.2942 -1.2942 -0.9661 -0.9661 -0.7267 -0.7267 0.1163 0.1163 0.1694 0.1694 0.4081 0.4081 0.6609 0.6609 0.9326 0.9326 1.2964 1.2964 1.4014 1.4014 1.4720 1.4720 1.5786 1.5786 1.6936 1.6936 1.7508 1.7508 1.8838 1.8838 1.9691 1.9691 2.0975 2.0975 2.4222 2.4222 2.7274 2.7274 2.8316 2.8316 3.2322 3.2322 4.5978 4.5978 5.4914 5.4914 5.8820 5.8820 5.9615 5.9615 6.3084 6.3084 8.3368 8.3368 8.7729 8.7729 k = 0.0000-0.0820-0.0239 ( 14262 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8745 -12.8745 -12.6821 -12.6821 -11.3033 -11.3033 -11.2577 -11.2577 -10.7748 -10.7748 -10.5891 -10.5891 -8.9269 -8.9269 -8.6480 -8.6480 -2.2275 -2.2275 -1.8972 -1.8972 -1.7384 -1.7384 -1.2779 -1.2779 -0.9617 -0.9617 -0.7327 -0.7327 0.1155 0.1155 0.1711 0.1711 0.3982 0.3982 0.6587 0.6587 0.9172 0.9172 1.3018 1.3018 1.4006 1.4006 1.4819 1.4819 1.5740 1.5740 1.6849 1.6849 1.7445 1.7445 1.8735 1.8735 1.9604 1.9604 2.0975 2.0975 2.4233 2.4233 2.7334 2.7334 2.8306 2.8306 3.2298 3.2298 4.6021 4.6021 5.5082 5.5082 5.8886 5.8886 5.9898 5.9898 6.3215 6.3215 8.3011 8.3011 8.7962 8.7962 k = 0.0000-0.0683-0.0199 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8776 -12.8776 -12.6802 -12.6802 -11.2975 -11.2975 -11.2591 -11.2591 -10.7724 -10.7724 -10.5924 -10.5924 -8.9330 -8.9330 -8.6462 -8.6462 -2.2251 -2.2251 -1.8840 -1.8840 -1.7485 -1.7485 -1.2622 -1.2622 -0.9588 -0.9588 -0.7379 -0.7379 0.1055 0.1055 0.1816 0.1816 0.3898 0.3898 0.6590 0.6590 0.9011 0.9011 1.3079 1.3079 1.3973 1.3973 1.4927 1.4927 1.5698 1.5698 1.6766 1.6766 1.7390 1.7390 1.8636 1.8636 1.9533 1.9533 2.0981 2.0981 2.4243 2.4243 2.7387 2.7387 2.8294 2.8294 3.2277 3.2277 4.6064 4.6064 5.5218 5.5218 5.8942 5.8942 6.0147 6.0147 6.3345 6.3345 8.2699 8.2699 8.8171 8.8171 k = 0.0000-0.0547-0.0159 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8801 -12.8801 -12.6786 -12.6786 -11.2919 -11.2919 -11.2609 -11.2609 -10.7703 -10.7703 -10.5952 -10.5952 -8.9381 -8.9381 -8.6447 -8.6447 -2.2230 -2.2230 -1.8713 -1.8713 -1.7588 -1.7588 -1.2477 -1.2477 -0.9575 -0.9575 -0.7420 -0.7420 0.0935 0.0935 0.1938 0.1938 0.3825 0.3825 0.6615 0.6615 0.8851 0.8851 1.3149 1.3149 1.3921 1.3921 1.5030 1.5030 1.5661 1.5661 1.6696 1.6696 1.7344 1.7344 1.8544 1.8544 1.9477 1.9477 2.0990 2.0990 2.4252 2.4252 2.7433 2.7433 2.8281 2.8281 3.2261 3.2261 4.6103 4.6103 5.5323 5.5323 5.8995 5.8995 6.0351 6.0351 6.3465 6.3465 8.2437 8.2437 8.8349 8.8349 k = 0.0000-0.0410-0.0119 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8821 -12.8821 -12.6774 -12.6774 -11.2866 -11.2866 -11.2632 -11.2632 -10.7686 -10.7686 -10.5975 -10.5975 -8.9422 -8.9422 -8.6436 -8.6436 -2.2214 -2.2214 -1.8593 -1.8593 -1.7688 -1.7688 -1.2352 -1.2352 -0.9572 -0.9572 -0.7451 -0.7451 0.0827 0.0827 0.2048 0.2048 0.3764 0.3764 0.6654 0.6654 0.8703 0.8703 1.3228 1.3228 1.3854 1.3854 1.5119 1.5119 1.5627 1.5627 1.6645 1.6645 1.7307 1.7307 1.8464 1.8464 1.9435 1.9435 2.0999 2.0999 2.4259 2.4259 2.7470 2.7470 2.8268 2.8268 3.2248 3.2248 4.6136 4.6136 5.5400 5.5400 5.9043 5.9043 6.0506 6.0506 6.3570 6.3570 8.2229 8.2229 8.8492 8.8492 k = 0.0000-0.0273-0.0080 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8835 -12.8835 -12.6766 -12.6766 -11.2817 -11.2817 -11.2659 -11.2659 -10.7673 -10.7673 -10.5992 -10.5992 -8.9451 -8.9451 -8.6428 -8.6428 -2.2202 -2.2202 -1.8487 -1.8487 -1.7780 -1.7780 -1.2256 -1.2256 -0.9575 -0.9575 -0.7474 -0.7474 0.0744 0.0744 0.2134 0.2134 0.3716 0.3716 0.6699 0.6699 0.8581 0.8581 1.3311 1.3311 1.3775 1.3775 1.5188 1.5188 1.5597 1.5597 1.6616 1.6616 1.7277 1.7277 1.8400 1.8400 1.9406 1.9406 2.1006 2.1006 2.4265 2.4265 2.7498 2.7498 2.8258 2.8258 3.2240 3.2240 4.6161 4.6161 5.5453 5.5453 5.9082 5.9082 6.0615 6.0615 6.3651 6.3651 8.2078 8.2078 8.8596 8.8596 k = 0.0000-0.0137-0.0040 ( 14254 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8844 -12.8844 -12.6760 -12.6760 -11.2773 -11.2773 -11.2690 -11.2690 -10.7666 -10.7666 -10.6002 -10.6002 -8.9469 -8.9469 -8.6423 -8.6423 -2.2195 -2.2195 -1.8406 -1.8406 -1.7852 -1.7852 -1.2194 -1.2194 -0.9580 -0.9580 -0.7487 -0.7487 0.0692 0.0692 0.2189 0.2189 0.3685 0.3685 0.6734 0.6734 0.8498 0.8498 1.3390 1.3390 1.3698 1.3698 1.5234 1.5234 1.5574 1.5574 1.6603 1.6603 1.7258 1.7258 1.8359 1.8359 1.9389 1.9389 2.1012 2.1012 2.4269 2.4269 2.7515 2.7515 2.8251 2.8251 3.2235 3.2235 4.6177 4.6177 5.5483 5.5483 5.9107 5.9107 6.0679 6.0679 6.3702 6.3702 8.1987 8.1987 8.8660 8.8660 k = 0.0000 0.0000 0.0000 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8847 -12.8847 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2193 -2.2193 -1.8374 -1.8374 -1.7881 -1.7881 -1.2173 -1.2173 -0.9582 -0.9582 -0.7491 -0.7491 0.0675 0.0675 0.2208 0.2208 0.3674 0.3674 0.6747 0.6747 0.8469 0.8469 1.3430 1.3430 1.3659 1.3659 1.5251 1.5251 1.5565 1.5565 1.6600 1.6600 1.7252 1.7252 1.8345 1.8345 1.9383 1.9383 2.1013 2.1013 2.4270 2.4270 2.7521 2.7521 2.8248 2.8248 3.2233 3.2233 4.6182 4.6182 5.5493 5.5493 5.9115 5.9115 6.0701 6.0701 6.3720 6.3720 8.1956 8.1956 8.8681 8.8681 k = 0.0000 0.0000 0.0000 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8847 -12.8847 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2193 -2.2193 -1.8374 -1.8374 -1.7881 -1.7881 -1.2173 -1.2173 -0.9582 -0.9582 -0.7491 -0.7491 0.0675 0.0675 0.2208 0.2208 0.3674 0.3674 0.6747 0.6747 0.8469 0.8469 1.3430 1.3430 1.3659 1.3659 1.5251 1.5251 1.5565 1.5565 1.6600 1.6600 1.7252 1.7252 1.8345 1.8345 1.9383 1.9383 2.1013 2.1013 2.4270 2.4270 2.7521 2.7521 2.8248 2.8248 3.2233 3.2233 4.6182 4.6182 5.5493 5.5493 5.9115 5.9115 6.0701 6.0701 6.3720 6.3720 8.1956 8.1956 8.8681 8.8681 k = 0.0139 0.0011 0.0023 ( 14263 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8844 -12.8844 -12.6758 -12.6758 -11.2744 -11.2744 -11.2713 -11.2713 -10.7662 -10.7662 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2191 -2.2191 -1.8392 -1.8392 -1.7871 -1.7871 -1.2182 -1.2182 -0.9583 -0.9583 -0.7506 -0.7506 0.0669 0.0669 0.2198 0.2198 0.3672 0.3672 0.6754 0.6754 0.8469 0.8469 1.3404 1.3404 1.3677 1.3677 1.5228 1.5228 1.5581 1.5581 1.6573 1.6573 1.7278 1.7278 1.8350 1.8350 1.9390 1.9390 2.1022 2.1022 2.4272 2.4272 2.7515 2.7515 2.8264 2.8264 3.2223 3.2223 4.6182 4.6182 5.5488 5.5488 5.9112 5.9112 6.0691 6.0691 6.3714 6.3714 8.1992 8.1992 8.8707 8.8707 k = 0.0278 0.0022 0.0046 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8837 -12.8837 -12.6756 -12.6756 -11.2747 -11.2747 -11.2707 -11.2707 -10.7659 -10.7659 -10.6009 -10.6009 -8.9477 -8.9477 -8.6424 -8.6424 -2.2188 -2.2188 -1.8440 -1.8440 -1.7845 -1.7845 -1.2209 -1.2209 -0.9586 -0.9586 -0.7551 -0.7551 0.0652 0.0652 0.2170 0.2170 0.3665 0.3665 0.6774 0.6774 0.8470 0.8470 1.3343 1.3343 1.3712 1.3712 1.5171 1.5171 1.5615 1.5615 1.6506 1.6506 1.7344 1.7344 1.8364 1.8364 1.9411 1.9411 2.1047 2.1047 2.4281 2.4281 2.7499 2.7499 2.8308 2.8308 3.2196 3.2196 4.6180 4.6180 5.5473 5.5473 5.9103 5.9103 6.0664 6.0664 6.3696 6.3696 8.2099 8.2099 8.8786 8.8786 k = 0.0417 0.0033 0.0069 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8825 -12.8825 -12.6752 -12.6752 -11.2749 -11.2749 -11.2698 -11.2698 -10.7655 -10.7655 -10.6012 -10.6012 -8.9479 -8.9479 -8.6428 -8.6428 -2.2183 -2.2183 -1.8510 -1.8510 -1.7812 -1.7812 -1.2254 -1.2254 -0.9591 -0.9591 -0.7626 -0.7626 0.0617 0.0617 0.2130 0.2130 0.3655 0.3655 0.6807 0.6807 0.8471 0.8471 1.3264 1.3264 1.3743 1.3743 1.5100 1.5100 1.5651 1.5651 1.6421 1.6421 1.7427 1.7427 1.8389 1.8389 1.9445 1.9445 2.1088 2.1088 2.4297 2.4297 2.7476 2.7476 2.8377 2.8377 3.2150 3.2150 4.6178 4.6178 5.5448 5.5448 5.9087 5.9087 6.0618 6.0618 6.3667 6.3667 8.2277 8.2277 8.8916 8.8916 k = 0.0556 0.0044 0.0093 ( 14256 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8808 -12.8808 -12.6747 -12.6747 -11.2751 -11.2751 -11.2687 -11.2687 -10.7649 -10.7649 -10.6017 -10.6017 -8.9482 -8.9482 -8.6433 -8.6433 -2.2175 -2.2175 -1.8597 -1.8597 -1.7777 -1.7777 -1.2315 -1.2315 -0.9598 -0.9598 -0.7727 -0.7727 0.0557 0.0557 0.2088 0.2088 0.3640 0.3640 0.6850 0.6850 0.8471 0.8471 1.3175 1.3175 1.3754 1.3754 1.5030 1.5030 1.5680 1.5680 1.6336 1.6336 1.7509 1.7509 1.8428 1.8428 1.9492 1.9492 2.1140 2.1140 2.4324 2.4324 2.7450 2.7450 2.8464 2.8464 3.2087 3.2087 4.6178 4.6178 5.5412 5.5412 5.9067 5.9067 6.0553 6.0553 6.3627 6.3627 8.2524 8.2524 8.9096 8.9096 k = 0.0694 0.0055 0.0116 ( 14267 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8786 -12.8786 -12.6741 -12.6741 -11.2752 -11.2752 -11.2675 -11.2675 -10.7641 -10.7641 -10.6024 -10.6024 -8.9486 -8.9486 -8.6438 -8.6438 -2.2166 -2.2166 -1.8695 -1.8695 -1.7746 -1.7746 -1.2390 -1.2390 -0.9607 -0.9607 -0.7855 -0.7855 0.0463 0.0463 0.2055 0.2055 0.3623 0.3623 0.6903 0.6903 0.8469 0.8469 1.3076 1.3076 1.3736 1.3736 1.4969 1.4969 1.5697 1.5697 1.6263 1.6263 1.7584 1.7584 1.8481 1.8481 1.9550 1.9550 2.1201 2.1201 2.4365 2.4365 2.7423 2.7423 2.8565 2.8565 3.2007 3.2007 4.6180 4.6180 5.5363 5.5363 5.9043 5.9043 6.0470 6.0470 6.3578 6.3578 8.2838 8.2838 8.9324 8.9324 k = 0.0833 0.0066 0.0139 ( 14256 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8760 -12.8760 -12.6734 -12.6734 -11.2752 -11.2752 -11.2661 -11.2661 -10.7631 -10.7631 -10.6032 -10.6032 -8.9492 -8.9492 -8.6445 -8.6445 -2.2155 -2.2155 -1.8801 -1.8801 -1.7721 -1.7721 -1.2477 -1.2477 -0.9619 -0.9619 -0.8005 -0.8005 0.0329 0.0329 0.2038 0.2038 0.3605 0.3605 0.6964 0.6964 0.8465 0.8465 1.2969 1.2969 1.3682 1.3682 1.4922 1.4922 1.5698 1.5698 1.6212 1.6212 1.7647 1.7647 1.8547 1.8547 1.9618 1.9618 2.1266 2.1266 2.4424 2.4424 2.7398 2.7398 2.8674 2.8674 3.1913 3.1913 4.6189 4.6189 5.5302 5.5302 5.9016 5.9016 6.0369 6.0369 6.3520 6.3520 8.3216 8.3216 8.9597 8.9597 k = 0.0972 0.0077 0.0162 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8730 -12.8730 -12.6726 -12.6726 -11.2750 -11.2750 -11.2646 -11.2646 -10.7620 -10.7620 -10.6041 -10.6041 -8.9498 -8.9498 -8.6454 -8.6454 -2.2142 -2.2142 -1.8915 -1.8915 -1.7705 -1.7705 -1.2574 -1.2574 -0.9633 -0.9633 -0.8177 -0.8177 0.0153 0.0153 0.2041 0.2041 0.3587 0.3587 0.7030 0.7030 0.8458 0.8458 1.2853 1.2853 1.3595 1.3595 1.4881 1.4881 1.5681 1.5681 1.6194 1.6194 1.7701 1.7701 1.8625 1.8625 1.9696 1.9696 2.1330 2.1330 2.4503 2.4503 2.7376 2.7376 2.8787 2.8787 3.1804 3.1804 4.6206 4.6206 5.5226 5.5226 5.8988 5.8988 6.0251 6.0251 6.3455 6.3455 8.3656 8.3656 8.9912 8.9912 k = 0.1111 0.0087 0.0185 ( 14259 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8695 -12.8695 -12.6716 -12.6716 -11.2748 -11.2748 -11.2631 -11.2631 -10.7607 -10.7607 -10.6052 -10.6052 -8.9505 -8.9505 -8.6463 -8.6463 -2.2128 -2.2128 -1.9033 -1.9033 -1.7699 -1.7699 -1.2679 -1.2679 -0.9650 -0.9650 -0.8365 -0.8365 -0.0062 -0.0062 0.2060 0.2060 0.3573 0.3573 0.7099 0.7099 0.8450 0.8450 1.2726 1.2726 1.3482 1.3482 1.4837 1.4837 1.5646 1.5646 1.6215 1.6215 1.7747 1.7747 1.8710 1.8710 1.9783 1.9783 2.1390 2.1390 2.4603 2.4603 2.7359 2.7359 2.8901 2.8901 3.1684 3.1684 4.6234 4.6234 5.5136 5.5136 5.8958 5.8958 6.0116 6.0116 6.3384 6.3384 8.4152 8.4152 9.0265 9.0265 k = 0.1250 0.0098 0.0208 ( 14261 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8656 -12.8656 -12.6706 -12.6706 -11.2744 -11.2744 -11.2614 -11.2614 -10.7593 -10.7593 -10.6064 -10.6064 -8.9513 -8.9513 -8.6472 -8.6472 -2.2112 -2.2112 -1.9157 -1.9157 -1.7704 -1.7704 -1.2788 -1.2788 -0.9669 -0.9669 -0.8568 -0.8568 -0.0311 -0.0311 0.2088 0.2088 0.3566 0.3566 0.7167 0.7167 0.8443 0.8443 1.2584 1.2584 1.3355 1.3355 1.4781 1.4781 1.5596 1.5596 1.6273 1.6273 1.7788 1.7788 1.8800 1.8800 1.9877 1.9877 2.1443 2.1443 2.4724 2.4724 2.7348 2.7348 2.9011 2.9011 3.1553 3.1553 4.6277 4.6277 5.5028 5.5028 5.8927 5.8927 5.9968 5.9968 6.3309 6.3309 8.4701 8.4701 9.0652 9.0652 k = 0.1389 0.0109 0.0232 ( 14268 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8613 -12.8613 -12.6695 -12.6695 -11.2739 -11.2739 -11.2597 -11.2597 -10.7577 -10.7577 -10.6077 -10.6077 -8.9522 -8.9522 -8.6483 -8.6483 -2.2096 -2.2096 -1.9284 -1.9284 -1.7719 -1.7719 -1.2901 -1.2901 -0.9693 -0.9693 -0.8781 -0.8781 -0.0586 -0.0586 0.2120 0.2120 0.3568 0.3568 0.7231 0.7231 0.8439 0.8439 1.2426 1.2426 1.3227 1.3227 1.4706 1.4706 1.5533 1.5533 1.6363 1.6363 1.7829 1.7829 1.8889 1.8889 1.9978 1.9978 2.1489 2.1489 2.4862 2.4862 2.7347 2.7347 2.9116 2.9116 3.1415 3.1415 4.6336 4.6336 5.4904 5.4904 5.8894 5.8894 5.9808 5.9808 6.3230 6.3230 8.5299 8.5299 9.1067 9.1067 k = 0.1528 0.0120 0.0255 ( 14263 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8566 -12.8566 -12.6684 -12.6684 -11.2733 -11.2733 -11.2578 -11.2578 -10.7560 -10.7560 -10.6092 -10.6092 -8.9532 -8.9532 -8.6494 -8.6494 -2.2079 -2.2079 -1.9414 -1.9414 -1.7747 -1.7747 -1.3014 -1.3014 -0.9721 -0.9721 -0.9000 -0.9000 -0.0881 -0.0881 0.2147 0.2147 0.3583 0.3583 0.7286 0.7286 0.8443 0.8443 1.2248 1.2248 1.3108 1.3108 1.4615 1.4615 1.5462 1.5462 1.6475 1.6475 1.7871 1.7871 1.8975 1.8975 2.0085 2.0085 2.1528 2.1528 2.5012 2.5012 2.7358 2.7358 2.9212 2.9212 3.1270 3.1270 4.6415 4.6415 5.4763 5.4763 5.8857 5.8857 5.9642 5.9642 6.3148 6.3148 8.5939 8.5939 9.1504 9.1504 k = 0.1667 0.0131 0.0278 ( 14254 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8516 -12.8516 -12.6672 -12.6672 -11.2726 -11.2726 -11.2560 -11.2560 -10.7541 -10.7541 -10.6108 -10.6108 -8.9543 -8.9543 -8.6505 -8.6505 -2.2061 -2.2061 -1.9546 -1.9546 -1.7786 -1.7786 -1.3125 -1.3125 -0.9758 -0.9758 -0.9219 -0.9219 -0.1193 -0.1193 0.2164 0.2164 0.3613 0.3613 0.7325 0.7325 0.8460 0.8460 1.2050 1.2050 1.3004 1.3004 1.4509 1.4509 1.5383 1.5383 1.6597 1.6597 1.7918 1.7918 1.9054 1.9054 2.0196 2.0196 2.1561 2.1561 2.5164 2.5164 2.7385 2.7385 2.9298 2.9298 3.1122 3.1122 4.6515 4.6515 5.4604 5.4604 5.8806 5.8806 5.9480 5.9480 6.3063 6.3063 8.6616 8.6616 9.1957 9.1957 k = 0.1806 0.0142 0.0301 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8462 -12.8462 -12.6660 -12.6660 -11.2719 -11.2719 -11.2541 -11.2541 -10.7521 -10.7521 -10.6126 -10.6126 -8.9555 -8.9555 -8.6517 -8.6517 -2.2043 -2.2043 -1.9679 -1.9679 -1.7837 -1.7837 -1.3234 -1.3234 -0.9813 -0.9813 -0.9424 -0.9424 -0.1515 -0.1515 0.2168 0.2168 0.3658 0.3658 0.7345 0.7345 0.8495 0.8495 1.1835 1.1835 1.2918 1.2918 1.4394 1.4394 1.5301 1.5301 1.6721 1.6721 1.7972 1.7972 1.9124 1.9124 2.0311 2.0311 2.1593 2.1593 2.5310 2.5310 2.7433 2.7433 2.9373 2.9373 3.0974 3.0974 4.6638 4.6638 5.4427 5.4427 5.8731 5.8731 5.9338 5.9338 6.2977 6.2977 8.7324 8.7324 9.2418 9.2418 k = 0.1944 0.0153 0.0324 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8406 -12.8406 -12.6648 -12.6648 -11.2710 -11.2710 -11.2521 -11.2521 -10.7500 -10.7500 -10.6144 -10.6144 -8.9568 -8.9568 -8.6529 -8.6529 -2.2026 -2.2026 -1.9814 -1.9814 -1.7899 -1.7899 -1.3338 -1.3338 -0.9911 -0.9911 -0.9589 -0.9589 -0.1845 -0.1845 0.2158 0.2158 0.3717 0.3717 0.7341 0.7341 0.8551 0.8551 1.1607 1.1607 1.2850 1.2850 1.4272 1.4272 1.5216 1.5216 1.6836 1.6836 1.8035 1.8035 1.9182 1.9182 2.0426 2.0426 2.1624 2.1624 2.5438 2.5438 2.7506 2.7506 2.9436 2.9436 3.0828 3.0828 4.6785 4.6785 5.4234 5.4234 5.8614 5.8614 5.9233 5.9233 6.2890 6.2890 8.8054 8.8054 9.2877 9.2877 k = 0.2083 0.0164 0.0347 ( 14242 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8347 -12.8347 -12.6637 -12.6637 -11.2701 -11.2701 -11.2501 -11.2501 -10.7477 -10.7477 -10.6164 -10.6164 -8.9582 -8.9582 -8.6541 -8.6541 -2.2009 -2.2009 -1.9948 -1.9948 -1.7971 -1.7971 -1.3436 -1.3436 -1.0074 -1.0074 -0.9689 -0.9689 -0.2180 -0.2180 0.2138 0.2138 0.3786 0.3786 0.7315 0.7315 0.8626 0.8626 1.1372 1.1372 1.2799 1.2799 1.4148 1.4148 1.5133 1.5133 1.6939 1.6939 1.8108 1.8108 1.9229 1.9229 2.0541 2.0541 2.1659 2.1659 2.5541 2.5541 2.7607 2.7607 2.9487 2.9487 3.0689 3.0689 4.6955 4.6955 5.4026 5.4026 5.8453 5.8453 5.9170 5.9170 6.2801 6.2801 8.8798 8.8798 9.3325 9.3325 k = 0.2222 0.0175 0.0371 ( 14241 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8285 -12.8285 -12.6626 -12.6626 -11.2692 -11.2692 -11.2482 -11.2482 -10.7454 -10.7454 -10.6185 -10.6185 -8.9596 -8.9596 -8.6553 -8.6553 -2.1992 -2.1992 -2.0082 -2.0082 -1.8052 -1.8052 -1.3529 -1.3529 -1.0276 -1.0276 -0.9748 -0.9748 -0.2516 -0.2516 0.2109 0.2109 0.3860 0.3860 0.7267 0.7267 0.8718 0.8718 1.1133 1.1133 1.2762 1.2762 1.4023 1.4023 1.5052 1.5052 1.7026 1.7026 1.8190 1.8190 1.9263 1.9263 2.0651 2.0651 2.1698 2.1698 2.5612 2.5612 2.7734 2.7734 2.9527 2.9527 3.0563 3.0563 4.7147 4.7147 5.3802 5.3802 5.8258 5.8258 5.9141 5.9141 6.2711 6.2711 8.9547 8.9547 9.3752 9.3752 k = 0.2361 0.0186 0.0394 ( 14247 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8222 -12.8222 -12.6615 -12.6615 -11.2681 -11.2681 -11.2462 -11.2462 -10.7429 -10.7429 -10.6208 -10.6208 -8.9612 -8.9612 -8.6565 -8.6565 -2.1977 -2.1977 -2.0214 -2.0214 -1.8141 -1.8141 -1.3614 -1.3614 -1.0489 -1.0489 -0.9790 -0.9790 -0.2852 -0.2852 0.2075 0.2075 0.3937 0.3937 0.7202 0.7202 0.8821 0.8821 1.0895 1.0895 1.2736 1.2736 1.3902 1.3902 1.4978 1.4978 1.7096 1.7096 1.8276 1.8276 1.9286 1.9286 2.0754 2.0754 2.1742 2.1742 2.5651 2.5651 2.7880 2.7880 2.9555 2.9555 3.0456 3.0456 4.7361 4.7361 5.3566 5.3566 5.8044 5.8044 5.9134 5.9134 6.2621 6.2621 9.0289 9.0289 9.4147 9.4147 k = 0.2500 0.0197 0.0417 ( 14247 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.8157 -12.8157 -12.6606 -12.6606 -11.2671 -11.2671 -11.2442 -11.2442 -10.7404 -10.7404 -10.6231 -10.6231 -8.9627 -8.9627 -8.6576 -8.6576 -2.1964 -2.1964 -2.0345 -2.0345 -1.8237 -1.8237 -1.3693 -1.3693 -1.0704 -1.0704 -0.9826 -0.9826 -0.3187 -0.3187 0.2039 0.2039 0.4012 0.4012 0.7123 0.7123 0.8927 0.8927 1.0664 1.0664 1.2719 1.2719 1.3787 1.3787 1.4912 1.4912 1.7154 1.7154 1.8364 1.8364 1.9300 1.9300 2.0847 2.0847 2.1790 2.1790 2.5659 2.5659 2.8032 2.8032 2.9575 2.9575 3.0377 3.0377 4.7594 4.7594 5.3317 5.3317 5.7821 5.7821 5.9141 5.9141 6.2531 6.2531 9.1011 9.1011 9.4501 9.4501 k = 0.2639 0.0208 0.0440 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.8090 -12.8090 -12.6597 -12.6597 -11.2660 -11.2660 -11.2423 -11.2423 -10.7378 -10.7378 -10.6256 -10.6256 -8.9644 -8.9644 -8.6587 -8.6587 -2.1952 -2.1952 -2.0473 -2.0473 -1.8337 -1.8337 -1.3764 -1.3764 -1.0913 -1.0913 -0.9857 -0.9857 -0.3518 -0.3518 0.2005 0.2005 0.4083 0.4083 0.7034 0.7034 0.9030 0.9030 1.0445 1.0445 1.2707 1.2707 1.3683 1.3683 1.4857 1.4857 1.7201 1.7201 1.8449 1.8449 1.9308 1.9308 2.0930 2.0930 2.1839 2.1839 2.5641 2.5641 2.8176 2.8176 2.9591 2.9591 3.0336 3.0336 4.7842 4.7842 5.3059 5.3059 5.7594 5.7594 5.9156 5.9156 6.2440 6.2440 9.1699 9.1699 9.4804 9.4804 k = 0.2778 0.0219 0.0463 ( 14242 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.8023 -12.8023 -12.6590 -12.6590 -11.2649 -11.2649 -11.2404 -11.2404 -10.7351 -10.7351 -10.6281 -10.6281 -8.9661 -8.9661 -8.6598 -8.6598 -2.1943 -2.1943 -2.0597 -2.0597 -1.8440 -1.8440 -1.3830 -1.3830 -1.1116 -1.1116 -0.9886 -0.9886 -0.3846 -0.3846 0.1975 0.1975 0.4149 0.4149 0.6938 0.6938 0.9119 0.9119 1.0246 1.0246 1.2696 1.2696 1.3596 1.3596 1.4813 1.4813 1.7242 1.7242 1.8524 1.8524 1.9312 1.9312 2.1004 2.1004 2.1885 2.1885 2.5599 2.5599 2.8292 2.8292 2.9614 2.9614 3.0337 3.0337 4.8104 4.8104 5.2793 5.2793 5.7369 5.7369 5.9178 5.9178 6.2349 6.2349 9.2337 9.2337 9.5051 9.5051 k = 0.2917 0.0230 0.0486 ( 14241 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7955 -12.7955 -12.6585 -12.6585 -11.2638 -11.2638 -11.2385 -11.2385 -10.7323 -10.7323 -10.6307 -10.6307 -8.9678 -8.9678 -8.6608 -8.6608 -2.1935 -2.1935 -2.0717 -2.0717 -1.8544 -1.8544 -1.3889 -1.3889 -1.1309 -1.1309 -0.9911 -0.9911 -0.4168 -0.4168 0.1952 0.1952 0.4207 0.4207 0.6835 0.6835 0.9180 0.9180 1.0077 1.0077 1.2679 1.2679 1.3532 1.3532 1.4783 1.4783 1.7278 1.7278 1.8586 1.8586 1.9317 1.9317 2.1069 2.1069 2.1925 2.1925 2.5536 2.5536 2.8363 2.8363 2.9656 2.9656 3.0382 3.0382 4.8374 4.8374 5.2522 5.2522 5.7148 5.7148 5.9205 5.9205 6.2258 6.2258 9.2909 9.2909 9.5240 9.5240 k = 0.3056 0.0240 0.0509 ( 14249 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7887 -12.7887 -12.6581 -12.6581 -11.2627 -11.2627 -11.2368 -11.2368 -10.7295 -10.7295 -10.6334 -10.6334 -8.9695 -8.9695 -8.6617 -8.6617 -2.1930 -2.1930 -2.0833 -2.0833 -1.8647 -1.8647 -1.3942 -1.3942 -1.1493 -1.1493 -0.9932 -0.9932 -0.4484 -0.4484 0.1936 0.1936 0.4258 0.4258 0.6729 0.6729 0.9196 0.9196 0.9955 0.9955 1.2653 1.2653 1.3496 1.3496 1.4767 1.4767 1.7313 1.7313 1.8630 1.8630 1.9326 1.9326 2.1127 2.1127 2.1954 2.1954 2.5456 2.5456 2.8383 2.8383 2.9726 2.9726 3.0469 3.0469 4.8649 4.8649 5.2248 5.2248 5.6935 5.6935 5.9235 5.9235 6.2168 6.2168 9.3401 9.3401 9.5372 9.5372 k = 0.3194 0.0251 0.0533 ( 14251 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7819 -12.7819 -12.6578 -12.6578 -11.2616 -11.2616 -11.2351 -11.2351 -10.7266 -10.7266 -10.6362 -10.6362 -8.9712 -8.9712 -8.6626 -8.6626 -2.1928 -2.1928 -2.0944 -2.0944 -1.8749 -1.8749 -1.3990 -1.3990 -1.1666 -1.1666 -0.9948 -0.9948 -0.4793 -0.4793 0.1929 0.1929 0.4301 0.4301 0.6618 0.6618 0.9154 0.9154 0.9888 0.9888 1.2616 1.2616 1.3489 1.3489 1.4767 1.4767 1.7348 1.7348 1.8654 1.8654 1.9343 1.9343 2.1178 2.1178 2.1972 2.1972 2.5360 2.5360 2.8356 2.8356 2.9820 2.9820 3.0593 3.0593 4.8925 4.8925 5.1974 5.1974 5.6730 5.6730 5.9267 5.9267 6.2079 6.2079 9.3803 9.3803 9.5454 9.5454 k = 0.3333 0.0262 0.0556 ( 14250 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7751 -12.7751 -12.6578 -12.6578 -11.2606 -11.2606 -11.2334 -11.2334 -10.7237 -10.7237 -10.6391 -10.6391 -8.9728 -8.9728 -8.6634 -8.6634 -2.1927 -2.1927 -2.1049 -2.1049 -1.8846 -1.8846 -1.4034 -1.4034 -1.1828 -1.1828 -0.9959 -0.9959 -0.5094 -0.5094 0.1931 0.1931 0.4337 0.4337 0.6505 0.6505 0.9066 0.9066 0.9866 0.9866 1.2572 1.2572 1.3509 1.3509 1.4784 1.4784 1.7384 1.7384 1.8657 1.8657 1.9367 1.9367 2.1222 2.1222 2.1978 2.1978 2.5251 2.5251 2.8298 2.8298 2.9928 2.9928 3.0747 3.0747 4.9197 4.9197 5.1703 5.1703 5.6537 5.6537 5.9301 5.9301 6.1992 6.1992 9.4109 9.4109 9.5493 9.5493 k = 0.3472 0.0273 0.0579 ( 14241 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7685 -12.7685 -12.6580 -12.6580 -11.2596 -11.2596 -11.2319 -11.2319 -10.7207 -10.7207 -10.6420 -10.6420 -8.9745 -8.9745 -8.6641 -8.6641 -2.1929 -2.1929 -2.1148 -2.1148 -1.8938 -1.8938 -1.4072 -1.4072 -1.1979 -1.1979 -0.9963 -0.9963 -0.5386 -0.5386 0.1942 0.1942 0.4368 0.4368 0.6388 0.6388 0.8955 0.8955 0.9862 0.9862 1.2524 1.2524 1.3548 1.3548 1.4819 1.4819 1.7420 1.7420 1.8643 1.8643 1.9400 1.9400 2.1259 2.1259 2.1975 2.1975 2.5129 2.5129 2.8221 2.8221 3.0041 3.0041 3.0924 3.0924 4.9459 4.9459 5.1441 5.1441 5.6356 5.6356 5.9336 5.9336 6.1906 6.1906 9.4323 9.4323 9.5499 9.5499 k = 0.3611 0.0284 0.0602 ( 14236 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7621 -12.7621 -12.6584 -12.6584 -11.2586 -11.2586 -11.2304 -11.2304 -10.7178 -10.7178 -10.6449 -10.6449 -8.9760 -8.9760 -8.6648 -8.6648 -2.1933 -2.1933 -2.1240 -2.1240 -1.9024 -1.9024 -1.4107 -1.4107 -1.2117 -1.2117 -0.9960 -0.9960 -0.5668 -0.5668 0.1963 0.1963 0.4394 0.4394 0.6269 0.6269 0.8841 0.8841 0.9858 0.9858 1.2479 1.2479 1.3599 1.3599 1.4873 1.4873 1.7454 1.7454 1.8616 1.8616 1.9438 1.9438 2.1283 2.1283 2.1969 2.1969 2.4997 2.4997 2.8136 2.8136 3.0154 3.0154 3.1115 3.1115 4.9705 4.9705 5.1194 5.1194 5.6188 5.6188 5.9371 5.9371 6.1824 6.1824 9.4452 9.4452 9.5484 9.5484 k = 0.3750 0.0295 0.0625 ( 14234 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7559 -12.7559 -12.6589 -12.6589 -11.2577 -11.2577 -11.2291 -11.2291 -10.7148 -10.7148 -10.6478 -10.6478 -8.9775 -8.9775 -8.6653 -8.6653 -2.1939 -2.1939 -2.1325 -2.1325 -1.9103 -1.9103 -1.4137 -1.4137 -1.2243 -1.2243 -0.9949 -0.9949 -0.5937 -0.5937 0.1991 0.1991 0.4418 0.4418 0.6147 0.6147 0.8734 0.8734 0.9846 0.9846 1.2439 1.2439 1.3654 1.3654 1.4948 1.4948 1.7484 1.7484 1.8582 1.8582 1.9478 1.9478 2.1290 2.1290 2.1966 2.1966 2.4856 2.4856 2.8051 2.8051 3.0264 3.0264 3.1310 3.1310 4.9921 4.9921 5.0974 5.0974 5.6035 5.6035 5.9406 5.9406 6.1744 6.1744 9.4511 9.4511 9.5455 9.5455 k = 0.3889 0.0306 0.0648 ( 14236 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7499 -12.7499 -12.6597 -12.6597 -11.2568 -11.2568 -11.2279 -11.2279 -10.7119 -10.7119 -10.6508 -10.6508 -8.9789 -8.9789 -8.6659 -8.6659 -2.1945 -2.1945 -2.1403 -2.1403 -1.9174 -1.9174 -1.4164 -1.4164 -1.2357 -1.2357 -0.9931 -0.9931 -0.6193 -0.6193 0.2025 0.2025 0.4442 0.4442 0.6022 0.6022 0.8638 0.8638 0.9823 0.9823 1.2406 1.2406 1.3707 1.3707 1.5044 1.5044 1.7503 1.7503 1.8548 1.8548 1.9521 1.9521 2.1275 2.1275 2.1976 2.1976 2.4709 2.4709 2.7970 2.7970 3.0368 3.0368 3.1504 3.1504 5.0080 5.0080 5.0809 5.0809 5.5897 5.5897 5.9440 5.9440 6.1669 6.1669 9.4515 9.4515 9.5418 9.5418 k = 0.4028 0.0317 0.0672 ( 14229 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7443 -12.7443 -12.6606 -12.6606 -11.2561 -11.2561 -11.2268 -11.2268 -10.7090 -10.7090 -10.6537 -10.6537 -8.9801 -8.9801 -8.6663 -8.6663 -2.1952 -2.1952 -2.1473 -2.1473 -1.9238 -1.9238 -1.4188 -1.4188 -1.2458 -1.2458 -0.9905 -0.9905 -0.6433 -0.6433 0.2064 0.2064 0.4466 0.4466 0.5897 0.5897 0.8557 0.8557 0.9790 0.9790 1.2381 1.2381 1.3755 1.3755 1.5158 1.5158 1.7509 1.7509 1.8521 1.8521 1.9565 1.9565 2.1235 2.1235 2.2002 2.2002 2.4560 2.4560 2.7895 2.7895 3.0466 3.0466 3.1689 3.1689 5.0125 5.0125 5.0756 5.0756 5.5774 5.5774 5.9472 5.9472 6.1599 6.1599 9.4482 9.4482 9.5375 9.5375 k = 0.4167 0.0328 0.0695 ( 14219 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7391 -12.7391 -12.6617 -12.6617 -11.2554 -11.2554 -11.2259 -11.2259 -10.7061 -10.7061 -10.6565 -10.6565 -8.9813 -8.9813 -8.6667 -8.6667 -2.1960 -2.1960 -2.1535 -2.1535 -1.9292 -1.9292 -1.4208 -1.4208 -1.2546 -1.2546 -0.9874 -0.9874 -0.6655 -0.6655 0.2105 0.2105 0.4494 0.4494 0.5772 0.5772 0.8491 0.8491 0.9749 0.9749 1.2363 1.2363 1.3794 1.3794 1.5287 1.5287 1.7494 1.7494 1.8504 1.8504 1.9609 1.9609 2.1174 2.1174 2.2045 2.2045 2.4411 2.4411 2.7829 2.7829 3.0555 3.0555 3.1860 3.1860 5.0046 5.0046 5.0825 5.0825 5.5667 5.5667 5.9503 5.9503 6.1535 6.1535 9.4429 9.4429 9.5330 9.5330 k = 0.4306 0.0339 0.0718 ( 14218 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7344 -12.7344 -12.6628 -12.6628 -11.2548 -11.2548 -11.2251 -11.2251 -10.7034 -10.7034 -10.6592 -10.6592 -8.9822 -8.9822 -8.6670 -8.6670 -2.1966 -2.1966 -2.1589 -2.1589 -1.9339 -1.9339 -1.4225 -1.4225 -1.2621 -1.2621 -0.9838 -0.9838 -0.6854 -0.6854 0.2146 0.2146 0.4525 0.4525 0.5650 0.5650 0.8439 0.8439 0.9705 0.9705 1.2350 1.2350 1.3825 1.3825 1.5425 1.5425 1.7457 1.7457 1.8502 1.8502 1.9653 1.9653 2.1099 2.1099 2.2101 2.2101 2.4266 2.4266 2.7773 2.7773 3.0633 3.0633 3.2013 3.2013 4.9920 4.9920 5.0941 5.0941 5.5576 5.5576 5.9530 5.9530 6.1479 6.1479 9.4366 9.4366 9.5286 9.5286 k = 0.4444 0.0350 0.0741 ( 14220 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7303 -12.7303 -12.6640 -12.6640 -11.2543 -11.2543 -11.2244 -11.2244 -10.7009 -10.7009 -10.6617 -10.6617 -8.9831 -8.9831 -8.6673 -8.6673 -2.1972 -2.1972 -2.1635 -2.1635 -1.9376 -1.9376 -1.4239 -1.4239 -1.2683 -1.2683 -0.9800 -0.9800 -0.7027 -0.7027 0.2183 0.2183 0.4561 0.4561 0.5533 0.5533 0.8400 0.8400 0.9661 0.9661 1.2343 1.2343 1.3849 1.3849 1.5565 1.5565 1.7402 1.7402 1.8511 1.8511 1.9696 1.9696 2.1018 2.1018 2.2162 2.2162 2.4132 2.4132 2.7727 2.7727 3.0698 3.0698 3.2144 3.2144 4.9795 4.9795 5.1056 5.1056 5.5501 5.5501 5.9554 5.9554 6.1430 6.1430 9.4303 9.4303 9.5245 9.5245 k = 0.4583 0.0361 0.0764 ( 14227 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7269 -12.7269 -12.6650 -12.6650 -11.2540 -11.2540 -11.2239 -11.2239 -10.6987 -10.6987 -10.6640 -10.6640 -8.9837 -8.9837 -8.6675 -8.6675 -2.1976 -2.1976 -2.1671 -2.1671 -1.9405 -1.9405 -1.4249 -1.4249 -1.2731 -1.2731 -0.9764 -0.9764 -0.7169 -0.7169 0.2216 0.2216 0.4600 0.4600 0.5428 0.5428 0.8373 0.8373 0.9622 0.9622 1.2338 1.2338 1.3866 1.3866 1.5696 1.5696 1.7337 1.7337 1.8527 1.8527 1.9737 1.9737 2.0940 2.0940 2.2224 2.2224 2.4015 2.4015 2.7690 2.7690 3.0751 3.0751 3.2250 3.2250 4.9688 4.9688 5.1154 5.1154 5.5443 5.5443 5.9574 5.9574 6.1391 6.1391 9.4248 9.4248 9.5210 9.5210 k = 0.4722 0.0372 0.0787 ( 14234 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7243 -12.7243 -12.6659 -12.6659 -11.2537 -11.2537 -11.2235 -11.2235 -10.6969 -10.6969 -10.6658 -10.6658 -8.9842 -8.9842 -8.6677 -8.6677 -2.1979 -2.1979 -2.1697 -2.1697 -1.9426 -1.9426 -1.4257 -1.4257 -1.2766 -1.2766 -0.9734 -0.9734 -0.7276 -0.7276 0.2241 0.2241 0.4639 0.4639 0.5339 0.5339 0.8355 0.8355 0.9591 0.9591 1.2336 1.2336 1.3877 1.3877 1.5808 1.5808 1.7272 1.7272 1.8543 1.8543 1.9771 1.9771 2.0874 2.0874 2.2277 2.2277 2.3921 2.3921 2.7665 2.7665 3.0789 3.0789 3.2327 3.2327 4.9608 4.9608 5.1226 5.1226 5.5402 5.5402 5.9589 5.9589 6.1363 6.1363 9.4206 9.4206 9.5183 9.5183 k = 0.4861 0.0383 0.0810 ( 14229 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7227 -12.7227 -12.6664 -12.6664 -11.2535 -11.2535 -11.2233 -11.2233 -10.6957 -10.6957 -10.6670 -10.6670 -8.9845 -8.9845 -8.6677 -8.6677 -2.1981 -2.1981 -2.1713 -2.1713 -1.9439 -1.9439 -1.4261 -1.4261 -1.2786 -1.2786 -0.9714 -0.9714 -0.7342 -0.7342 0.2256 0.2256 0.4669 0.4669 0.5278 0.5278 0.8345 0.8345 0.9571 0.9571 1.2334 1.2334 1.3884 1.3884 1.5884 1.5884 1.7223 1.7223 1.8555 1.8555 1.9795 1.9795 2.0829 2.0829 2.2313 2.2313 2.3861 2.3861 2.7649 2.7649 3.0813 3.0813 3.2374 3.2374 4.9559 4.9559 5.1271 5.1271 5.5377 5.5377 5.9598 5.9598 6.1345 6.1345 9.4179 9.4179 9.5166 9.5166 k = 0.5000 0.0394 0.0834 ( 14224 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7222 -12.7222 -12.6666 -12.6666 -11.2535 -11.2535 -11.2232 -11.2232 -10.6953 -10.6953 -10.6674 -10.6674 -8.9846 -8.9846 -8.6678 -8.6678 -2.1981 -2.1981 -2.1718 -2.1718 -1.9443 -1.9443 -1.4263 -1.4263 -1.2793 -1.2793 -0.9707 -0.9707 -0.7365 -0.7365 0.2262 0.2262 0.4681 0.4681 0.5256 0.5256 0.8342 0.8342 0.9564 0.9564 1.2334 1.2334 1.3886 1.3886 1.5912 1.5912 1.7205 1.7205 1.8560 1.8560 1.9804 1.9804 2.0814 2.0814 2.2326 2.2326 2.3839 2.3839 2.7644 2.7644 3.0820 3.0820 3.2390 3.2390 4.9542 4.9542 5.1286 5.1286 5.5368 5.5368 5.9601 5.9601 6.1339 6.1339 9.4170 9.4170 9.5161 9.5161 k = 0.5000-0.2750-0.0082 ( 14238 PWs) bands (ev): -80.4324 -80.4324 -49.2984 -49.2984 -45.0818 -45.0818 -44.4914 -44.4914 -12.6995 -12.6995 -12.6820 -12.6820 -11.2561 -11.2561 -11.2409 -11.2409 -10.7122 -10.7122 -10.6308 -10.6308 -8.9086 -8.9086 -8.7853 -8.7853 -2.1932 -2.1932 -1.9724 -1.9724 -1.7339 -1.7339 -1.4219 -1.4219 -1.3399 -1.3399 -0.9627 -0.9627 -0.5618 -0.5618 0.2266 0.2266 0.3423 0.3423 0.5294 0.5294 0.6549 0.6549 0.7505 0.7505 1.2147 1.2147 1.3139 1.3139 1.3776 1.3776 1.6080 1.6080 1.8581 1.8581 1.9263 1.9263 2.0849 2.0849 2.1129 2.1129 2.4603 2.4603 2.6841 2.6841 3.1011 3.1011 3.1969 3.1969 4.6915 4.6915 5.8607 5.8607 5.9119 5.9119 6.1278 6.1278 6.2687 6.2687 9.4459 9.4459 9.6347 9.6347 k = 0.4875-0.2681-0.0080 ( 14231 PWs) bands (ev): -80.4323 -80.4323 -49.2984 -49.2984 -45.0818 -45.0818 -44.4914 -44.4914 -12.6998 -12.6998 -12.6819 -12.6819 -11.2565 -11.2565 -11.2407 -11.2407 -10.7125 -10.7125 -10.6305 -10.6305 -8.9088 -8.9088 -8.7845 -8.7845 -2.1934 -2.1934 -1.9734 -1.9734 -1.7341 -1.7341 -1.4220 -1.4220 -1.3409 -1.3409 -0.9629 -0.9629 -0.5609 -0.5609 0.2255 0.2255 0.3457 0.3457 0.5311 0.5311 0.6564 0.6564 0.7515 0.7515 1.2149 1.2149 1.3145 1.3145 1.3778 1.3778 1.6079 1.6079 1.8575 1.8575 1.9265 1.9265 2.0833 2.0833 2.1152 2.1152 2.4611 2.4611 2.6844 2.6844 3.1013 3.1013 3.1967 3.1967 4.6914 4.6914 5.8585 5.8585 5.9113 5.9113 6.1243 6.1243 6.2667 6.2667 9.4446 9.4446 9.6342 9.6342 k = 0.4750-0.2612-0.0078 ( 14223 PWs) bands (ev): -80.4323 -80.4323 -49.2984 -49.2984 -45.0818 -45.0818 -44.4914 -44.4914 -12.7007 -12.7007 -12.6817 -12.6817 -11.2576 -11.2576 -11.2403 -11.2403 -10.7136 -10.7136 -10.6297 -10.6297 -8.9094 -8.9094 -8.7822 -8.7822 -2.1942 -2.1942 -1.9762 -1.9762 -1.7346 -1.7346 -1.4221 -1.4221 -1.3438 -1.3438 -0.9632 -0.9632 -0.5582 -0.5582 0.2228 0.2228 0.3551 0.3551 0.5362 0.5362 0.6607 0.6607 0.7546 0.7546 1.2155 1.2155 1.3160 1.3160 1.3783 1.3783 1.6077 1.6077 1.8559 1.8559 1.9272 1.9272 2.0797 2.0797 2.1209 2.1209 2.4633 2.4633 2.6854 2.6854 3.1017 3.1017 3.1963 3.1963 4.6913 4.6913 5.8519 5.8519 5.9093 5.9093 6.1142 6.1142 6.2608 6.2608 9.4407 9.4407 9.6324 9.6324 k = 0.4625-0.2543-0.0076 ( 14222 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7022 -12.7022 -12.6814 -12.6814 -11.2593 -11.2593 -11.2398 -11.2398 -10.7153 -10.7153 -10.6284 -10.6284 -8.9104 -8.9104 -8.7785 -8.7785 -2.1953 -2.1953 -1.9808 -1.9808 -1.7354 -1.7354 -1.4222 -1.4222 -1.3483 -1.3483 -0.9639 -0.9639 -0.5538 -0.5538 0.2197 0.2197 0.3690 0.3690 0.5439 0.5439 0.6680 0.6680 0.7602 0.7602 1.2164 1.2164 1.3185 1.3185 1.3794 1.3794 1.6075 1.6075 1.8534 1.8534 1.9280 1.9280 2.0756 2.0756 2.1286 2.1286 2.4669 2.4669 2.6870 2.6870 3.1023 3.1023 3.1955 3.1955 4.6911 4.6911 5.8404 5.8404 5.9051 5.9051 6.0988 6.0988 6.2513 6.2513 9.4342 9.4342 9.6294 9.6294 k = 0.4500-0.2475-0.0074 ( 14222 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7043 -12.7043 -12.6810 -12.6810 -11.2614 -11.2614 -11.2393 -11.2393 -10.7175 -10.7175 -10.6267 -10.6267 -8.9116 -8.9116 -8.7735 -8.7735 -2.1970 -2.1970 -1.9872 -1.9872 -1.7366 -1.7366 -1.4223 -1.4223 -1.3540 -1.3540 -0.9648 -0.9648 -0.5476 -0.5476 0.2172 0.2172 0.3856 0.3856 0.5534 0.5534 0.6784 0.6784 0.7688 0.7688 1.2177 1.2177 1.3216 1.3216 1.3813 1.3813 1.6073 1.6073 1.8503 1.8503 1.9287 1.9287 2.0717 2.0717 2.1375 2.1375 2.4719 2.4719 2.6893 2.6893 3.1032 3.1032 3.1945 3.1945 4.6908 4.6908 5.8237 5.8237 5.8977 5.8977 6.0805 6.0805 6.2386 6.2386 9.4251 9.4251 9.6249 9.6249 k = 0.4375-0.2406-0.0072 ( 14222 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7069 -12.7069 -12.6805 -12.6805 -11.2639 -11.2639 -11.2389 -11.2389 -10.7202 -10.7202 -10.6247 -10.6247 -8.9129 -8.9129 -8.7675 -8.7675 -2.1991 -2.1991 -1.9951 -1.9951 -1.7382 -1.7382 -1.4224 -1.4224 -1.3601 -1.3601 -0.9661 -0.9661 -0.5396 -0.5396 0.2159 0.2159 0.4036 0.4036 0.5634 0.5634 0.6918 0.6918 0.7811 0.7811 1.2194 1.2194 1.3251 1.3251 1.3843 1.3843 1.6073 1.6073 1.8469 1.8469 1.9289 1.9289 2.0685 2.0685 2.1472 2.1472 2.4782 2.4782 2.6924 2.6924 3.1041 3.1041 3.1932 3.1932 4.6904 4.6904 5.8007 5.8007 5.8852 5.8852 6.0624 6.0624 6.2232 6.2232 9.4134 9.4134 9.6187 9.6187 k = 0.4250-0.2337-0.0070 ( 14217 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7099 -12.7099 -12.6800 -12.6800 -11.2665 -11.2665 -11.2386 -11.2386 -10.7232 -10.7232 -10.6224 -10.6224 -8.9142 -8.9142 -8.7606 -8.7606 -2.2016 -2.2016 -2.0044 -2.0044 -1.7402 -1.7402 -1.4227 -1.4227 -1.3658 -1.3658 -0.9676 -0.9676 -0.5300 -0.5300 0.2161 0.2161 0.4222 0.4222 0.5729 0.5729 0.7080 0.7080 0.7978 0.7978 1.2214 1.2214 1.3285 1.3285 1.3887 1.3887 1.6078 1.6078 1.8435 1.8435 1.9286 1.9286 2.0661 2.0661 2.1574 2.1574 2.4856 2.4856 2.6963 2.6963 3.1050 3.1050 3.1916 3.1916 4.6899 4.6899 5.7706 5.7706 5.8662 5.8662 6.0476 6.0476 6.2059 6.2059 9.3992 9.3992 9.6105 9.6105 k = 0.4125-0.2268-0.0068 ( 14226 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7135 -12.7135 -12.6795 -12.6795 -11.2693 -11.2693 -11.2386 -11.2386 -10.7265 -10.7265 -10.6201 -10.6201 -8.9155 -8.9155 -8.7530 -8.7530 -2.2044 -2.2044 -2.0149 -2.0149 -1.7427 -1.7427 -1.4237 -1.4237 -1.3700 -1.3700 -0.9695 -0.9695 -0.5187 -0.5187 0.2178 0.2178 0.4406 0.4406 0.5810 0.5810 0.7261 0.7261 0.8193 0.8193 1.2237 1.2237 1.3315 1.3315 1.3950 1.3950 1.6090 1.6090 1.8401 1.8401 1.9275 1.9275 2.0646 2.0646 2.1681 2.1681 2.4941 2.4941 2.7012 2.7012 3.1057 3.1057 3.1898 3.1898 4.6893 4.6893 5.7325 5.7325 5.8407 5.8407 6.0381 6.0381 6.1875 6.1875 9.3823 9.3823 9.6001 9.6001 k = 0.4000-0.2200-0.0066 ( 14217 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7175 -12.7175 -12.6789 -12.6789 -11.2721 -11.2721 -11.2388 -11.2388 -10.7299 -10.7299 -10.6177 -10.6177 -8.9166 -8.9166 -8.7449 -8.7449 -2.2076 -2.2076 -2.0263 -2.0263 -1.7455 -1.7455 -1.4259 -1.4259 -1.3714 -1.3714 -0.9717 -0.9717 -0.5057 -0.5057 0.2208 0.2208 0.4583 0.4583 0.5878 0.5878 0.7455 0.7455 0.8452 0.8452 1.2263 1.2263 1.3340 1.3340 1.4033 1.4033 1.6112 1.6112 1.8370 1.8370 1.9256 1.9256 2.0639 2.0639 2.1790 2.1790 2.5034 2.5034 2.7073 2.7073 3.1061 3.1061 3.1878 3.1878 4.6886 4.6886 5.6865 5.6865 5.8099 5.8099 6.0338 6.0338 6.1686 6.1686 9.3628 9.3628 9.5874 9.5874 k = 0.3875-0.2131-0.0064 ( 14216 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7220 -12.7220 -12.6783 -12.6783 -11.2749 -11.2749 -11.2391 -11.2391 -10.7334 -10.7334 -10.6154 -10.6154 -8.9176 -8.9176 -8.7365 -8.7365 -2.2109 -2.2109 -2.0382 -2.0382 -1.7488 -1.7488 -1.4295 -1.4295 -1.3692 -1.3692 -0.9740 -0.9740 -0.4912 -0.4912 0.2248 0.2248 0.4751 0.4751 0.5934 0.5934 0.7653 0.7653 0.8746 0.8746 1.2292 1.2292 1.3361 1.3361 1.4135 1.4135 1.6146 1.6146 1.8342 1.8342 1.9231 1.9231 2.0639 2.0639 2.1902 2.1902 2.5132 2.5132 2.7148 2.7148 3.1058 3.1058 3.1856 3.1856 4.6876 4.6876 5.6332 5.6332 5.7755 5.7755 6.0337 6.0337 6.1500 6.1500 9.3406 9.3406 9.5721 9.5721 k = 0.3750-0.2062-0.0062 ( 14225 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7269 -12.7269 -12.6778 -12.6778 -11.2777 -11.2777 -11.2397 -11.2397 -10.7368 -10.7368 -10.6131 -10.6131 -8.9184 -8.9184 -8.7279 -8.7279 -2.2145 -2.2145 -2.0503 -2.0503 -1.7524 -1.7524 -1.4342 -1.4342 -1.3635 -1.3635 -0.9766 -0.9766 -0.4752 -0.4752 0.2297 0.2297 0.4903 0.4903 0.5988 0.5988 0.7848 0.7848 0.9060 0.9060 1.2325 1.2325 1.3381 1.3381 1.4251 1.4251 1.6196 1.6196 1.8320 1.8320 1.9201 1.9201 2.0643 2.0643 2.2013 2.2013 2.5230 2.5230 2.7240 2.7240 3.1048 3.1048 3.1832 3.1832 4.6865 4.6865 5.5744 5.5744 5.7389 5.7389 6.0368 6.0368 6.1320 6.1320 9.3156 9.3156 9.5542 9.5542 k = 0.3625-0.1993-0.0060 ( 14227 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7321 -12.7321 -12.6772 -12.6772 -11.2804 -11.2804 -11.2405 -11.2405 -10.7403 -10.7403 -10.6109 -10.6109 -8.9191 -8.9191 -8.7192 -8.7192 -2.2180 -2.2180 -2.0623 -2.0623 -1.7563 -1.7563 -1.4392 -1.4392 -1.3546 -1.3546 -0.9792 -0.9792 -0.4578 -0.4578 0.2353 0.2353 0.5035 0.5035 0.6049 0.6049 0.8033 0.8033 0.9380 0.9380 1.2360 1.2360 1.3405 1.3405 1.4377 1.4377 1.6265 1.6265 1.8305 1.8305 1.9168 1.9168 2.0650 2.0650 2.2123 2.2123 2.5326 2.5326 2.7353 2.7353 3.1027 3.1027 3.1806 3.1806 4.6851 4.6851 5.5119 5.5119 5.7010 5.7010 6.0419 6.0419 6.1150 6.1150 9.2878 9.2878 9.5335 9.5335 k = 0.3500-0.1925-0.0058 ( 14226 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7378 -12.7378 -12.6766 -12.6766 -11.2830 -11.2830 -11.2414 -11.2414 -10.7436 -10.7436 -10.6088 -10.6088 -8.9195 -8.9195 -8.7107 -8.7107 -2.2215 -2.2215 -2.0740 -2.0740 -1.7603 -1.7603 -1.4439 -1.4439 -1.3430 -1.3430 -0.9819 -0.9819 -0.4389 -0.4389 0.2412 0.2412 0.5140 0.5140 0.6127 0.6127 0.8203 0.8203 0.9690 0.9690 1.2400 1.2400 1.3436 1.3436 1.4507 1.4507 1.6354 1.6354 1.8298 1.8298 1.9134 1.9134 2.0657 2.0657 2.2229 2.2229 2.5416 2.5416 2.7490 2.7490 3.0994 3.0994 3.1775 3.1775 4.6834 4.6834 5.4477 5.4477 5.6631 5.6631 6.0481 6.0481 6.0993 6.0993 9.2572 9.2572 9.5099 9.5099 k = 0.3375-0.1856-0.0056 ( 14219 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7438 -12.7438 -12.6760 -12.6760 -11.2854 -11.2854 -11.2424 -11.2424 -10.7468 -10.7468 -10.6069 -10.6069 -8.9199 -8.9199 -8.7023 -8.7023 -2.2248 -2.2248 -2.0849 -2.0849 -1.7643 -1.7643 -1.4480 -1.4480 -1.3289 -1.3289 -0.9846 -0.9846 -0.4187 -0.4187 0.2472 0.2472 0.5215 0.5215 0.6229 0.6229 0.8349 0.8349 0.9982 0.9982 1.2445 1.2445 1.3478 1.3478 1.4635 1.4635 1.6464 1.6464 1.8300 1.8300 1.9103 1.9103 2.0662 2.0662 2.2328 2.2328 2.5497 2.5497 2.7652 2.7652 3.0947 3.0947 3.1738 3.1738 4.6813 4.6813 5.3836 5.3836 5.6260 5.6260 6.0539 6.0539 6.0862 6.0862 9.2237 9.2237 9.4836 9.4836 k = 0.3250-0.1787-0.0053 ( 14218 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7500 -12.7500 -12.6755 -12.6755 -11.2877 -11.2877 -11.2435 -11.2435 -10.7499 -10.7499 -10.6051 -10.6051 -8.9202 -8.9202 -8.6942 -8.6942 -2.2276 -2.2276 -2.0949 -2.0949 -1.7680 -1.7680 -1.4513 -1.4513 -1.3126 -1.3126 -0.9872 -0.9872 -0.3973 -0.3973 0.2533 0.2533 0.5261 0.5261 0.6357 0.6357 0.8464 0.8464 1.0248 1.0248 1.2495 1.2495 1.3531 1.3531 1.4755 1.4755 1.6592 1.6592 1.8314 1.8314 1.9078 1.9078 2.0663 2.0663 2.2417 2.2417 2.5568 2.5568 2.7840 2.7840 3.0885 3.0885 3.1692 3.1692 4.6788 4.6788 5.3214 5.3214 5.5910 5.5910 6.0542 6.0542 6.0803 6.0803 9.1873 9.1873 9.4546 9.4546 k = 0.3125-0.1719-0.0051 ( 14223 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7566 -12.7566 -12.6750 -12.6750 -11.2897 -11.2897 -11.2448 -11.2448 -10.7527 -10.7527 -10.6035 -10.6035 -8.9204 -8.9204 -8.6864 -8.6864 -2.2300 -2.2300 -2.1038 -2.1038 -1.7714 -1.7714 -1.4535 -1.4535 -1.2943 -1.2943 -0.9896 -0.9896 -0.3746 -0.3746 0.2592 0.2592 0.5282 0.5282 0.6507 0.6507 0.8543 0.8543 1.0487 1.0487 1.2551 1.2551 1.3595 1.3595 1.4864 1.4864 1.6732 1.6732 1.8339 1.8339 1.9063 1.9063 2.0660 2.0660 2.2490 2.2490 2.5628 2.5628 2.8052 2.8052 3.0807 3.0807 3.1631 3.1631 4.6758 4.6758 5.2626 5.2626 5.5593 5.5593 6.0452 6.0452 6.0851 6.0851 9.1483 9.1483 9.4231 9.4231 k = 0.3000-0.1650-0.0049 ( 14218 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7633 -12.7633 -12.6746 -12.6746 -11.2915 -11.2915 -11.2460 -11.2460 -10.7554 -10.7554 -10.6021 -10.6021 -8.9206 -8.9206 -8.6792 -8.6792 -2.2317 -2.2317 -2.1114 -2.1114 -1.7742 -1.7742 -1.4548 -1.4548 -1.2742 -1.2742 -0.9918 -0.9918 -0.3509 -0.3509 0.2649 0.2649 0.5286 0.5286 0.6674 0.6674 0.8579 0.8579 1.0703 1.0703 1.2613 1.2613 1.3668 1.3668 1.4961 1.4961 1.6877 1.6877 1.8374 1.8374 1.9063 1.9063 2.0653 2.0653 2.2544 2.2544 2.5680 2.5680 2.8283 2.8283 3.0714 3.0714 3.1553 3.1553 4.6723 4.6723 5.2087 5.2087 5.5318 5.5318 6.0328 6.0328 6.0943 6.0943 9.1067 9.1067 9.3896 9.3896 k = 0.2875-0.1581-0.0047 ( 14218 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7703 -12.7703 -12.6742 -12.6742 -11.2930 -11.2930 -11.2473 -11.2473 -10.7578 -10.7578 -10.6009 -10.6009 -8.9209 -8.9209 -8.6724 -8.6724 -2.2328 -2.2328 -2.1175 -2.1175 -1.7763 -1.7763 -1.4550 -1.4550 -1.2524 -1.2524 -0.9938 -0.9938 -0.3262 -0.3262 0.2701 0.2701 0.5278 0.5278 0.6850 0.6850 0.8572 0.8572 1.0902 1.0902 1.2681 1.2681 1.3744 1.3744 1.5045 1.5045 1.7016 1.7016 1.8413 1.8413 1.9086 1.9086 2.0640 2.0640 2.2573 2.2573 2.5724 2.5724 2.8527 2.8527 3.0605 3.0605 3.1455 3.1455 4.6684 4.6684 5.1613 5.1613 5.5098 5.5098 6.0198 6.0198 6.1050 6.1050 9.0627 9.0627 9.3544 9.3544 k = 0.2750-0.1512-0.0045 ( 14217 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7774 -12.7774 -12.6738 -12.6738 -11.2943 -11.2943 -11.2486 -11.2486 -10.7600 -10.7600 -10.5998 -10.5998 -8.9212 -8.9212 -8.6662 -8.6662 -2.2330 -2.2330 -2.1219 -2.1219 -1.7775 -1.7775 -1.4541 -1.4541 -1.2292 -1.2292 -0.9954 -0.9954 -0.3006 -0.3006 0.2749 0.2749 0.5262 0.5262 0.7030 0.7030 0.8521 0.8521 1.1090 1.1090 1.2753 1.2753 1.3821 1.3821 1.5114 1.5114 1.7143 1.7143 1.8448 1.8448 1.9137 1.9137 2.0623 2.0623 2.2572 2.2572 2.5763 2.5763 2.8775 2.8775 3.0482 3.0482 3.1336 3.1336 4.6640 4.6640 5.1215 5.1215 5.4939 5.4939 6.0067 6.0067 6.1164 6.1164 9.0166 9.0166 9.3181 9.3181 k = 0.2625-0.1444-0.0043 ( 14221 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7846 -12.7846 -12.6735 -12.6735 -11.2953 -11.2953 -11.2499 -11.2499 -10.7619 -10.7619 -10.5990 -10.5990 -8.9217 -8.9217 -8.6606 -8.6606 -2.2325 -2.2325 -2.1246 -2.1246 -1.7779 -1.7779 -1.4522 -1.4522 -1.2047 -1.2047 -0.9966 -0.9966 -0.2742 -0.2742 0.2791 0.2791 0.5242 0.5242 0.7207 0.7207 0.8433 0.8433 1.1272 1.1272 1.2828 1.2828 1.3894 1.3894 1.5170 1.5170 1.7253 1.7253 1.8472 1.8472 1.9218 1.9218 2.0604 2.0604 2.2539 2.2539 2.5798 2.5798 2.9011 2.9011 3.0350 3.0350 3.1199 3.1199 4.6592 4.6592 5.0903 5.0903 5.4850 5.4850 5.9939 5.9939 6.1282 6.1282 8.9687 8.9687 9.2813 9.2813 k = 0.2500-0.1375-0.0041 ( 14215 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7918 -12.7918 -12.6733 -12.6733 -11.2961 -11.2961 -11.2511 -11.2511 -10.7636 -10.7636 -10.5983 -10.5983 -8.9222 -8.9222 -8.6556 -8.6556 -2.2313 -2.2313 -2.1253 -2.1253 -1.7773 -1.7773 -1.4493 -1.4493 -1.1791 -1.1791 -0.9973 -0.9973 -0.2471 -0.2471 0.2827 0.2827 0.5217 0.5217 0.7370 0.7370 0.8320 0.8320 1.1451 1.1451 1.2906 1.2906 1.3963 1.3963 1.5213 1.5213 1.7344 1.7344 1.8481 1.8481 1.9319 1.9319 2.0586 2.0586 2.2470 2.2470 2.5830 2.5830 2.9203 2.9203 3.0227 3.0227 3.1053 3.1053 4.6540 4.6540 5.0686 5.0686 5.4833 5.4833 5.9812 5.9812 6.1402 6.1402 8.9194 8.9194 9.2444 9.2444 k = 0.2375-0.1306-0.0039 ( 14216 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.7991 -12.7991 -12.6731 -12.6731 -11.2965 -11.2965 -11.2523 -11.2523 -10.7651 -10.7651 -10.5977 -10.5977 -8.9230 -8.9230 -8.6513 -8.6513 -2.2297 -2.2297 -2.1238 -2.1238 -1.7757 -1.7757 -1.4453 -1.4453 -1.1526 -1.1526 -0.9974 -0.9974 -0.2195 -0.2195 0.2857 0.2857 0.5190 0.5190 0.7497 0.7497 0.8205 0.8205 1.1630 1.1630 1.2987 1.2987 1.4026 1.4026 1.5242 1.5242 1.7420 1.7420 1.8477 1.8477 1.9425 1.9425 2.0573 2.0573 2.2365 2.2365 2.5856 2.5856 2.9292 2.9292 3.0154 3.0154 3.0915 3.0915 4.6486 4.6486 5.0570 5.0570 5.4891 5.4891 5.9689 5.9689 6.1524 6.1524 8.8691 8.8691 9.2080 9.2080 k = 0.2250-0.1237-0.0037 ( 14216 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8063 -12.8063 -12.6730 -12.6730 -11.2967 -11.2967 -11.2535 -11.2535 -10.7663 -10.7663 -10.5973 -10.5973 -8.9239 -8.9239 -8.6476 -8.6476 -2.2277 -2.2277 -2.1201 -2.1201 -1.7732 -1.7732 -1.4403 -1.4403 -1.1254 -1.1254 -0.9968 -0.9968 -0.1915 -0.1915 0.2879 0.2879 0.5157 0.5157 0.7540 0.7540 0.8142 0.8142 1.1809 1.1809 1.3072 1.3072 1.4083 1.4083 1.5261 1.5261 1.7481 1.7481 1.8462 1.8462 1.9517 1.9517 2.0571 2.0571 2.2226 2.2226 2.5876 2.5876 2.9222 2.9222 3.0156 3.0156 3.0818 3.0818 4.6429 4.6429 5.0554 5.0554 5.5023 5.5023 5.9569 5.9569 6.1645 6.1645 8.8181 8.8181 9.1725 9.1725 k = 0.2125-0.1169-0.0035 ( 14217 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8135 -12.8135 -12.6730 -12.6730 -11.2967 -11.2967 -11.2546 -11.2546 -10.7673 -10.7673 -10.5970 -10.5970 -8.9249 -8.9249 -8.6445 -8.6445 -2.2257 -2.2257 -2.1139 -2.1139 -1.7700 -1.7700 -1.4341 -1.4341 -1.0979 -1.0979 -0.9955 -0.9955 -0.1633 -0.1633 0.2893 0.2893 0.5119 0.5119 0.7457 0.7457 0.8178 0.8178 1.1986 1.1986 1.3160 1.3160 1.4137 1.4137 1.5268 1.5268 1.7529 1.7529 1.8437 1.8437 1.9581 1.9581 2.0583 2.0583 2.2055 2.2055 2.5884 2.5884 2.9027 2.9027 3.0152 3.0152 3.0815 3.0815 4.6371 4.6371 5.0637 5.0637 5.5226 5.5226 5.9453 5.9453 6.1766 6.1766 8.7670 8.7670 9.1384 9.1384 k = 0.2000-0.1100-0.0033 ( 14224 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8205 -12.8205 -12.6730 -12.6730 -11.2964 -11.2964 -11.2556 -11.2556 -10.7681 -10.7681 -10.5969 -10.5969 -8.9261 -8.9261 -8.6420 -8.6420 -2.2239 -2.2239 -2.1052 -2.1052 -1.7662 -1.7662 -1.4267 -1.4267 -1.0706 -1.0706 -0.9929 -0.9929 -0.1351 -0.1351 0.2899 0.2899 0.5070 0.5070 0.7292 0.7292 0.8276 0.8276 1.2159 1.2159 1.3254 1.3254 1.4187 1.4187 1.5267 1.5267 1.7566 1.7566 1.8403 1.8403 1.9606 1.9606 2.0610 2.0610 2.1858 2.1858 2.5874 2.5874 2.8771 2.8771 3.0076 3.0076 3.0919 3.0919 4.6315 4.6315 5.0811 5.0811 5.5494 5.5494 5.9343 5.9343 6.1887 6.1887 8.7159 8.7159 9.1060 9.1060 k = 0.1875-0.1031-0.0031 ( 14229 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8273 -12.8273 -12.6731 -12.6731 -11.2958 -11.2958 -11.2566 -11.2566 -10.7687 -10.7687 -10.5969 -10.5969 -8.9275 -8.9275 -8.6401 -8.6401 -2.2223 -2.2223 -2.0940 -2.0940 -1.7620 -1.7620 -1.4180 -1.4180 -1.0443 -1.0443 -0.9885 -0.9885 -0.1070 -0.1070 0.2895 0.2895 0.5006 0.5006 0.7101 0.7101 0.8389 0.8389 1.2325 1.2325 1.3353 1.3353 1.4236 1.4236 1.5261 1.5261 1.7592 1.7592 1.8359 1.8359 1.9593 1.9593 2.0643 2.0643 2.1644 2.1644 2.5842 2.5842 2.8498 2.8498 2.9952 2.9952 3.1077 3.1077 4.6262 4.6262 5.1065 5.1065 5.5823 5.5823 5.9240 5.9240 6.2006 6.2006 8.6654 8.6654 9.0755 9.0755 k = 0.1750-0.0962-0.0029 ( 14236 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8339 -12.8339 -12.6732 -12.6732 -11.2950 -11.2950 -11.2576 -11.2576 -10.7691 -10.7691 -10.5969 -10.5969 -8.9291 -8.9291 -8.6387 -8.6387 -2.2210 -2.2210 -2.0806 -2.0806 -1.7577 -1.7577 -1.4079 -1.4079 -1.0213 -1.0213 -0.9803 -0.9803 -0.0793 -0.0793 0.2880 0.2880 0.4922 0.4922 0.6913 0.6913 0.8498 0.8498 1.2481 1.2481 1.3458 1.3458 1.4285 1.4285 1.5251 1.5251 1.7607 1.7607 1.8302 1.8302 1.9546 1.9546 2.0663 2.0663 2.1430 2.1430 2.5780 2.5780 2.8235 2.8235 2.9810 2.9810 3.1247 3.1247 4.6216 4.6216 5.1386 5.1386 5.6202 5.6202 5.9144 5.9144 6.2125 6.2125 8.6157 8.6157 9.0471 9.0471 k = 0.1625-0.0894-0.0027 ( 14234 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8403 -12.8403 -12.6734 -12.6734 -11.2940 -11.2940 -11.2585 -11.2585 -10.7693 -10.7693 -10.5971 -10.5971 -8.9307 -8.9307 -8.6378 -8.6378 -2.2200 -2.2200 -2.0651 -2.0651 -1.7536 -1.7536 -1.3964 -1.3964 -1.0053 -1.0053 -0.9647 -0.9647 -0.0522 -0.0522 0.2851 0.2851 0.4813 0.4813 0.6748 0.6748 0.8594 0.8594 1.2621 1.2621 1.3568 1.3568 1.4336 1.4336 1.5244 1.5244 1.7610 1.7610 1.8231 1.8231 1.9473 1.9473 2.0638 2.0638 2.1251 2.1251 2.5685 2.5685 2.8004 2.8004 2.9661 2.9661 3.1411 3.1411 4.6179 4.6179 5.1760 5.1760 5.6622 5.6622 5.9057 5.9057 6.2244 6.2244 8.5671 8.5671 9.0211 9.0211 k = 0.1500-0.0825-0.0025 ( 14244 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8464 -12.8464 -12.6736 -12.6736 -11.2929 -11.2929 -11.2594 -11.2594 -10.7693 -10.7693 -10.5973 -10.5973 -8.9325 -8.9325 -8.6373 -8.6373 -2.2193 -2.2193 -2.0478 -2.0478 -1.7499 -1.7499 -1.3835 -1.3835 -0.9961 -0.9961 -0.9424 -0.9424 -0.0261 -0.0261 0.2806 0.2806 0.4679 0.4679 0.6617 0.6617 0.8672 0.8672 1.2744 1.2744 1.3679 1.3679 1.4393 1.4393 1.5242 1.5242 1.7598 1.7598 1.8143 1.8143 1.9378 1.9378 2.0533 2.0533 2.1146 2.1146 2.5556 2.5556 2.7816 2.7816 2.9512 2.9512 3.1559 3.1559 4.6150 4.6150 5.2171 5.2171 5.7073 5.7073 5.8982 5.8982 6.2364 6.2364 8.5201 8.5201 8.9973 8.9973 k = 0.1375-0.0756-0.0023 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8521 -12.8521 -12.6738 -12.6738 -11.2915 -11.2915 -11.2603 -11.2603 -10.7692 -10.7692 -10.5976 -10.5976 -8.9343 -8.9343 -8.6371 -8.6371 -2.2188 -2.2188 -2.0291 -2.0291 -1.7469 -1.7469 -1.3690 -1.3690 -0.9898 -0.9898 -0.9176 -0.9176 -0.0012 -0.0012 0.2742 0.2742 0.4527 0.4527 0.6525 0.6525 0.8731 0.8731 1.2847 1.2847 1.3785 1.3785 1.4458 1.4458 1.5251 1.5251 1.7565 1.7565 1.8040 1.8040 1.9265 1.9265 2.0363 2.0363 2.1108 2.1108 2.5400 2.5400 2.7674 2.7674 2.9364 2.9364 3.1691 3.1691 4.6131 4.6131 5.2603 5.2603 5.7541 5.7541 5.8920 5.8920 6.2485 6.2485 8.4748 8.4748 8.9759 8.9759 k = 0.1250-0.0687-0.0021 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8575 -12.8575 -12.6740 -12.6740 -11.2901 -11.2901 -11.2611 -11.2611 -10.7690 -10.7690 -10.5980 -10.5980 -8.9361 -8.9361 -8.6373 -8.6373 -2.2185 -2.2185 -2.0094 -2.0094 -1.7449 -1.7449 -1.3533 -1.3533 -0.9845 -0.9845 -0.8925 -0.8925 0.0219 0.0219 0.2656 0.2656 0.4368 0.4368 0.6471 0.6471 0.8768 0.8768 1.2933 1.2933 1.3875 1.3875 1.4533 1.4533 1.5278 1.5278 1.7502 1.7502 1.7929 1.7929 1.9140 1.9140 2.0176 2.0176 2.1101 2.1101 2.5231 2.5231 2.7575 2.7575 2.9219 2.9219 3.1804 3.1804 4.6120 4.6120 5.3043 5.3043 5.8015 5.8015 5.8874 5.8874 6.2608 6.2608 8.4317 8.4317 8.9567 8.9567 k = 0.1125-0.0619-0.0019 ( 14254 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8624 -12.8624 -12.6743 -12.6743 -11.2885 -11.2885 -11.2621 -11.2621 -10.7687 -10.7687 -10.5983 -10.5983 -8.9379 -8.9379 -8.6377 -8.6377 -2.2184 -2.2184 -1.9888 -1.9888 -1.7441 -1.7441 -1.3364 -1.3364 -0.9796 -0.9796 -0.8682 -0.8682 0.0428 0.0428 0.2550 0.2550 0.4216 0.4216 0.6449 0.6449 0.8785 0.8785 1.3003 1.3003 1.3942 1.3942 1.4617 1.4617 1.5326 1.5326 1.7392 1.7392 1.7825 1.7825 1.9008 1.9008 2.0004 2.0004 2.1101 2.1101 2.5059 2.5059 2.7509 2.7509 2.9077 2.9077 3.1901 3.1901 4.6116 4.6116 5.3475 5.3475 5.8480 5.8480 5.8847 5.8847 6.2736 6.2736 8.3910 8.3910 8.9397 8.9397 k = 0.1000-0.0550-0.0016 ( 14259 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8669 -12.8669 -12.6746 -12.6746 -11.2868 -11.2868 -11.2630 -11.2630 -10.7684 -10.7684 -10.5987 -10.5987 -8.9397 -8.9397 -8.6382 -8.6382 -2.2184 -2.2184 -1.9679 -1.9679 -1.7447 -1.7447 -1.3186 -1.3186 -0.9750 -0.9750 -0.8453 -0.8453 0.0606 0.0606 0.2431 0.2431 0.4081 0.4081 0.6454 0.6454 0.8781 0.8781 1.3060 1.3060 1.3982 1.3982 1.4705 1.4705 1.5398 1.5398 1.7230 1.7230 1.7740 1.7740 1.8877 1.8877 1.9857 1.9857 2.1098 2.1098 2.4895 2.4895 2.7469 2.7469 2.8941 2.8941 3.1981 3.1981 4.6119 4.6119 5.3886 5.3886 5.8820 5.8820 5.8941 5.8941 6.2868 6.2868 8.3532 8.3532 8.9247 8.9247 k = 0.0875-0.0481-0.0014 ( 14263 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8710 -12.8710 -12.6748 -12.6748 -11.2851 -11.2851 -11.2640 -11.2640 -10.7680 -10.7680 -10.5991 -10.5991 -8.9413 -8.9413 -8.6389 -8.6389 -2.2185 -2.2185 -1.9469 -1.9469 -1.7467 -1.7467 -1.3005 -1.3005 -0.9709 -0.9709 -0.8242 -0.8242 0.0744 0.0744 0.2313 0.2313 0.3970 0.3970 0.6479 0.6479 0.8758 0.8758 1.3108 1.3108 1.3996 1.3996 1.4792 1.4792 1.5489 1.5489 1.7033 1.7033 1.7670 1.7670 1.8754 1.8754 1.9737 1.9737 2.1090 2.1090 2.4746 2.4746 2.7448 2.7448 2.8810 2.8810 3.2048 3.2048 4.6126 4.6126 5.4263 5.4263 5.8840 5.8840 5.9341 5.9341 6.3006 6.3006 8.3186 8.3186 8.9116 8.9116 k = 0.0750-0.0412-0.0012 ( 14263 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8746 -12.8746 -12.6751 -12.6751 -11.2833 -11.2833 -11.2650 -11.2650 -10.7677 -10.7677 -10.5994 -10.5994 -8.9428 -8.9428 -8.6396 -8.6396 -2.2186 -2.2186 -1.9262 -1.9262 -1.7503 -1.7503 -1.2825 -1.2825 -0.9672 -0.9672 -0.8051 -0.8051 0.0830 0.0830 0.2217 0.2217 0.3881 0.3881 0.6518 0.6518 0.8720 0.8720 1.3152 1.3152 1.3985 1.3985 1.4875 1.4875 1.5589 1.5589 1.6831 1.6831 1.7605 1.7605 1.8645 1.8645 1.9639 1.9639 2.1079 2.1079 2.4617 2.4617 2.7442 2.7442 2.8686 2.8686 3.2102 3.2102 4.6136 4.6136 5.4596 5.4596 5.8869 5.8869 5.9705 5.9705 6.3147 6.3147 8.2875 8.2875 8.9003 8.9003 k = 0.0625-0.0344-0.0010 ( 14267 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8776 -12.8776 -12.6753 -12.6753 -11.2816 -11.2816 -11.2661 -11.2661 -10.7673 -10.7673 -10.5997 -10.5997 -8.9442 -8.9442 -8.6403 -8.6403 -2.2188 -2.2188 -1.9061 -1.9061 -1.7553 -1.7553 -1.2653 -1.2653 -0.9641 -0.9641 -0.7885 -0.7885 0.0858 0.0858 0.2160 0.2160 0.3813 0.3813 0.6566 0.6566 0.8671 0.8671 1.3195 1.3195 1.3952 1.3952 1.4955 1.4955 1.5677 1.5677 1.6656 1.6656 1.7538 1.7538 1.8551 1.8551 1.9560 1.9560 2.1064 2.1064 2.4509 2.4509 2.7448 2.7448 2.8572 2.8572 3.2144 3.2144 4.6147 4.6147 5.4878 5.4878 5.8914 5.8914 6.0015 6.0015 6.3289 6.3289 8.2604 8.2604 8.8906 8.8906 k = 0.0500-0.0275-0.0008 ( 14264 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8801 -12.8801 -12.6755 -12.6755 -11.2798 -11.2798 -11.2672 -11.2672 -10.7670 -10.7670 -10.6000 -10.6000 -8.9453 -8.9453 -8.6409 -8.6409 -2.2189 -2.2189 -1.8870 -1.8870 -1.7617 -1.7617 -1.2496 -1.2496 -0.9618 -0.9618 -0.7746 -0.7746 0.0836 0.0836 0.2144 0.2144 0.3760 0.3760 0.6617 0.6617 0.8615 0.8615 1.3242 1.3242 1.3899 1.3899 1.5031 1.5031 1.5724 1.5724 1.6542 1.6542 1.7468 1.7468 1.8475 1.8475 1.9496 1.9496 2.1049 2.1049 2.4421 2.4421 2.7462 2.7462 2.8468 2.8468 3.2178 3.2178 4.6158 4.6158 5.5106 5.5106 5.8967 5.8967 6.0267 6.0267 6.3424 6.3424 8.2376 8.2376 8.8826 8.8826 k = 0.0375-0.0206-0.0006 ( 14259 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8821 -12.8821 -12.6757 -12.6757 -11.2781 -11.2781 -11.2684 -11.2684 -10.7667 -10.7667 -10.6003 -10.6003 -8.9463 -8.9463 -8.6414 -8.6414 -2.2191 -2.2191 -1.8694 -1.8694 -1.7694 -1.7694 -1.2362 -1.2362 -0.9601 -0.9601 -0.7635 -0.7635 0.0785 0.0785 0.2157 0.2157 0.3722 0.3722 0.6667 0.6667 0.8560 0.8560 1.3293 1.3293 1.3833 1.3833 1.5105 1.5105 1.5711 1.5711 1.6510 1.6510 1.7395 1.7395 1.8417 1.8417 1.9447 1.9447 2.1035 2.1035 2.4354 2.4354 2.7481 2.7481 2.8379 2.8379 3.2202 3.2202 4.6168 4.6168 5.5279 5.5279 5.9023 5.9023 6.0460 6.0460 6.3543 6.3543 8.2195 8.2195 8.8763 8.8763 k = 0.0250-0.0137-0.0004 ( 14260 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8835 -12.8835 -12.6758 -12.6758 -11.2765 -11.2765 -11.2697 -11.2697 -10.7665 -10.7665 -10.6004 -10.6004 -8.9469 -8.9469 -8.6418 -8.6418 -2.2192 -2.2192 -1.8539 -1.8539 -1.7775 -1.7775 -1.2260 -1.2260 -0.9590 -0.9590 -0.7556 -0.7556 0.0729 0.0729 0.2181 0.2181 0.3695 0.3695 0.6709 0.6709 0.8512 0.8512 1.3349 1.3349 1.3759 1.3759 1.5172 1.5172 1.5654 1.5654 1.6538 1.6538 1.7326 1.7326 1.8377 1.8377 1.9412 1.9412 2.1023 2.1023 2.4307 2.4307 2.7500 2.7500 2.8309 2.8309 3.2219 3.2219 4.6176 4.6176 5.5399 5.5399 5.9071 5.9071 6.0595 6.0595 6.3638 6.3638 8.2063 8.2063 8.8718 8.8718 k = 0.0125-0.0069-0.0002 ( 14260 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8844 -12.8844 -12.6758 -12.6758 -11.2750 -11.2750 -11.2709 -11.2709 -10.7663 -10.7663 -10.6005 -10.6005 -8.9473 -8.9473 -8.6421 -8.6421 -2.2192 -2.2192 -1.8422 -1.8422 -1.7849 -1.7849 -1.2195 -1.2195 -0.9584 -0.9584 -0.7507 -0.7507 0.0689 0.0689 0.2201 0.2201 0.3679 0.3679 0.6737 0.6737 0.8480 0.8480 1.3403 1.3403 1.3691 1.3691 1.5227 1.5227 1.5593 1.5593 1.6580 1.6580 1.7272 1.7272 1.8353 1.8353 1.9390 1.9390 2.1016 2.1016 2.4279 2.4279 2.7515 2.7515 2.8264 2.8264 3.2229 3.2229 4.6181 4.6181 5.5469 5.5469 5.9104 5.9104 6.0674 6.0674 6.3699 6.3699 8.1983 8.1983 8.8690 8.8690 k = 0.0000 0.0000 0.0000 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8847 -12.8847 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2193 -2.2193 -1.8374 -1.8374 -1.7881 -1.7881 -1.2173 -1.2173 -0.9582 -0.9582 -0.7491 -0.7491 0.0675 0.0675 0.2208 0.2208 0.3674 0.3674 0.6747 0.6747 0.8469 0.8469 1.3430 1.3430 1.3659 1.3659 1.5251 1.5251 1.5565 1.5565 1.6600 1.6600 1.7252 1.7252 1.8345 1.8345 1.9383 1.9383 2.1013 2.1013 2.4270 2.4270 2.7521 2.7521 2.8248 2.8248 3.2233 3.2233 4.6182 4.6182 5.5493 5.5493 5.9115 5.9115 6.0701 6.0701 6.3720 6.3720 8.1956 8.1956 8.8681 8.8681 k = 0.0000 0.0000 0.0000 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8847 -12.8847 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2193 -2.2193 -1.8374 -1.8374 -1.7881 -1.7881 -1.2173 -1.2173 -0.9582 -0.9582 -0.7491 -0.7491 0.0675 0.0675 0.2208 0.2208 0.3674 0.3674 0.6747 0.6747 0.8469 0.8469 1.3430 1.3430 1.3659 1.3659 1.5251 1.5251 1.5565 1.5565 1.6600 1.6600 1.7252 1.7252 1.8345 1.8345 1.9383 1.9383 2.1013 2.1013 2.4270 2.4270 2.7521 2.7521 2.8248 2.8248 3.2233 3.2233 4.6182 4.6182 5.5493 5.5493 5.9115 5.9115 6.0701 6.0701 6.3720 6.3720 8.1956 8.1956 8.8681 8.8681 k =-0.0132-0.0010 0.0049 ( 14259 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8844 -12.8844 -12.6758 -12.6758 -11.2750 -11.2750 -11.2708 -11.2708 -10.7663 -10.7663 -10.6006 -10.6006 -8.9476 -8.9476 -8.6421 -8.6421 -2.2194 -2.2194 -1.8427 -1.8427 -1.7836 -1.7836 -1.2188 -1.2188 -0.9577 -0.9577 -0.7504 -0.7504 0.0671 0.0671 0.2200 0.2200 0.3675 0.3675 0.6751 0.6751 0.8476 0.8476 1.3420 1.3420 1.3661 1.3661 1.5226 1.5226 1.5578 1.5578 1.6584 1.6584 1.7261 1.7261 1.8354 1.8354 1.9393 1.9393 2.1025 2.1025 2.4275 2.4275 2.7508 2.7508 2.8263 2.8263 3.2224 3.2224 4.6187 4.6187 5.5496 5.5496 5.9100 5.9100 6.0691 6.0691 6.3705 6.3705 8.1989 8.1989 8.8702 8.8702 k =-0.0263-0.0021 0.0098 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8837 -12.8837 -12.6758 -12.6758 -11.2763 -11.2763 -11.2693 -11.2693 -10.7662 -10.7662 -10.6006 -10.6006 -8.9478 -8.9478 -8.6420 -8.6420 -2.2198 -2.2198 -1.8551 -1.8551 -1.7736 -1.7736 -1.2234 -1.2234 -0.9563 -0.9563 -0.7541 -0.7541 0.0659 0.0659 0.2178 0.2178 0.3679 0.3679 0.6761 0.6761 0.8499 0.8499 1.3388 1.3388 1.3666 1.3666 1.5160 1.5160 1.5604 1.5604 1.6543 1.6543 1.7285 1.7285 1.8382 1.8382 1.9422 1.9422 2.1058 2.1058 2.4292 2.4292 2.7472 2.7472 2.8306 2.8306 3.2198 3.2198 4.6203 4.6203 5.5504 5.5504 5.9054 5.9054 6.0662 6.0662 6.3659 6.3659 8.2089 8.2089 8.8766 8.8766 k =-0.0395-0.0031 0.0147 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8824 -12.8824 -12.6756 -12.6756 -11.2776 -11.2776 -11.2675 -11.2675 -10.7660 -10.7660 -10.6007 -10.6007 -8.9481 -8.9481 -8.6418 -8.6418 -2.2206 -2.2206 -1.8704 -1.8704 -1.7622 -1.7622 -1.2307 -1.2307 -0.9542 -0.9542 -0.7602 -0.7602 0.0637 0.0637 0.2145 0.2145 0.3686 0.3686 0.6779 0.6779 0.8536 0.8536 1.3332 1.3332 1.3674 1.3674 1.5071 1.5071 1.5631 1.5631 1.6485 1.6485 1.7321 1.7321 1.8428 1.8428 1.9467 1.9467 2.1110 2.1110 2.4321 2.4321 2.7418 2.7418 2.8372 2.8372 3.2155 3.2155 4.6230 4.6230 5.5517 5.5517 5.8978 5.8978 6.0613 6.0613 6.3584 6.3584 8.2255 8.2255 8.8871 8.8871 k =-0.0526-0.0041 0.0196 ( 14251 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8806 -12.8806 -12.6754 -12.6754 -11.2789 -11.2789 -11.2657 -11.2657 -10.7657 -10.7657 -10.6007 -10.6007 -8.9486 -8.9486 -8.6416 -8.6416 -2.2216 -2.2216 -1.8869 -1.8869 -1.7511 -1.7511 -1.2407 -1.2407 -0.9516 -0.9516 -0.7686 -0.7686 0.0601 0.0601 0.2106 0.2106 0.3694 0.3694 0.6805 0.6805 0.8587 0.8587 1.3250 1.3250 1.3681 1.3681 1.4968 1.4968 1.5649 1.5649 1.6418 1.6418 1.7366 1.7366 1.8491 1.8491 1.9527 1.9527 2.1178 2.1178 2.4362 2.4362 2.7351 2.7351 2.8456 2.8456 3.2095 3.2095 4.6268 4.6268 5.5533 5.5533 5.8875 5.8875 6.0545 6.0545 6.3480 6.3480 8.2484 8.2484 8.9018 8.9018 k =-0.0658-0.0052 0.0245 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8783 -12.8783 -12.6751 -12.6751 -11.2801 -11.2801 -11.2638 -11.2638 -10.7654 -10.7654 -10.6008 -10.6008 -8.9492 -8.9492 -8.6413 -8.6413 -2.2230 -2.2230 -1.9038 -1.9038 -1.7412 -1.7412 -1.2530 -1.2530 -0.9488 -0.9488 -0.7791 -0.7791 0.0548 0.0548 0.2066 0.2066 0.3706 0.3706 0.6838 0.6838 0.8652 0.8652 1.3140 1.3140 1.3681 1.3681 1.4858 1.4858 1.5657 1.5657 1.6349 1.6349 1.7422 1.7422 1.8567 1.8567 1.9598 1.9598 2.1256 2.1256 2.4418 2.4418 2.7277 2.7277 2.8552 2.8552 3.2020 3.2020 4.6318 4.6318 5.5549 5.5549 5.8748 5.8748 6.0458 6.0458 6.3349 6.3349 8.2776 8.2776 8.9203 8.9203 k =-0.0789-0.0062 0.0294 ( 14267 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8756 -12.8756 -12.6748 -12.6748 -11.2812 -11.2812 -11.2617 -11.2617 -10.7650 -10.7650 -10.6010 -10.6010 -8.9499 -8.9499 -8.6410 -8.6410 -2.2246 -2.2246 -1.9209 -1.9209 -1.7327 -1.7327 -1.2673 -1.2673 -0.9462 -0.9462 -0.7912 -0.7912 0.0473 0.0473 0.2034 0.2034 0.3721 0.3721 0.6879 0.6879 0.8730 0.8730 1.3001 1.3001 1.3665 1.3665 1.4749 1.4749 1.5655 1.5655 1.6284 1.6284 1.7492 1.7492 1.8653 1.8653 1.9679 1.9679 2.1340 2.1340 2.4489 2.4489 2.7199 2.7199 2.8659 2.8659 3.1931 3.1931 4.6382 4.6382 5.5561 5.5561 5.8600 5.8600 6.0351 6.0351 6.3192 6.3192 8.3126 8.3126 8.9427 8.9427 k =-0.0921-0.0072 0.0342 ( 14268 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8723 -12.8723 -12.6744 -12.6744 -11.2823 -11.2823 -11.2597 -11.2597 -10.7645 -10.7645 -10.6012 -10.6012 -8.9506 -8.9506 -8.6406 -8.6406 -2.2266 -2.2266 -1.9377 -1.9377 -1.7260 -1.7260 -1.2833 -1.2833 -0.9441 -0.9441 -0.8048 -0.8048 0.0373 0.0373 0.2014 0.2014 0.3742 0.3742 0.6927 0.6927 0.8818 0.8818 1.2834 1.2834 1.3630 1.3630 1.4644 1.4644 1.5644 1.5644 1.6229 1.6229 1.7577 1.7577 1.8745 1.8745 1.9768 1.9768 2.1425 2.1425 2.4575 2.4575 2.7122 2.7122 2.8773 2.8773 3.1829 3.1829 4.6461 4.6461 5.5566 5.5566 5.8436 5.8436 6.0225 6.0225 6.3010 6.3010 8.3532 8.3532 8.9685 8.9685 k =-0.1053-0.0083 0.0391 ( 14270 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8687 -12.8687 -12.6740 -12.6740 -11.2833 -11.2833 -11.2575 -11.2575 -10.7640 -10.7640 -10.6015 -10.6015 -8.9513 -8.9513 -8.6403 -8.6403 -2.2290 -2.2290 -1.9541 -1.9541 -1.7212 -1.7212 -1.3007 -1.3007 -0.9431 -0.9431 -0.8190 -0.8190 0.0244 0.0244 0.2012 0.2012 0.3770 0.3770 0.6982 0.6982 0.8915 0.8915 1.2639 1.2639 1.3571 1.3571 1.4544 1.4544 1.5624 1.5624 1.6189 1.6189 1.7678 1.7678 1.8839 1.8839 1.9865 1.9865 2.1505 2.1505 2.4674 2.4674 2.7050 2.7050 2.8891 2.8891 3.1717 3.1717 4.6556 4.6556 5.5558 5.5558 5.8262 5.8262 6.0079 6.0079 6.2806 6.2806 8.3990 8.3990 8.9977 8.9977 k =-0.1184-0.0093 0.0440 ( 14261 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8646 -12.8646 -12.6735 -12.6735 -11.2842 -11.2842 -11.2553 -11.2553 -10.7633 -10.7633 -10.6019 -10.6019 -8.9520 -8.9520 -8.6400 -8.6400 -2.2317 -2.2317 -1.9699 -1.9699 -1.7184 -1.7184 -1.3193 -1.3193 -0.9440 -0.9440 -0.8333 -0.8333 0.0088 0.0088 0.2030 0.2030 0.3807 0.3807 0.7043 0.7043 0.9015 0.9015 1.2418 1.2418 1.3491 1.3491 1.4449 1.4449 1.5593 1.5593 1.6168 1.6168 1.7794 1.7794 1.8933 1.8933 1.9968 1.9968 2.1577 2.1577 2.4784 2.4784 2.6990 2.6990 2.9010 2.9010 3.1597 3.1597 4.6668 4.6668 5.5530 5.5530 5.8084 5.8084 5.9915 5.9915 6.2582 6.2582 8.4496 8.4496 9.0298 9.0298 k =-0.1316-0.0104 0.0489 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8601 -12.8601 -12.6730 -12.6730 -11.2851 -11.2851 -11.2531 -11.2531 -10.7626 -10.7626 -10.6023 -10.6023 -8.9527 -8.9527 -8.6398 -8.6398 -2.2347 -2.2347 -1.9851 -1.9851 -1.7176 -1.7176 -1.3389 -1.3389 -0.9478 -0.9478 -0.8464 -0.8464 -0.0093 -0.0093 0.2068 0.2068 0.3854 0.3854 0.7111 0.7111 0.9113 0.9113 1.2178 1.2178 1.3396 1.3396 1.4355 1.4355 1.5550 1.5550 1.6168 1.6168 1.7923 1.7923 1.9026 1.9026 2.0076 2.0076 2.1638 2.1638 2.4898 2.4898 2.6950 2.6950 2.9126 2.9126 3.1472 3.1472 4.6798 4.6798 5.5476 5.5476 5.7911 5.7911 5.9732 5.9732 6.2339 6.2339 8.5046 8.5046 9.0646 9.0646 k =-0.1447-0.0114 0.0538 ( 14264 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8552 -12.8552 -12.6724 -12.6724 -11.2859 -11.2859 -11.2508 -11.2508 -10.7618 -10.7618 -10.6029 -10.6029 -8.9533 -8.9533 -8.6397 -8.6397 -2.2380 -2.2380 -1.9994 -1.9994 -1.7188 -1.7188 -1.3592 -1.3592 -0.9554 -0.9554 -0.8572 -0.8572 -0.0296 -0.0296 0.2125 0.2125 0.3914 0.3914 0.7182 0.7182 0.9201 0.9201 1.1927 1.1927 1.3291 1.3291 1.4259 1.4259 1.5497 1.5497 1.6188 1.6188 1.8061 1.8061 1.9117 1.9117 2.0190 2.0190 2.1687 2.1687 2.5009 2.5009 2.6936 2.6936 2.9235 2.9235 3.1348 3.1348 4.6947 4.6947 5.5387 5.5387 5.7750 5.7750 5.9532 5.9532 6.2082 6.2082 8.5634 8.5634 9.1016 9.1016 k =-0.1579-0.0124 0.0587 ( 14262 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8500 -12.8500 -12.6718 -12.6718 -11.2866 -11.2866 -11.2485 -11.2485 -10.7608 -10.7608 -10.6037 -10.6037 -8.9538 -8.9538 -8.6397 -8.6397 -2.2416 -2.2416 -2.0129 -2.0129 -1.7221 -1.7221 -1.3801 -1.3801 -0.9675 -0.9675 -0.8650 -0.8650 -0.0517 -0.0517 0.2201 0.2201 0.3985 0.3985 0.7257 0.7257 0.9268 0.9268 1.1678 1.1678 1.3181 1.3181 1.4164 1.4164 1.5433 1.5433 1.6222 1.6222 1.8206 1.8206 1.9205 1.9205 2.0308 2.0308 2.1723 2.1723 2.5108 2.5108 2.6958 2.6958 2.9333 2.9333 3.1230 3.1230 4.7114 4.7114 5.5259 5.5259 5.7607 5.7607 5.9315 5.9315 6.1810 6.1810 8.6254 8.6254 9.1403 9.1403 k =-0.1711-0.0135 0.0636 ( 14260 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8445 -12.8445 -12.6712 -12.6712 -11.2873 -11.2873 -11.2461 -11.2461 -10.7598 -10.7598 -10.6046 -10.6046 -8.9541 -8.9541 -8.6398 -8.6398 -2.2454 -2.2454 -2.0256 -2.0256 -1.7273 -1.7273 -1.4013 -1.4013 -0.9839 -0.9839 -0.8700 -0.8700 -0.0752 -0.0752 0.2293 0.2293 0.4068 0.4068 0.7333 0.7333 0.9299 0.9299 1.1446 1.1446 1.3071 1.3071 1.4070 1.4070 1.5362 1.5362 1.6266 1.6266 1.8351 1.8351 1.9289 1.9289 2.0433 2.0433 2.1746 2.1746 2.5187 2.5187 2.7021 2.7021 2.9414 2.9414 3.1124 3.1124 4.7301 4.7301 5.5088 5.5088 5.7486 5.7486 5.9082 5.9082 6.1528 6.1528 8.6900 8.6900 9.1801 9.1801 k =-0.1842-0.0145 0.0685 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8386 -12.8386 -12.6705 -12.6705 -11.2879 -11.2879 -11.2438 -11.2438 -10.7587 -10.7587 -10.6056 -10.6056 -8.9543 -8.9543 -8.6401 -8.6401 -2.2494 -2.2494 -2.0373 -2.0373 -1.7344 -1.7344 -1.4227 -1.4227 -1.0034 -1.0034 -0.8728 -0.8728 -0.0996 -0.0996 0.2399 0.2399 0.4161 0.4161 0.7409 0.7409 0.9277 0.9277 1.1252 1.1252 1.2962 1.2962 1.3982 1.3982 1.5286 1.5286 1.6315 1.6315 1.8491 1.8491 1.9370 1.9370 2.0565 2.0565 2.1758 2.1758 2.5243 2.5243 2.7124 2.7124 2.9472 2.9472 3.1039 3.1039 4.7506 4.7506 5.4875 5.4875 5.7387 5.7387 5.8836 5.8836 6.1238 6.1238 8.7565 8.7565 9.2204 9.2204 k =-0.1974-0.0155 0.0734 ( 14251 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8326 -12.8326 -12.6698 -12.6698 -11.2884 -11.2884 -11.2415 -11.2415 -10.7575 -10.7575 -10.6069 -10.6069 -8.9542 -8.9542 -8.6406 -8.6406 -2.2535 -2.2535 -2.0482 -2.0482 -1.7431 -1.7431 -1.4442 -1.4442 -1.0253 -1.0253 -0.8743 -0.8743 -0.1246 -0.1246 0.2518 0.2518 0.4265 0.4265 0.7479 0.7479 0.9189 0.9189 1.1111 1.1111 1.2857 1.2857 1.3903 1.3903 1.5208 1.5208 1.6367 1.6367 1.8622 1.8622 1.9445 1.9445 2.0702 2.0702 2.1762 2.1762 2.5276 2.5276 2.7262 2.7262 2.9503 2.9503 3.0983 3.0983 4.7728 4.7728 5.4627 5.4627 5.7305 5.7305 5.8577 5.8577 6.0940 6.0940 8.8241 8.8241 9.2605 9.2605 k =-0.2105-0.0166 0.0783 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8263 -12.8263 -12.6691 -12.6691 -11.2889 -11.2889 -11.2391 -11.2391 -10.7561 -10.7561 -10.6083 -10.6083 -8.9539 -8.9539 -8.6412 -8.6412 -2.2576 -2.2576 -2.0583 -2.0583 -1.7534 -1.7534 -1.4657 -1.4657 -1.0487 -1.0487 -0.8751 -0.8751 -0.1499 -0.1499 0.2648 0.2648 0.4376 0.4376 0.7535 0.7535 0.9040 0.9040 1.1027 1.1027 1.2757 1.2757 1.3838 1.3838 1.5129 1.5129 1.6419 1.6419 1.8738 1.8738 1.9517 1.9517 2.0841 2.0841 2.1764 2.1764 2.5292 2.5292 2.7423 2.7423 2.9511 2.9511 3.0959 3.0959 4.7967 4.7967 5.4348 5.4348 5.7234 5.7234 5.8309 5.8309 6.0639 6.0639 8.8917 8.8917 9.2995 9.2995 k =-0.2237-0.0176 0.0832 ( 14249 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8198 -12.8198 -12.6684 -12.6684 -11.2894 -11.2894 -11.2368 -11.2368 -10.7547 -10.7547 -10.6100 -10.6100 -8.9534 -8.9534 -8.6421 -8.6421 -2.2616 -2.2616 -2.0676 -2.0676 -1.7650 -1.7650 -1.4869 -1.4869 -1.0731 -1.0731 -0.8756 -0.8756 -0.1752 -0.1752 0.2785 0.2785 0.4493 0.4493 0.7563 0.7563 0.8856 0.8856 1.0986 1.0986 1.2664 1.2664 1.3790 1.3790 1.5052 1.5052 1.6470 1.6470 1.8837 1.8837 1.9583 1.9583 2.0970 2.0970 2.1775 2.1775 2.5293 2.5293 2.7593 2.7593 2.9502 2.9502 3.0967 3.0967 4.8219 4.8219 5.4046 5.4046 5.7168 5.7168 5.8035 5.8035 6.0336 6.0336 8.9582 8.9582 9.3364 9.3364 k =-0.2368-0.0186 0.0881 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8132 -12.8132 -12.6676 -12.6676 -11.2898 -11.2898 -11.2345 -11.2345 -10.7531 -10.7531 -10.6118 -10.6118 -8.9526 -8.9526 -8.6432 -8.6432 -2.2655 -2.2655 -2.0761 -2.0761 -1.7779 -1.7779 -1.5077 -1.5077 -1.0979 -1.0979 -0.8759 -0.8759 -0.2003 -0.2003 0.2929 0.2929 0.4613 0.4613 0.7536 0.7536 0.8683 0.8683 1.0971 1.0971 1.2579 1.2579 1.3761 1.3761 1.4982 1.4982 1.6520 1.6520 1.8915 1.8915 1.9646 1.9646 2.1071 2.1071 2.1815 2.1815 2.5282 2.5282 2.7756 2.7756 2.9495 2.9495 3.1001 3.1001 4.8482 4.8482 5.3729 5.3729 5.7098 5.7098 5.7761 5.7761 6.0032 6.0032 9.0225 9.0225 9.3703 9.3703 k =-0.2500-0.0197 0.0930 ( 14247 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.8065 -12.8065 -12.6669 -12.6669 -11.2902 -11.2902 -11.2323 -11.2323 -10.7514 -10.7514 -10.6139 -10.6139 -8.9515 -8.9515 -8.6445 -8.6445 -2.2690 -2.2690 -2.0840 -2.0840 -1.7918 -1.7918 -1.5281 -1.5281 -1.1230 -1.1230 -0.8762 -0.8762 -0.2249 -0.2249 0.3075 0.3075 0.4734 0.4734 0.7423 0.7423 0.8570 0.8570 1.0963 1.0963 1.2501 1.2501 1.3754 1.3754 1.4919 1.4919 1.6568 1.6568 1.8973 1.8973 1.9705 1.9705 2.1125 2.1125 2.1901 2.1901 2.5261 2.5261 2.7897 2.7897 2.9509 2.9509 3.1054 3.1054 4.8752 4.8752 5.3404 5.3404 5.7011 5.7011 5.7499 5.7499 5.9731 5.9731 9.0829 9.0829 9.4005 9.4005 k =-0.2632-0.0207 0.0979 ( 14237 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7998 -12.7998 -12.6661 -12.6661 -11.2905 -11.2905 -11.2300 -11.2300 -10.7496 -10.7496 -10.6163 -10.6163 -8.9501 -8.9501 -8.6461 -8.6461 -2.2722 -2.2722 -2.0913 -2.0913 -1.8065 -1.8065 -1.5480 -1.5480 -1.1480 -1.1480 -0.8764 -0.8764 -0.2489 -0.2489 0.3221 0.3221 0.4853 0.4853 0.7219 0.7219 0.8536 0.8536 1.0953 1.0953 1.2431 1.2431 1.3767 1.3767 1.4868 1.4868 1.6616 1.6616 1.9011 1.9011 1.9761 1.9761 2.1132 2.1132 2.2033 2.2033 2.5228 2.5228 2.8002 2.8002 2.9561 2.9561 3.1120 3.1120 4.9024 4.9024 5.3077 5.3077 5.6878 5.6878 5.7276 5.7276 5.9434 5.9434 9.1380 9.1380 9.4263 9.4263 k =-0.2763-0.0217 0.1027 ( 14237 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7930 -12.7930 -12.6654 -12.6654 -11.2908 -11.2908 -11.2279 -11.2279 -10.7476 -10.7476 -10.6188 -10.6188 -8.9484 -8.9484 -8.6479 -8.6479 -2.2749 -2.2749 -2.0981 -2.0981 -1.8220 -1.8220 -1.5671 -1.5671 -1.1727 -1.1727 -0.8766 -0.8766 -0.2722 -0.2722 0.3363 0.3363 0.4963 0.4963 0.6958 0.6958 0.8561 0.8561 1.0936 1.0936 1.2370 1.2370 1.3797 1.3797 1.4833 1.4833 1.6663 1.6663 1.9031 1.9031 1.9812 1.9812 2.1107 2.1107 2.2195 2.2195 2.5181 2.5181 2.8069 2.8069 2.9660 2.9660 3.1193 3.1193 4.9292 4.9292 5.2758 5.2758 5.6675 5.6675 5.7119 5.7119 5.9142 5.9142 9.1864 9.1864 9.4472 9.4472 k =-0.2895-0.0228 0.1076 ( 14236 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7863 -12.7863 -12.6646 -12.6646 -11.2911 -11.2911 -11.2258 -11.2258 -10.7455 -10.7455 -10.6217 -10.6217 -8.9464 -8.9464 -8.6499 -8.6499 -2.2771 -2.2771 -2.1043 -2.1043 -1.8380 -1.8380 -1.5856 -1.5856 -1.1970 -1.1970 -0.8767 -0.8767 -0.2947 -0.2947 0.3497 0.3497 0.5058 0.5058 0.6679 0.6679 0.8619 0.8619 1.0910 1.0910 1.2316 1.2316 1.3841 1.3841 1.4816 1.4816 1.6709 1.6709 1.9035 1.9035 1.9856 1.9856 2.1067 2.1067 2.2369 2.2369 2.5120 2.5120 2.8104 2.8104 2.9803 2.9803 3.1271 3.1271 4.9545 4.9545 5.2457 5.2457 5.6420 5.6420 5.7010 5.7010 5.8859 5.8859 9.2268 9.2268 9.4630 9.4630 k =-0.3026-0.0238 0.1125 ( 14236 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7797 -12.7797 -12.6639 -12.6639 -11.2913 -11.2913 -11.2238 -11.2238 -10.7432 -10.7432 -10.6247 -10.6247 -8.9442 -8.9442 -8.6521 -8.6521 -2.2788 -2.2788 -2.1101 -2.1101 -1.8544 -1.8544 -1.6032 -1.6032 -1.2206 -1.2206 -0.8767 -0.8767 -0.3162 -0.3162 0.3618 0.3618 0.5123 0.5123 0.6417 0.6417 0.8693 0.8693 1.0876 1.0876 1.2272 1.2272 1.3892 1.3892 1.4820 1.4820 1.6757 1.6757 1.9024 1.9024 1.9892 1.9892 2.1024 2.1024 2.2542 2.2542 2.5044 2.5044 2.8120 2.8120 2.9977 2.9977 3.1350 3.1350 4.9768 4.9768 5.2190 5.2190 5.6147 5.6147 5.6917 5.6917 5.8586 5.8586 9.2586 9.2586 9.4737 9.4737 k =-0.3158-0.0249 0.1174 ( 14230 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7732 -12.7732 -12.6633 -12.6633 -11.2916 -11.2916 -11.2219 -11.2219 -10.7408 -10.7408 -10.6280 -10.6280 -8.9417 -8.9417 -8.6545 -8.6545 -2.2799 -2.2799 -2.1154 -2.1154 -1.8710 -1.8710 -1.6200 -1.6200 -1.2435 -1.2435 -0.8765 -0.8765 -0.3368 -0.3368 0.3720 0.3720 0.5136 0.5136 0.6211 0.6211 0.8772 0.8772 1.0835 1.0835 1.2237 1.2237 1.3946 1.3946 1.4845 1.4845 1.6806 1.6806 1.9000 1.9000 1.9917 1.9917 2.0987 2.0987 2.2706 2.2706 2.4954 2.4954 2.8131 2.8131 3.0171 3.0171 3.1429 3.1429 4.9936 4.9936 5.1981 5.1981 5.5871 5.5871 5.6827 5.6827 5.8324 5.8324 9.2818 9.2818 9.4793 9.4793 k =-0.3289-0.0259 0.1223 ( 14234 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7669 -12.7669 -12.6626 -12.6626 -11.2918 -11.2918 -11.2201 -11.2201 -10.7382 -10.7382 -10.6314 -10.6314 -8.9390 -8.9390 -8.6571 -8.6571 -2.2803 -2.2803 -2.1202 -2.1202 -1.8877 -1.8877 -1.6357 -1.6357 -1.2654 -1.2654 -0.8761 -0.8761 -0.3563 -0.3563 0.3794 0.3794 0.5077 0.5077 0.6095 0.6095 0.8851 0.8851 1.0789 1.0789 1.2215 1.2215 1.4000 1.4000 1.4892 1.4892 1.6857 1.6857 1.8966 1.8966 1.9933 1.9933 2.0958 2.0958 2.2855 2.2855 2.4851 2.4851 2.8145 2.8145 3.0374 3.0374 3.1506 3.1506 5.0018 5.0018 5.1863 5.1863 5.5600 5.5600 5.6735 5.6735 5.8076 5.8076 9.2972 9.2972 9.4801 9.4801 k =-0.3421-0.0269 0.1272 ( 14227 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7608 -12.7608 -12.6620 -12.6620 -11.2919 -11.2919 -11.2183 -11.2183 -10.7355 -10.7355 -10.6351 -10.6351 -8.9361 -8.9361 -8.6598 -8.6598 -2.2803 -2.2803 -2.1246 -2.1246 -1.9045 -1.9045 -1.6505 -1.6505 -1.2862 -1.2862 -0.8754 -0.8754 -0.3747 -0.3747 0.3827 0.3827 0.4960 0.4960 0.6071 0.6071 0.8925 0.8925 1.0741 1.0741 1.2205 1.2205 1.4052 1.4052 1.4954 1.4954 1.6911 1.6911 1.8920 1.8920 1.9940 1.9940 2.0940 2.0940 2.2983 2.2983 2.4742 2.4742 2.8167 2.8167 3.0579 3.0579 3.1581 3.1581 4.9990 4.9990 5.1857 5.1857 5.5339 5.5339 5.6640 5.6640 5.7842 5.7842 9.3059 9.3059 9.4762 9.4762 k =-0.3553-0.0280 0.1321 ( 14221 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7550 -12.7550 -12.6615 -12.6615 -11.2921 -11.2921 -11.2167 -11.2167 -10.7326 -10.7326 -10.6390 -10.6390 -8.9331 -8.9331 -8.6627 -8.6627 -2.2796 -2.2796 -2.1284 -2.1284 -1.9210 -1.9210 -1.6643 -1.6643 -1.3059 -1.3059 -0.8744 -0.8744 -0.3919 -0.3919 0.3802 0.3802 0.4839 0.4839 0.6107 0.6107 0.8991 0.8991 1.0693 1.0693 1.2207 1.2207 1.4105 1.4105 1.5028 1.5028 1.6970 1.6970 1.8866 1.8866 1.9941 1.9941 2.0930 2.0930 2.3086 2.3086 2.4632 2.4632 2.8197 2.8197 3.0782 3.0782 3.1653 3.1653 4.9867 4.9867 5.1949 5.1949 5.5090 5.5090 5.6542 5.6542 5.7625 5.7625 9.3095 9.3095 9.4683 9.4683 k =-0.3684-0.0290 0.1370 ( 14227 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7495 -12.7495 -12.6610 -12.6610 -11.2922 -11.2922 -11.2152 -11.2152 -10.7296 -10.7296 -10.6430 -10.6430 -8.9300 -8.9300 -8.6655 -8.6655 -2.2785 -2.2785 -2.1317 -2.1317 -1.9373 -1.9373 -1.6770 -1.6770 -1.3242 -1.3242 -0.8732 -0.8732 -0.4080 -0.4080 0.3709 0.3709 0.4755 0.4755 0.6171 0.6171 0.9045 0.9045 1.0647 1.0647 1.2222 1.2222 1.4158 1.4158 1.5106 1.5106 1.7033 1.7033 1.8803 1.8803 1.9941 1.9941 2.0924 2.0924 2.3159 2.3159 2.4529 2.4529 2.8235 2.8235 3.0977 3.0977 3.1721 3.1721 4.9684 4.9684 5.2102 5.2102 5.4857 5.4857 5.6444 5.6444 5.7424 5.7424 9.3094 9.3094 9.4570 9.4570 k =-0.3816-0.0300 0.1419 ( 14218 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7443 -12.7443 -12.6605 -12.6605 -11.2923 -11.2923 -11.2138 -11.2138 -10.7264 -10.7264 -10.6472 -10.6472 -8.9269 -8.9269 -8.6684 -8.6684 -2.2769 -2.2769 -2.1343 -2.1343 -1.9532 -1.9532 -1.6885 -1.6885 -1.3411 -1.3411 -0.8717 -0.8717 -0.4229 -0.4229 0.3560 0.3560 0.4716 0.4716 0.6248 0.6248 0.9086 0.9086 1.0606 1.0606 1.2246 1.2246 1.4215 1.4215 1.5183 1.5183 1.7103 1.7103 1.8733 1.8733 1.9943 1.9943 2.0920 2.0920 2.3201 2.3201 2.4439 2.4439 2.8280 2.8280 3.1162 3.1162 3.1785 3.1785 4.9474 4.9474 5.2284 5.2284 5.4643 5.4643 5.6346 5.6346 5.7240 5.7240 9.3069 9.3069 9.4431 9.4431 k =-0.3947-0.0311 0.1468 ( 14222 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7396 -12.7396 -12.6602 -12.6602 -11.2924 -11.2924 -11.2126 -11.2126 -10.7230 -10.7230 -10.6514 -10.6514 -8.9238 -8.9238 -8.6713 -8.6713 -2.2751 -2.2751 -2.1362 -2.1362 -1.9686 -1.9686 -1.6990 -1.6990 -1.3564 -1.3564 -0.8699 -0.8699 -0.4365 -0.4365 0.3382 0.3382 0.4707 0.4707 0.6329 0.6329 0.9112 0.9112 1.0572 1.0572 1.2279 1.2279 1.4275 1.4275 1.5253 1.5253 1.7178 1.7178 1.8657 1.8657 1.9950 1.9950 2.0912 2.0912 2.3211 2.3211 2.4369 2.4369 2.8328 2.8328 3.1334 3.1334 3.1845 3.1845 4.9260 4.9260 5.2471 5.2471 5.4449 5.4449 5.6252 5.6252 5.7073 5.7073 9.3030 9.3030 9.4275 9.4275 k =-0.4079-0.0321 0.1517 ( 14217 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7353 -12.7353 -12.6598 -12.6598 -11.2925 -11.2925 -11.2115 -11.2115 -10.7196 -10.7196 -10.6558 -10.6558 -8.9208 -8.9208 -8.6740 -8.6740 -2.2730 -2.2730 -2.1374 -2.1374 -1.9833 -1.9833 -1.7082 -1.7082 -1.3702 -1.3702 -0.8681 -0.8681 -0.4487 -0.4487 0.3197 0.3197 0.4713 0.4713 0.6408 0.6408 0.9123 0.9123 1.0546 1.0546 1.2316 1.2316 1.4338 1.4338 1.5313 1.5313 1.7259 1.7259 1.8577 1.8577 1.9964 1.9964 2.0899 2.0899 2.3192 2.3192 2.4320 2.4320 2.8378 2.8378 3.1489 3.1489 3.1900 3.1900 4.9052 4.9052 5.2650 5.2650 5.4278 5.4278 5.6166 5.6166 5.6921 5.6921 9.2987 9.2987 9.4111 9.4111 k =-0.4211-0.0331 0.1566 ( 14213 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7315 -12.7315 -12.6596 -12.6596 -11.2926 -11.2926 -11.2105 -11.2105 -10.7160 -10.7160 -10.6602 -10.6602 -8.9180 -8.9180 -8.6765 -8.6765 -2.2709 -2.2709 -2.1378 -2.1378 -1.9971 -1.9971 -1.7163 -1.7163 -1.3822 -1.3822 -0.8661 -0.8661 -0.4596 -0.4596 0.3020 0.3020 0.4724 0.4724 0.6483 0.6483 0.9122 0.9122 1.0529 1.0529 1.2355 1.2355 1.4405 1.4405 1.5361 1.5361 1.7346 1.7346 1.8494 1.8494 1.9986 1.9986 2.0877 2.0877 2.3153 2.3153 2.4290 2.4290 2.8427 2.8427 3.1626 3.1626 3.1952 3.1952 4.8861 4.8861 5.2810 5.2810 5.4135 5.4135 5.6090 5.6090 5.6785 5.6785 9.2945 9.2945 9.3947 9.3947 k =-0.4342-0.0342 0.1615 ( 14202 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7282 -12.7282 -12.6593 -12.6593 -11.2926 -11.2926 -11.2097 -11.2097 -10.7123 -10.7123 -10.6645 -10.6645 -8.9155 -8.9155 -8.6789 -8.6789 -2.2689 -2.2689 -2.1375 -2.1375 -2.0098 -2.0098 -1.7232 -1.7232 -1.3925 -1.3925 -0.8642 -0.8642 -0.4690 -0.4690 0.2862 0.2862 0.4736 0.4736 0.6552 0.6552 0.9112 0.9112 1.0519 1.0519 1.2393 1.2393 1.4471 1.4471 1.5395 1.5395 1.7435 1.7435 1.8410 1.8410 2.0017 2.0017 2.0846 2.0846 2.3104 2.3104 2.4274 2.4274 2.8473 2.8473 3.1740 3.1740 3.2002 3.2002 4.8691 4.8691 5.2944 5.2944 5.4020 5.4020 5.6027 5.6027 5.6663 5.6663 9.2909 9.2909 9.3789 9.3789 k =-0.4474-0.0352 0.1663 ( 14203 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7254 -12.7254 -12.6592 -12.6592 -11.2927 -11.2927 -11.2090 -11.2090 -10.7086 -10.7086 -10.6689 -10.6689 -8.9133 -8.9133 -8.6809 -8.6809 -2.2671 -2.2671 -2.1366 -2.1366 -2.0211 -2.0211 -1.7288 -1.7288 -1.4011 -1.4011 -0.8624 -0.8624 -0.4768 -0.4768 0.2726 0.2726 0.4746 0.4746 0.6611 0.6611 0.9095 0.9095 1.0514 1.0514 1.2428 1.2428 1.4535 1.4535 1.5417 1.5417 1.7526 1.7526 1.8326 1.8326 2.0054 2.0054 2.0807 2.0807 2.3053 2.3053 2.4267 2.4267 2.8513 2.8513 3.1828 3.1828 3.2050 3.2050 4.8546 4.8546 5.3046 5.3046 5.3937 5.3937 5.5979 5.5979 5.6557 5.6557 9.2883 9.2883 9.3645 9.3645 k =-0.4605-0.0362 0.1712 ( 14204 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7232 -12.7232 -12.6591 -12.6591 -11.2927 -11.2927 -11.2085 -11.2085 -10.7050 -10.7050 -10.6730 -10.6730 -8.9115 -8.9115 -8.6825 -8.6825 -2.2655 -2.2655 -2.1352 -2.1352 -2.0308 -2.0308 -1.7332 -1.7332 -1.4077 -1.4077 -0.8609 -0.8609 -0.4830 -0.4830 0.2618 0.2618 0.4754 0.4754 0.6659 0.6659 0.9077 0.9077 1.0513 1.0513 1.2457 1.2457 1.4593 1.4593 1.5428 1.5428 1.7616 1.7616 1.8244 1.8244 2.0095 2.0095 2.0762 2.0762 2.3007 2.3007 2.4264 2.4264 2.8546 2.8546 3.1890 3.1890 3.2097 3.2097 4.8431 4.8431 5.3115 5.3115 5.3885 5.3885 5.5946 5.5946 5.6469 5.6469 9.2868 9.2868 9.3520 9.3520 k =-0.4737-0.0373 0.1761 ( 14202 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7216 -12.7216 -12.6590 -12.6590 -11.2927 -11.2927 -11.2081 -11.2081 -10.7016 -10.7016 -10.6767 -10.6767 -8.9102 -8.9102 -8.6837 -8.6837 -2.2643 -2.2643 -2.1337 -2.1337 -2.0383 -2.0383 -1.7364 -1.7364 -1.4125 -1.4125 -0.8598 -0.8598 -0.4875 -0.4875 0.2539 0.2539 0.4759 0.4759 0.6696 0.6696 0.9061 0.9061 1.0514 1.0514 1.2479 1.2479 1.4639 1.4639 1.5432 1.5432 1.7700 1.7700 1.8166 1.8166 2.0135 2.0135 2.0719 2.0719 2.2972 2.2972 2.4264 2.4264 2.8571 2.8571 3.1929 3.1929 3.2136 3.2136 4.8347 4.8347 5.3154 5.3154 5.3859 5.3859 5.5927 5.5927 5.6400 5.6400 9.2863 9.2863 9.3421 9.3421 k =-0.4868-0.0383 0.1810 ( 14206 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7207 -12.7207 -12.6589 -12.6589 -11.2928 -11.2928 -11.2079 -11.2079 -10.6989 -10.6989 -10.6796 -10.6796 -8.9094 -8.9094 -8.6844 -8.6844 -2.2636 -2.2636 -2.1326 -2.1326 -2.0430 -2.0430 -1.7383 -1.7383 -1.4154 -1.4154 -0.8590 -0.8590 -0.4902 -0.4902 0.2491 0.2491 0.4762 0.4762 0.6718 0.6718 0.9049 0.9049 1.0515 1.0515 1.2493 1.2493 1.4670 1.4670 1.5432 1.5432 1.7769 1.7769 1.8101 1.8101 2.0166 2.0166 2.0686 2.0686 2.2950 2.2950 2.4264 2.4264 2.8586 2.8586 3.1950 3.1950 3.2162 3.2162 4.8296 4.8296 5.3172 5.3172 5.3850 5.3850 5.5918 5.5918 5.6356 5.6356 9.2863 9.2863 9.3357 9.3357 k =-0.5000-0.0394 0.1859 ( 14206 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7204 -12.7204 -12.6589 -12.6589 -11.2928 -11.2928 -11.2078 -11.2078 -10.6978 -10.6978 -10.6808 -10.6808 -8.9091 -8.9091 -8.6847 -8.6847 -2.2634 -2.2634 -2.1321 -2.1321 -2.0447 -2.0447 -1.7389 -1.7389 -1.4163 -1.4163 -0.8588 -0.8588 -0.4911 -0.4911 0.2474 0.2474 0.4763 0.4763 0.6725 0.6725 0.9046 0.9046 1.0516 1.0516 1.2497 1.2497 1.4680 1.4680 1.5432 1.5432 1.7799 1.7799 1.8073 1.8073 2.0178 2.0178 2.0673 2.0673 2.2943 2.2943 2.4264 2.4264 2.8591 2.8591 3.1957 3.1957 3.2171 3.2171 4.8279 4.8279 5.3177 5.3177 5.3848 5.3848 5.5916 5.5916 5.6340 5.6340 9.2864 9.2864 9.3335 9.3335 k =-0.5000-0.3537 0.0943 ( 14202 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.6917 -12.6917 -12.6802 -12.6802 -11.3074 -11.3074 -11.2094 -11.2094 -10.7270 -10.7270 -10.6350 -10.6350 -8.9209 -8.9209 -8.7085 -8.7085 -2.2331 -2.2331 -2.1776 -2.1776 -1.7800 -1.7800 -1.4248 -1.4248 -1.3642 -1.3642 -0.9434 -0.9434 -0.8533 -0.8533 0.1984 0.1984 0.4669 0.4669 0.7087 0.7087 0.8537 0.8537 1.0913 1.0913 1.2612 1.2612 1.4692 1.4692 1.5392 1.5392 1.5962 1.5962 1.8788 1.8788 1.9193 1.9193 2.0701 2.0701 2.1845 2.1845 2.5557 2.5557 2.6865 2.6865 2.7409 2.7409 3.1395 3.1395 5.0620 5.0620 5.0717 5.0717 5.7431 5.7431 5.9965 5.9965 6.2153 6.2153 9.0334 9.0334 9.5679 9.5679 k =-0.4884-0.3454 0.0921 ( 14203 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.6922 -12.6922 -12.6798 -12.6798 -11.3075 -11.3075 -11.2094 -11.2094 -10.7274 -10.7274 -10.6346 -10.6346 -8.9209 -8.9209 -8.7084 -8.7084 -2.2331 -2.2331 -2.1773 -2.1773 -1.7800 -1.7800 -1.4250 -1.4250 -1.3629 -1.3629 -0.9456 -0.9456 -0.8487 -0.8487 0.1988 0.1988 0.4664 0.4664 0.7077 0.7077 0.8533 0.8533 1.0835 1.0835 1.2665 1.2665 1.4703 1.4703 1.5395 1.5395 1.5971 1.5971 1.8761 1.8761 1.9225 1.9225 2.0703 2.0703 2.1848 2.1848 2.5543 2.5543 2.6834 2.6834 2.7446 2.7446 3.1387 3.1387 5.0503 5.0503 5.0859 5.0859 5.7433 5.7433 5.9963 5.9963 6.2153 6.2153 9.0342 9.0342 9.5673 9.5673 k =-0.4767-0.3372 0.0899 ( 14214 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.6938 -12.6938 -12.6790 -12.6790 -11.3077 -11.3077 -11.2095 -11.2095 -10.7285 -10.7285 -10.6334 -10.6334 -8.9208 -8.9208 -8.7083 -8.7083 -2.2330 -2.2330 -2.1764 -2.1764 -1.7799 -1.7799 -1.4255 -1.4255 -1.3593 -1.3593 -0.9511 -0.9511 -0.8362 -0.8362 0.1999 0.1999 0.4649 0.4649 0.7047 0.7047 0.8523 0.8523 1.0633 1.0633 1.2793 1.2793 1.4732 1.4732 1.5405 1.5405 1.6000 1.6000 1.8701 1.8701 1.9303 1.9303 2.0708 2.0708 2.1858 2.1858 2.5503 2.5503 2.6762 2.6762 2.7535 2.7535 3.1364 3.1364 5.0375 5.0375 5.1061 5.1061 5.7439 5.7439 5.9958 5.9958 6.2153 6.2153 9.0366 9.0366 9.5656 9.5656 k =-0.4651-0.3290 0.0877 ( 14218 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.6961 -12.6961 -12.6779 -12.6779 -11.3080 -11.3080 -11.2096 -11.2096 -10.7303 -10.7303 -10.6315 -10.6315 -8.9207 -8.9207 -8.7082 -8.7082 -2.2329 -2.2329 -2.1749 -2.1749 -1.7798 -1.7798 -1.4261 -1.4261 -1.3535 -1.3535 -0.9572 -0.9572 -0.8184 -0.8184 0.2019 0.2019 0.4625 0.4625 0.6995 0.6995 0.8504 0.8504 1.0366 1.0366 1.2946 1.2946 1.4762 1.4762 1.5425 1.5425 1.6056 1.6056 1.8636 1.8636 1.9396 1.9396 2.0718 2.0718 2.1873 2.1873 2.5438 2.5438 2.6680 2.6680 2.7646 2.7646 3.1326 3.1326 5.0273 5.0273 5.1284 5.1284 5.7448 5.7448 5.9948 5.9948 6.2153 6.2153 9.0406 9.0406 9.5627 9.5627 k =-0.4535-0.3208 0.0855 ( 14221 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.6990 -12.6990 -12.6768 -12.6768 -11.3083 -11.3083 -11.2097 -11.2097 -10.7326 -10.7326 -10.6290 -10.6290 -8.9205 -8.9205 -8.7079 -8.7079 -2.2327 -2.2327 -2.1729 -2.1729 -1.7796 -1.7796 -1.4265 -1.4265 -1.3461 -1.3461 -0.9623 -0.9623 -0.7971 -0.7971 0.2045 0.2045 0.4593 0.4593 0.6919 0.6919 0.8478 0.8478 1.0079 1.0079 1.3092 1.3092 1.4774 1.4774 1.5457 1.5457 1.6146 1.6146 1.8580 1.8580 1.9490 1.9490 2.0732 2.0732 2.1894 2.1894 2.5353 2.5353 2.6606 2.6606 2.7760 2.7760 3.1274 3.1274 5.0198 5.0198 5.1522 5.1522 5.7462 5.7462 5.9934 5.9934 6.2153 6.2153 9.0461 9.0461 9.5587 9.5587 k =-0.4419-0.3125 0.0834 ( 14222 PWs) bands (ev): -80.4323 -80.4323 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7022 -12.7022 -12.6758 -12.6758 -11.3088 -11.3088 -11.2100 -11.2100 -10.7353 -10.7353 -10.6261 -10.6261 -8.9202 -8.9202 -8.7076 -8.7076 -2.2324 -2.2324 -2.1703 -2.1703 -1.7794 -1.7794 -1.4266 -1.4266 -1.3372 -1.3372 -0.9651 -0.9651 -0.7735 -0.7735 0.2077 0.2077 0.4554 0.4554 0.6816 0.6816 0.8441 0.8441 0.9804 0.9804 1.3217 1.3217 1.4753 1.4753 1.5498 1.5498 1.6274 1.6274 1.8537 1.8537 1.9578 1.9578 2.0751 2.0751 2.1917 2.1917 2.5253 2.5253 2.6547 2.6547 2.7870 2.7870 3.1209 3.1209 5.0151 5.0151 5.1771 5.1771 5.7480 5.7480 5.9915 5.9915 6.2155 6.2155 9.0533 9.0533 9.5536 9.5536 k =-0.4302-0.3043 0.0812 ( 14234 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7059 -12.7059 -12.6748 -12.6748 -11.3093 -11.3093 -11.2103 -11.2103 -10.7382 -10.7382 -10.6229 -10.6229 -8.9199 -8.9199 -8.7072 -8.7072 -2.2320 -2.2320 -2.1672 -2.1672 -1.7791 -1.7791 -1.4262 -1.4262 -1.3273 -1.3273 -0.9651 -0.9651 -0.7484 -0.7484 0.2114 0.2114 0.4509 0.4509 0.6685 0.6685 0.8388 0.8388 0.9565 0.9565 1.3316 1.3316 1.4699 1.4699 1.5546 1.5546 1.6433 1.6433 1.8507 1.8507 1.9657 1.9657 2.0774 2.0774 2.1941 2.1941 2.5148 2.5148 2.6504 2.6504 2.7970 2.7970 3.1131 3.1131 5.0130 5.0130 5.2026 5.2026 5.7502 5.7502 5.9891 5.9891 6.2158 6.2158 9.0620 9.0620 9.5473 9.5473 k =-0.4186-0.2961 0.0790 ( 14234 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7098 -12.7098 -12.6740 -12.6740 -11.3099 -11.3099 -11.2108 -11.2108 -10.7413 -10.7413 -10.6194 -10.6194 -8.9196 -8.9196 -8.7067 -8.7067 -2.2316 -2.2316 -2.1636 -2.1636 -1.7788 -1.7788 -1.4254 -1.4254 -1.3166 -1.3166 -0.9620 -0.9620 -0.7223 -0.7223 0.2155 0.2155 0.4460 0.4460 0.6529 0.6529 0.8318 0.8318 0.9377 0.9377 1.3390 1.3390 1.4615 1.4615 1.5601 1.5601 1.6608 1.6608 1.8488 1.8488 1.9728 1.9728 2.0800 2.0800 2.1963 2.1963 2.5046 2.5046 2.6479 2.6479 2.8059 2.8059 3.1042 3.1042 5.0132 5.0132 5.2285 5.2285 5.7530 5.7530 5.9860 5.9860 6.2164 6.2164 9.0723 9.0723 9.5400 9.5400 k =-0.4070-0.2879 0.0768 ( 14243 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7141 -12.7141 -12.6733 -12.6733 -11.3105 -11.3105 -11.2113 -11.2113 -10.7445 -10.7445 -10.6159 -10.6159 -8.9192 -8.9192 -8.7062 -8.7062 -2.2310 -2.2310 -2.1595 -2.1595 -1.7783 -1.7783 -1.4241 -1.4241 -1.3053 -1.3053 -0.9556 -0.9556 -0.6957 -0.6957 0.2198 0.2198 0.4410 0.4410 0.6350 0.6350 0.8228 0.8228 0.9249 0.9249 1.3434 1.3434 1.4512 1.4512 1.5667 1.5667 1.6782 1.6782 1.8474 1.8474 1.9792 1.9792 2.0828 2.0828 2.1980 2.1980 2.4954 2.4954 2.6471 2.6471 2.8135 2.8135 3.0944 3.0944 5.0154 5.0154 5.2542 5.2542 5.7564 5.7564 5.9823 5.9823 6.2174 6.2174 9.0842 9.0842 9.5317 9.5317 k =-0.3953-0.2796 0.0746 ( 14237 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7187 -12.7187 -12.6727 -12.6727 -11.3110 -11.3110 -11.2120 -11.2120 -10.7476 -10.7476 -10.6124 -10.6124 -8.9188 -8.9188 -8.7056 -8.7056 -2.2302 -2.2302 -2.1550 -2.1550 -1.7779 -1.7779 -1.4222 -1.4222 -1.2935 -1.2935 -0.9458 -0.9458 -0.6690 -0.6690 0.2241 0.2241 0.4360 0.4360 0.6158 0.6158 0.8125 0.8125 0.9174 0.9174 1.3447 1.3447 1.4403 1.4403 1.5746 1.5746 1.6943 1.6943 1.8461 1.8461 1.9851 1.9851 2.0858 2.0858 2.1988 2.1988 2.4877 2.4877 2.6479 2.6479 2.8200 2.8200 3.0837 3.0837 5.0189 5.0189 5.2795 5.2795 5.7603 5.7603 5.9778 5.9778 6.2187 6.2187 9.0975 9.0975 9.5224 9.5224 k =-0.3837-0.2714 0.0724 ( 14233 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7235 -12.7235 -12.6722 -12.6722 -11.3115 -11.3115 -11.2128 -11.2128 -10.7506 -10.7506 -10.6090 -10.6090 -8.9184 -8.9184 -8.7048 -8.7048 -2.2294 -2.2294 -2.1499 -2.1499 -1.7773 -1.7773 -1.4198 -1.4198 -1.2813 -1.2813 -0.9329 -0.9329 -0.6427 -0.6427 0.2283 0.2283 0.4314 0.4314 0.5963 0.5963 0.8018 0.8018 0.9144 0.9144 1.3422 1.3422 1.4301 1.4301 1.5836 1.5836 1.7079 1.7079 1.8446 1.8446 1.9905 1.9905 2.0889 2.0889 2.1986 2.1986 2.4820 2.4820 2.6503 2.6503 2.8253 2.8253 3.0724 3.0724 5.0234 5.0234 5.3042 5.3042 5.7648 5.7648 5.9727 5.9727 6.2205 6.2205 9.1123 9.1123 9.5123 9.5123 k =-0.3721-0.2632 0.0702 ( 14230 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4914 -44.4914 -12.7287 -12.7287 -12.6718 -12.6718 -11.3120 -11.3120 -11.2138 -11.2138 -10.7534 -10.7534 -10.6058 -10.6058 -8.9180 -8.9180 -8.7040 -8.7040 -2.2284 -2.2284 -2.1444 -2.1444 -1.7766 -1.7766 -1.4170 -1.4170 -1.2687 -1.2687 -0.9172 -0.9172 -0.6170 -0.6170 0.2320 0.2320 0.4273 0.4273 0.5774 0.5774 0.7916 0.7916 0.9144 0.9144 1.3354 1.3354 1.4219 1.4219 1.5938 1.5938 1.7185 1.7185 1.8427 1.8427 1.9956 1.9956 2.0919 2.0919 2.1973 2.1973 2.4784 2.4784 2.6541 2.6541 2.8296 2.8296 3.0605 3.0605 5.0281 5.0281 5.3282 5.3282 5.7699 5.7699 5.9668 5.9668 6.2228 6.2228 9.1285 9.1285 9.5013 9.5013 k =-0.3605-0.2550 0.0680 ( 14243 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7341 -12.7341 -12.6715 -12.6715 -11.3124 -11.3124 -11.2149 -11.2149 -10.7561 -10.7561 -10.6028 -10.6028 -8.9176 -8.9176 -8.7031 -8.7031 -2.2274 -2.2274 -2.1385 -2.1385 -1.7759 -1.7759 -1.4137 -1.4137 -1.2556 -1.2556 -0.8991 -0.8991 -0.5921 -0.5921 0.2350 0.2350 0.4243 0.4243 0.5600 0.5600 0.7826 0.7826 0.9168 0.9168 1.3244 1.3244 1.4161 1.4161 1.6046 1.6046 1.7255 1.7255 1.8407 1.8407 2.0002 2.0002 2.0947 2.0947 2.1952 2.1952 2.4765 2.4765 2.6590 2.6590 2.8332 2.8332 3.0483 3.0483 5.0324 5.0324 5.3513 5.3513 5.7756 5.7756 5.9602 5.9602 6.2256 6.2256 9.1460 9.1460 9.4896 9.4896 k =-0.3488-0.2467 0.0658 ( 14243 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7397 -12.7397 -12.6714 -12.6714 -11.3126 -11.3126 -11.2162 -11.2162 -10.7585 -10.7585 -10.5999 -10.5999 -8.9172 -8.9172 -8.7021 -8.7021 -2.2263 -2.2263 -2.1321 -2.1321 -1.7751 -1.7751 -1.4100 -1.4100 -1.2422 -1.2422 -0.8793 -0.8793 -0.5681 -0.5681 0.2371 0.2371 0.4228 0.4228 0.5448 0.5448 0.7750 0.7750 0.9209 0.9209 1.3101 1.3101 1.4124 1.4124 1.6158 1.6158 1.7289 1.7289 1.8388 1.8388 2.0043 2.0043 2.0968 2.0968 2.1927 2.1927 2.4762 2.4762 2.6646 2.6646 2.8364 2.8364 3.0359 3.0359 5.0357 5.0357 5.3737 5.3737 5.7818 5.7818 5.9530 5.9530 6.2290 6.2290 9.1646 9.1646 9.4769 9.4769 k =-0.3372-0.2385 0.0636 ( 14246 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7456 -12.7456 -12.6712 -12.6712 -11.3127 -11.3127 -11.2177 -11.2177 -10.7606 -10.7606 -10.5974 -10.5974 -8.9169 -8.9169 -8.7009 -8.7009 -2.2251 -2.2251 -2.1253 -2.1253 -1.7742 -1.7742 -1.4058 -1.4058 -1.2282 -1.2282 -0.8585 -0.8585 -0.5450 -0.5450 0.2378 0.2378 0.4230 0.4230 0.5323 0.5323 0.7692 0.7692 0.9262 0.9262 1.2939 1.2939 1.4100 1.4100 1.6267 1.6267 1.7289 1.7289 1.8376 1.8376 2.0075 2.0075 2.0978 2.0978 2.1907 2.1907 2.4771 2.4771 2.6705 2.6705 2.8394 2.8394 3.0237 3.0237 5.0371 5.0371 5.3954 5.3954 5.7884 5.7884 5.9454 5.9454 6.2328 6.2328 9.1842 9.1842 9.4633 9.4633 k =-0.3256-0.2303 0.0614 ( 14254 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7516 -12.7516 -12.6712 -12.6712 -11.3127 -11.3127 -11.2193 -11.2193 -10.7626 -10.7626 -10.5952 -10.5952 -8.9166 -8.9166 -8.6997 -8.6997 -2.2238 -2.2238 -2.1181 -2.1181 -1.7733 -1.7733 -1.4012 -1.4012 -1.2136 -1.2136 -0.8375 -0.8375 -0.5223 -0.5223 0.2371 0.2371 0.4248 0.4248 0.5231 0.5231 0.7654 0.7654 0.9326 0.9326 1.2769 1.2769 1.4084 1.4084 1.6366 1.6366 1.7262 1.7262 1.8373 1.8373 2.0094 2.0094 2.0974 2.0974 2.1897 2.1897 2.4788 2.4788 2.6760 2.6760 2.8425 2.8425 3.0119 3.0119 5.0362 5.0362 5.4166 5.4166 5.7953 5.7953 5.9376 5.9376 6.2371 6.2371 9.2043 9.2043 9.4485 9.4485 k =-0.3140-0.2221 0.0592 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7578 -12.7578 -12.6712 -12.6712 -11.3125 -11.3125 -11.2211 -11.2211 -10.7642 -10.7642 -10.5932 -10.5932 -8.9165 -8.9165 -8.6983 -8.6983 -2.2225 -2.2225 -2.1104 -2.1104 -1.7722 -1.7722 -1.3962 -1.3962 -1.1984 -1.1984 -0.8174 -0.8174 -0.4998 -0.4998 0.2349 0.2349 0.4276 0.4276 0.5180 0.5180 0.7637 0.7637 0.9397 0.9397 1.2598 1.2598 1.4068 1.4068 1.6444 1.6444 1.7221 1.7221 1.8381 1.8381 2.0095 2.0095 2.0956 2.0956 2.1900 2.1900 2.4809 2.4809 2.6806 2.6806 2.8461 2.8461 3.0008 3.0008 5.0324 5.0324 5.4374 5.4374 5.8022 5.8022 5.9298 5.9298 6.2419 6.2419 9.2244 9.2244 9.4323 9.4323 k =-0.3023-0.2138 0.0570 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7642 -12.7642 -12.6713 -12.6713 -11.3122 -11.3122 -11.2230 -11.2230 -10.7656 -10.7656 -10.5916 -10.5916 -8.9164 -8.9164 -8.6967 -8.6967 -2.2213 -2.2213 -2.1024 -2.1024 -1.7711 -1.7711 -1.3907 -1.3907 -1.1827 -1.1827 -0.7991 -0.7991 -0.4766 -0.4766 0.2313 0.2313 0.4297 0.4297 0.5185 0.5185 0.7640 0.7640 0.9475 0.9475 1.2436 1.2436 1.4051 1.4051 1.6491 1.6491 1.7180 1.7180 1.8400 1.8400 2.0071 2.0071 2.0932 2.0932 2.1915 2.1915 2.4831 2.4831 2.6840 2.6840 2.8502 2.8502 2.9909 2.9909 5.0254 5.0254 5.4581 5.4581 5.8087 5.8087 5.9226 5.9226 6.2471 6.2471 9.2437 9.2437 9.4145 9.4145 k =-0.2907-0.2056 0.0548 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7707 -12.7707 -12.6714 -12.6714 -11.3117 -11.3117 -11.2250 -11.2250 -10.7667 -10.7667 -10.5903 -10.5903 -8.9165 -8.9165 -8.6950 -8.6950 -2.2200 -2.2200 -2.0939 -2.0939 -1.7699 -1.7699 -1.3848 -1.3848 -1.1663 -1.1663 -0.7834 -0.7834 -0.4523 -0.4523 0.2268 0.2268 0.4292 0.4292 0.5261 0.5261 0.7661 0.7661 0.9559 0.9559 1.2288 1.2288 1.4027 1.4027 1.6498 1.6498 1.7155 1.7155 1.8430 1.8430 2.0022 2.0022 2.0905 2.0905 2.1938 2.1938 2.4851 2.4851 2.6858 2.6858 2.8549 2.8549 2.9827 2.9827 5.0150 5.0150 5.4785 5.4785 5.8143 5.8143 5.9164 5.9164 6.2527 6.2527 9.2609 9.2609 9.3951 9.3951 k =-0.2791-0.1974 0.0526 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7773 -12.7773 -12.6716 -12.6716 -11.3110 -11.3110 -11.2271 -11.2271 -10.7676 -10.7676 -10.5893 -10.5893 -8.9167 -8.9167 -8.6932 -8.6932 -2.2188 -2.2188 -2.0851 -2.0851 -1.7687 -1.7687 -1.3784 -1.3784 -1.1494 -1.1494 -0.7709 -0.7709 -0.4263 -0.4263 0.2216 0.2216 0.4256 0.4256 0.5406 0.5406 0.7697 0.7697 0.9647 0.9647 1.2159 1.2159 1.3996 1.3996 1.6467 1.6467 1.7147 1.7147 1.8466 1.8466 1.9950 1.9950 2.0880 2.0880 2.1960 2.1960 2.4866 2.4866 2.6860 2.6860 2.8599 2.8599 2.9766 2.9766 5.0011 5.0011 5.4987 5.4987 5.8184 5.8184 5.9122 5.9122 6.2585 6.2585 9.2739 9.2739 9.3743 9.3743 k =-0.2674-0.1892 0.0505 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7840 -12.7840 -12.6717 -12.6717 -11.3101 -11.3101 -11.2294 -11.2294 -10.7683 -10.7683 -10.5886 -10.5886 -8.9171 -8.9171 -8.6912 -8.6912 -2.2177 -2.2177 -2.0759 -2.0759 -1.7674 -1.7674 -1.3717 -1.3717 -1.1320 -1.1320 -0.7620 -0.7620 -0.3984 -0.3984 0.2162 0.2162 0.4193 0.4193 0.5609 0.5609 0.7744 0.7744 0.9742 0.9742 1.2055 1.2055 1.3955 1.3955 1.6409 1.6409 1.7150 1.7150 1.8506 1.8506 1.9865 1.9865 2.0857 2.0857 2.1977 2.1977 2.4874 2.4874 2.6846 2.6846 2.8650 2.8650 2.9732 2.9732 4.9840 4.9840 5.5186 5.5186 5.8201 5.8201 5.9108 5.9108 6.2647 6.2647 9.2791 9.2791 9.3540 9.3540 k =-0.2558-0.1809 0.0483 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7906 -12.7906 -12.6719 -12.6719 -11.3090 -11.3090 -11.2318 -11.2318 -10.7687 -10.7687 -10.5881 -10.5881 -8.9176 -8.9176 -8.6890 -8.6890 -2.2167 -2.2167 -2.0662 -2.0662 -1.7662 -1.7662 -1.3645 -1.3645 -1.1143 -1.1143 -0.7565 -0.7565 -0.3686 -0.3686 0.2109 0.2109 0.4114 0.4114 0.5854 0.5854 0.7797 0.7797 0.9844 0.9844 1.1981 1.1981 1.3902 1.3902 1.6339 1.6339 1.7153 1.7153 1.8540 1.8540 1.9777 1.9777 2.0833 2.0833 2.1981 2.1981 2.4876 2.4876 2.6820 2.6820 2.8699 2.8699 2.9729 2.9729 4.9638 4.9638 5.5381 5.5381 5.8190 5.8190 5.9127 5.9127 6.2711 6.2711 9.2710 9.2710 9.3376 9.3376 k =-0.2442-0.1727 0.0461 ( 14250 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0818 -45.0818 -44.4913 -44.4913 -12.7973 -12.7973 -12.6722 -12.6722 -11.3078 -11.3078 -11.2342 -11.2342 -10.7690 -10.7690 -10.5880 -10.5880 -8.9184 -8.9184 -8.6867 -8.6867 -2.2158 -2.2158 -2.0562 -2.0562 -1.7649 -1.7649 -1.3569 -1.3569 -1.0963 -1.0963 -0.7542 -0.7542 -0.3372 -0.3372 0.2059 0.2059 0.4025 0.4025 0.6125 0.6125 0.7852 0.7852 0.9958 0.9958 1.1937 1.1937 1.3837 1.3837 1.6268 1.6268 1.7150 1.7150 1.8561 1.8561 1.9700 1.9700 2.0807 2.0807 2.1968 2.1968 2.4871 2.4871 2.6785 2.6785 2.8742 2.8742 2.9759 2.9759 4.9411 4.9411 5.5569 5.5569 5.8154 5.8154 5.9177 5.9177 6.2776 6.2776 9.2473 9.2473 9.3252 9.3252 k =-0.2326-0.1645 0.0439 ( 14251 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8040 -12.8040 -12.6724 -12.6724 -11.3064 -11.3064 -11.2367 -11.2367 -10.7691 -10.7691 -10.5881 -10.5881 -8.9193 -8.9193 -8.6843 -8.6843 -2.2150 -2.2150 -2.0459 -2.0459 -1.7636 -1.7636 -1.3490 -1.3490 -1.0783 -1.0783 -0.7546 -0.7546 -0.3048 -0.3048 0.2015 0.2015 0.3931 0.3931 0.6406 0.6406 0.7905 0.7905 1.0087 1.0087 1.1924 1.1924 1.3761 1.3761 1.6201 1.6201 1.7136 1.7136 1.8559 1.8559 1.9642 1.9642 2.0779 2.0779 2.1934 2.1934 2.4861 2.4861 2.6744 2.6744 2.8779 2.8779 2.9822 2.9822 4.9163 4.9163 5.5747 5.5747 5.8103 5.8103 5.9253 5.9253 6.2843 6.2843 9.2121 9.2121 9.3116 9.3116 k =-0.2209-0.1563 0.0417 ( 14256 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8105 -12.8105 -12.6727 -12.6727 -11.3048 -11.3048 -11.2392 -11.2392 -10.7691 -10.7691 -10.5884 -10.5884 -8.9204 -8.9204 -8.6817 -8.6817 -2.2144 -2.2144 -2.0352 -2.0352 -1.7624 -1.7624 -1.3409 -1.3409 -1.0604 -1.0604 -0.7570 -0.7570 -0.2719 -0.2719 0.1979 0.1979 0.3837 0.3837 0.6682 0.6682 0.7962 0.7962 1.0238 1.0238 1.1939 1.1939 1.3678 1.3678 1.6141 1.6141 1.7110 1.7110 1.8532 1.8532 1.9608 1.9608 2.0748 2.0748 2.1874 2.1874 2.4846 2.4846 2.6702 2.6702 2.8809 2.8809 2.9915 2.9915 4.8899 4.8899 5.5910 5.5910 5.8046 5.8046 5.9345 5.9345 6.2911 6.2911 9.1686 9.1686 9.2929 9.2929 k =-0.2093-0.1480 0.0395 ( 14265 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8170 -12.8170 -12.6729 -12.6729 -11.3031 -11.3031 -11.2418 -11.2418 -10.7689 -10.7689 -10.5889 -10.5889 -8.9217 -8.9217 -8.6790 -8.6790 -2.2139 -2.2139 -2.0241 -2.0241 -1.7613 -1.7613 -1.3324 -1.3324 -1.0428 -1.0428 -0.7608 -0.7608 -0.2390 -0.2390 0.1950 0.1950 0.3747 0.3747 0.6927 0.6927 0.8035 0.8035 1.0412 1.0412 1.1976 1.1976 1.3594 1.3594 1.6087 1.6087 1.7073 1.7073 1.8484 1.8484 1.9591 1.9591 2.0716 2.0716 2.1791 2.1791 2.4827 2.4827 2.6664 2.6664 2.8834 2.8834 3.0032 3.0032 4.8626 4.8626 5.6053 5.6053 5.7995 5.7995 5.9448 5.9448 6.2978 6.2978 9.1182 9.1182 9.2686 9.2686 k =-0.1977-0.1398 0.0373 ( 14265 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8234 -12.8234 -12.6732 -12.6732 -11.3012 -11.3012 -11.2444 -11.2444 -10.7687 -10.7687 -10.5895 -10.5895 -8.9231 -8.9231 -8.6762 -8.6762 -2.2136 -2.2136 -2.0128 -2.0128 -1.7603 -1.7603 -1.3237 -1.3237 -1.0258 -1.0258 -0.7656 -0.7656 -0.2067 -0.2067 0.1929 0.1929 0.3663 0.3663 0.7112 0.7112 0.8147 0.8147 1.0610 1.0610 1.2031 1.2031 1.3518 1.3518 1.6037 1.6037 1.7024 1.7024 1.8421 1.8421 1.9579 1.9579 2.0687 2.0687 2.1688 2.1688 2.4802 2.4802 2.6636 2.6636 2.8853 2.8853 3.0169 3.0169 4.8349 4.8349 5.6168 5.6168 5.7959 5.7959 5.9557 5.9557 6.3046 6.3046 9.0616 9.0616 9.2399 9.2399 k =-0.1860-0.1316 0.0351 ( 14272 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8296 -12.8296 -12.6735 -12.6735 -11.2992 -11.2992 -11.2469 -11.2469 -10.7684 -10.7684 -10.5903 -10.5903 -8.9247 -8.9247 -8.6734 -8.6734 -2.2135 -2.2135 -2.0012 -2.0012 -1.7594 -1.7594 -1.3149 -1.3149 -1.0096 -1.0096 -0.7707 -0.7707 -0.1753 -0.1753 0.1917 0.1917 0.3588 0.3588 0.7216 0.7216 0.8314 0.8314 1.0827 1.0827 1.2095 1.2095 1.3459 1.3459 1.5987 1.5987 1.6966 1.6966 1.8351 1.8351 1.9562 1.9562 2.0660 2.0660 2.1571 2.1571 2.4770 2.4770 2.6622 2.6622 2.8866 2.8866 3.0321 3.0321 4.8075 4.8075 5.6251 5.6251 5.7947 5.7947 5.9668 5.9668 6.3113 6.3113 8.9994 8.9994 9.2082 9.2082 k =-0.1744-0.1234 0.0329 ( 14271 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8356 -12.8356 -12.6737 -12.6737 -11.2971 -11.2971 -11.2495 -11.2495 -10.7681 -10.7681 -10.5912 -10.5912 -8.9265 -8.9265 -8.6705 -8.6705 -2.2135 -2.2135 -1.9894 -1.9894 -1.7587 -1.7587 -1.3060 -1.3060 -0.9946 -0.9946 -0.7758 -0.7758 -0.1452 -0.1452 0.1910 0.1910 0.3524 0.3524 0.7246 0.7246 0.8523 0.8523 1.1056 1.1056 1.2167 1.2167 1.3430 1.3430 1.5936 1.5936 1.6903 1.6903 1.8278 1.8278 1.9529 1.9529 2.0630 2.0630 2.1455 2.1455 2.4728 2.4728 2.6627 2.6627 2.8872 2.8872 3.0484 3.0484 4.7809 4.7809 5.6295 5.6295 5.7966 5.7966 5.9779 5.9779 6.3178 6.3178 8.9327 8.9327 9.1752 9.1752 k =-0.1628-0.1151 0.0307 ( 14280 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8414 -12.8414 -12.6740 -12.6740 -11.2950 -11.2950 -11.2520 -11.2520 -10.7677 -10.7677 -10.5922 -10.5922 -8.9283 -8.9283 -8.6676 -8.6676 -2.2136 -2.2136 -1.9773 -1.9773 -1.7583 -1.7583 -1.2971 -1.2971 -0.9812 -0.9812 -0.7802 -0.7802 -0.1167 -0.1167 0.1910 0.1910 0.3473 0.3473 0.7227 0.7227 0.8745 0.8745 1.1281 1.1281 1.2256 1.2256 1.3437 1.3437 1.5879 1.5879 1.6838 1.6838 1.8203 1.8203 1.9477 1.9477 2.0587 2.0587 2.1354 2.1354 2.4677 2.4677 2.6651 2.6651 2.8870 2.8870 3.0653 3.0653 4.7556 4.7556 5.6300 5.6300 5.8016 5.8016 5.9888 5.9888 6.3241 6.3241 8.8629 8.8629 9.1418 9.1418 k =-0.1512-0.1069 0.0285 ( 14270 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8469 -12.8469 -12.6742 -12.6742 -11.2928 -11.2928 -11.2544 -11.2544 -10.7674 -10.7674 -10.5932 -10.5932 -8.9302 -8.9302 -8.6647 -8.6647 -2.2139 -2.2139 -1.9651 -1.9651 -1.7582 -1.7582 -1.2882 -1.2882 -0.9696 -0.9696 -0.7836 -0.7836 -0.0899 -0.0899 0.1914 0.1914 0.3437 0.3437 0.7179 0.7179 0.8950 0.8950 1.1483 1.1483 1.2380 1.2380 1.3481 1.3481 1.5818 1.5818 1.6775 1.6775 1.8126 1.8126 1.9407 1.9407 2.0517 2.0517 2.1283 2.1283 2.4616 2.4616 2.6694 2.6694 2.8858 2.8858 3.0826 3.0826 4.7321 4.7321 5.6273 5.6273 5.8093 5.8093 5.9993 5.9993 6.3303 6.3303 8.7912 8.7912 9.1089 9.1089 k =-0.1395-0.0987 0.0263 ( 14274 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8521 -12.8521 -12.6744 -12.6744 -11.2905 -11.2905 -11.2568 -11.2568 -10.7671 -10.7671 -10.5941 -10.5941 -8.9322 -8.9322 -8.6619 -8.6619 -2.2142 -2.2142 -1.9528 -1.9528 -1.7584 -1.7584 -1.2795 -1.2795 -0.9601 -0.9601 -0.7856 -0.7856 -0.0650 -0.0650 0.1922 0.1922 0.3417 0.3417 0.7118 0.7118 0.9115 0.9115 1.1651 1.1651 1.2560 1.2560 1.3557 1.3557 1.5753 1.5753 1.6718 1.6718 1.8046 1.8046 1.9322 1.9322 2.0417 2.0417 2.1247 2.1247 2.4549 2.4549 2.6754 2.6754 2.8837 2.8837 3.0998 3.0998 4.7107 4.7107 5.6219 5.6219 5.8189 5.8189 6.0093 6.0093 6.3361 6.3361 8.7192 8.7192 9.0770 9.0770 k =-0.1279-0.0905 0.0241 ( 14274 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8570 -12.8570 -12.6747 -12.6747 -11.2883 -11.2883 -11.2590 -11.2590 -10.7668 -10.7668 -10.5951 -10.5951 -8.9341 -8.9341 -8.6591 -8.6591 -2.2147 -2.2147 -1.9405 -1.9405 -1.7590 -1.7590 -1.2710 -1.2710 -0.9531 -0.9531 -0.7860 -0.7860 -0.0421 -0.0421 0.1933 0.1933 0.3412 0.3412 0.7052 0.7052 0.9224 0.9224 1.1798 1.1798 1.2791 1.2791 1.3655 1.3655 1.5689 1.5689 1.6666 1.6666 1.7960 1.7960 1.9226 1.9226 2.0296 2.0296 2.1236 2.1236 2.4481 2.4481 2.6827 2.6827 2.8805 2.8805 3.1167 3.1167 4.6916 4.6916 5.6149 5.6149 5.8298 5.8298 6.0187 6.0187 6.3416 6.3416 8.6480 8.6480 9.0466 9.0466 k =-0.1163-0.0822 0.0219 ( 14265 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8616 -12.8616 -12.6749 -12.6749 -11.2861 -11.2861 -11.2612 -11.2612 -10.7665 -10.7665 -10.5960 -10.5960 -8.9361 -8.9361 -8.6565 -8.6565 -2.2152 -2.2152 -1.9281 -1.9281 -1.7600 -1.7600 -1.2628 -1.2628 -0.9485 -0.9485 -0.7847 -0.7847 -0.0213 -0.0213 0.1947 0.1947 0.3422 0.3422 0.6986 0.6986 0.9268 0.9268 1.1947 1.1947 1.3051 1.3051 1.3766 1.3766 1.5631 1.5631 1.6621 1.6621 1.7869 1.7869 1.9123 1.9123 2.0166 2.0166 2.1236 2.1236 2.4417 2.4417 2.6909 2.6909 2.8763 2.8763 3.1331 3.1331 4.6750 4.6750 5.6067 5.6067 5.8413 5.8413 6.0275 6.0275 6.3467 6.3467 8.5790 8.5790 9.0179 9.0179 k =-0.1047-0.0740 0.0197 ( 14263 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8658 -12.8658 -12.6751 -12.6751 -11.2840 -11.2840 -11.2632 -11.2632 -10.7664 -10.7664 -10.5969 -10.5969 -8.9379 -8.9379 -8.6540 -8.6540 -2.2158 -2.2158 -1.9159 -1.9159 -1.7615 -1.7615 -1.2550 -1.2550 -0.9462 -0.9462 -0.7818 -0.7818 -0.0027 -0.0027 0.1964 0.1964 0.3442 0.3442 0.6924 0.6924 0.9253 0.9253 1.2113 1.2113 1.3306 1.3306 1.3890 1.3890 1.5585 1.5585 1.6584 1.6584 1.7775 1.7775 1.9014 1.9014 2.0039 2.0039 2.1234 2.1234 2.4362 2.4362 2.6994 2.6994 2.8712 2.8712 3.1486 3.1486 4.6610 4.6610 5.5981 5.5981 5.8527 5.8527 6.0354 6.0354 6.3514 6.3514 8.5132 8.5132 8.9911 8.9911 k =-0.0930-0.0658 0.0175 ( 14261 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8697 -12.8697 -12.6752 -12.6752 -11.2820 -11.2820 -11.2650 -11.2650 -10.7662 -10.7662 -10.5977 -10.5977 -8.9397 -8.9397 -8.6517 -8.6517 -2.2163 -2.2163 -1.9039 -1.9039 -1.7635 -1.7635 -1.2478 -1.2478 -0.9457 -0.9457 -0.7777 -0.7777 0.0136 0.0136 0.1987 0.1987 0.3472 0.3472 0.6870 0.6870 0.9188 0.9188 1.2298 1.2298 1.3518 1.3518 1.4040 1.4040 1.5555 1.5555 1.6554 1.6554 1.7681 1.7681 1.8903 1.8903 1.9920 1.9920 2.1224 2.1224 2.4317 2.4317 2.7081 2.7081 2.8653 2.8653 3.1632 3.1632 4.6494 4.6494 5.5895 5.5895 5.8637 5.8637 6.0426 6.0426 6.3557 6.3557 8.4515 8.4515 8.9666 8.9666 k =-0.0814-0.0576 0.0154 ( 14259 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8731 -12.8731 -12.6754 -12.6754 -11.2802 -11.2802 -11.2667 -11.2667 -10.7662 -10.7662 -10.5984 -10.5984 -8.9414 -8.9414 -8.6496 -8.6496 -2.2169 -2.2169 -1.8922 -1.8922 -1.7660 -1.7660 -1.2411 -1.2411 -0.9466 -0.9466 -0.7728 -0.7728 0.0276 0.0276 0.2015 0.2015 0.3507 0.3507 0.6825 0.6825 0.9089 0.9089 1.2495 1.2495 1.3655 1.3655 1.4232 1.4232 1.5543 1.5543 1.6534 1.6534 1.7590 1.7590 1.8791 1.8791 1.9812 1.9812 2.1203 2.1203 2.4286 2.4286 2.7166 2.7166 2.8589 2.8589 3.1765 3.1765 4.6401 4.6401 5.5811 5.5811 5.8741 5.8741 6.0490 6.0490 6.3595 6.3595 8.3950 8.3950 8.9444 8.9444 k =-0.0698-0.0493 0.0132 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8761 -12.8761 -12.6755 -12.6755 -11.2785 -11.2785 -11.2681 -11.2681 -10.7662 -10.7662 -10.5990 -10.5990 -8.9429 -8.9429 -8.6477 -8.6477 -2.2175 -2.2175 -1.8809 -1.8809 -1.7691 -1.7691 -1.2351 -1.2351 -0.9484 -0.9484 -0.7677 -0.7677 0.0392 0.0392 0.2048 0.2048 0.3544 0.3544 0.6791 0.6791 0.8971 0.8971 1.2693 1.2693 1.3721 1.3721 1.4453 1.4453 1.5544 1.5544 1.6524 1.6524 1.7506 1.7506 1.8683 1.8683 1.9716 1.9716 2.1173 2.1173 2.4267 2.4267 2.7246 2.7246 2.8521 2.8521 3.1884 3.1884 4.6330 4.6330 5.5733 5.5733 5.8835 5.8835 6.0546 6.0546 6.3628 6.3628 8.3443 8.3443 8.9247 8.9247 k =-0.0581-0.0411 0.0110 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4913 -44.4913 -12.8787 -12.8787 -12.6756 -12.6756 -11.2771 -11.2771 -11.2693 -11.2693 -10.7662 -10.7662 -10.5995 -10.5995 -8.9443 -8.9443 -8.6460 -8.6460 -2.2180 -2.2180 -1.8702 -1.8702 -1.7726 -1.7726 -1.2298 -1.2298 -0.9506 -0.9506 -0.7627 -0.7627 0.0486 0.0486 0.2084 0.2084 0.3579 0.3579 0.6767 0.6767 0.8846 0.8846 1.2883 1.2883 1.3739 1.3739 1.4674 1.4674 1.5550 1.5550 1.6527 1.6527 1.7433 1.7433 1.8583 1.8583 1.9629 1.9629 2.1137 2.1137 2.4258 2.4258 2.7320 2.7320 2.8454 2.8454 3.1988 3.1988 4.6276 4.6276 5.5664 5.5664 5.8917 5.8917 6.0593 6.0593 6.3656 6.3656 8.3002 8.3002 8.9078 8.9078 k =-0.0465-0.0329 0.0088 ( 14245 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8809 -12.8809 -12.6757 -12.6757 -11.2759 -11.2759 -11.2703 -11.2703 -10.7662 -10.7662 -10.5999 -10.5999 -8.9454 -8.9454 -8.6447 -8.6447 -2.2184 -2.2184 -1.8603 -1.8603 -1.7764 -1.7764 -1.2254 -1.2254 -0.9530 -0.9530 -0.7581 -0.7581 0.0558 0.0558 0.2121 0.2121 0.3612 0.3612 0.6753 0.6753 0.8726 0.8726 1.3057 1.3057 1.3732 1.3732 1.4875 1.4875 1.5553 1.5553 1.6540 1.6540 1.7371 1.7371 1.8496 1.8496 1.9552 1.9552 2.1099 2.1099 2.4257 2.4257 2.7386 2.7386 2.8390 2.8390 3.2074 3.2074 4.6237 4.6237 5.5604 5.5604 5.8987 5.8987 6.0632 6.0632 6.3679 6.3679 8.2632 8.2632 8.8937 8.8937 k =-0.0349-0.0247 0.0066 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8825 -12.8825 -12.6758 -12.6758 -11.2751 -11.2751 -11.2710 -11.2710 -10.7662 -10.7662 -10.6002 -10.6002 -8.9463 -8.9463 -8.6436 -8.6436 -2.2188 -2.2188 -1.8514 -1.8514 -1.7804 -1.7804 -1.2219 -1.2219 -0.9551 -0.9551 -0.7543 -0.7543 0.0611 0.0611 0.2155 0.2155 0.3638 0.3638 0.6747 0.6747 0.8621 0.8621 1.3206 1.3206 1.3712 1.3712 1.5041 1.5041 1.5554 1.5554 1.6560 1.6560 1.7321 1.7321 1.8427 1.8427 1.9485 1.9485 2.1064 2.1064 2.4260 2.4260 2.7441 2.7441 2.8333 2.8333 3.2143 3.2143 4.6211 4.6211 5.5556 5.5556 5.9042 5.9042 6.0662 6.0662 6.3697 6.3697 8.2339 8.2339 8.8826 8.8826 k =-0.0233-0.0164 0.0044 ( 14250 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8837 -12.8837 -12.6758 -12.6758 -11.2746 -11.2746 -11.2714 -11.2714 -10.7663 -10.7663 -10.6004 -10.6004 -8.9470 -8.9470 -8.6428 -8.6428 -2.2190 -2.2190 -1.8442 -1.8442 -1.7842 -1.7842 -1.2194 -1.2194 -0.9568 -0.9568 -0.7515 -0.7515 0.0647 0.0647 0.2183 0.2183 0.3658 0.3658 0.6746 0.6746 0.8539 0.8539 1.3323 1.3323 1.3689 1.3689 1.5161 1.5161 1.5556 1.5556 1.6580 1.6580 1.7284 1.7284 1.8380 1.8380 1.9431 1.9431 2.1037 2.1037 2.4265 2.4265 2.7484 2.7484 2.8288 2.8288 3.2193 3.2193 4.6194 4.6194 5.5521 5.5521 5.9083 5.9083 6.0683 6.0683 6.3710 6.3710 8.2127 8.2127 8.8746 8.8746 k =-0.0116-0.0082 0.0022 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8844 -12.8844 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6005 -10.6005 -8.9474 -8.9474 -8.6423 -8.6423 -2.2192 -2.2192 -1.8392 -1.8392 -1.7870 -1.7870 -1.2178 -1.2178 -0.9578 -0.9578 -0.7497 -0.7497 0.0668 0.0668 0.2202 0.2202 0.3670 0.3670 0.6747 0.6747 0.8487 0.8487 1.3402 1.3402 1.3668 1.3668 1.5230 1.5230 1.5562 1.5562 1.6595 1.6595 1.7260 1.7260 1.8354 1.8354 1.9396 1.9396 2.1019 2.1019 2.4268 2.4268 2.7512 2.7512 2.8258 2.8258 3.2223 3.2223 4.6185 4.6185 5.5500 5.5500 5.9107 5.9107 6.0696 6.0696 6.3717 6.3717 8.1999 8.1999 8.8697 8.8697 k = 0.0000 0.0000 0.0000 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8847 -12.8847 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2193 -2.2193 -1.8374 -1.8374 -1.7881 -1.7881 -1.2173 -1.2173 -0.9582 -0.9582 -0.7491 -0.7491 0.0675 0.0675 0.2208 0.2208 0.3674 0.3674 0.6747 0.6747 0.8469 0.8469 1.3430 1.3430 1.3659 1.3659 1.5251 1.5251 1.5565 1.5565 1.6600 1.6600 1.7252 1.7252 1.8345 1.8345 1.9383 1.9383 2.1013 2.1013 2.4270 2.4270 2.7521 2.7521 2.8248 2.8248 3.2233 3.2233 4.6182 4.6182 5.5493 5.5493 5.9115 5.9115 6.0701 6.0701 6.3720 6.3720 8.1956 8.1956 8.8681 8.8681 k = 0.0000 0.0000 0.0000 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8847 -12.8847 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2193 -2.2193 -1.8374 -1.8374 -1.7881 -1.7881 -1.2173 -1.2173 -0.9582 -0.9582 -0.7491 -0.7491 0.0675 0.0675 0.2208 0.2208 0.3674 0.3674 0.6747 0.6747 0.8469 0.8469 1.3430 1.3430 1.3659 1.3659 1.5251 1.5251 1.5565 1.5565 1.6600 1.6600 1.7252 1.7252 1.8345 1.8345 1.9383 1.9383 2.1013 2.1013 2.4270 2.4270 2.7521 2.7521 2.8248 2.8248 3.2233 3.2233 4.6182 4.6182 5.5493 5.5493 5.9115 5.9115 6.0701 6.0701 6.3720 6.3720 8.1956 8.1956 8.8681 8.8681 k = 0.0000 0.0000 0.0142 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8843 -12.8843 -12.6762 -12.6762 -11.2777 -11.2777 -11.2683 -11.2683 -10.7664 -10.7664 -10.6005 -10.6005 -8.9468 -8.9468 -8.6425 -8.6425 -2.2207 -2.2207 -1.8424 -1.8424 -1.7830 -1.7830 -1.2210 -1.2210 -0.9561 -0.9561 -0.7483 -0.7483 0.0679 0.0679 0.2181 0.2181 0.3700 0.3700 0.6764 0.6764 0.8492 0.8492 1.3386 1.3386 1.3688 1.3688 1.5235 1.5235 1.5586 1.5586 1.6598 1.6598 1.7276 1.7276 1.8349 1.8349 1.9387 1.9387 2.1010 2.1010 2.4272 2.4272 2.7511 2.7511 2.8236 2.8236 3.2234 3.2234 4.6195 4.6195 5.5499 5.5499 5.9073 5.9073 6.0692 6.0692 6.3691 6.3691 8.1984 8.1984 8.8681 8.8681 k = 0.0000 0.0000 0.0283 ( 14254 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8833 -12.8833 -12.6773 -12.6773 -11.2823 -11.2823 -11.2641 -11.2641 -10.7666 -10.7666 -10.6003 -10.6003 -8.9447 -8.9447 -8.6436 -8.6436 -2.2249 -2.2249 -1.8534 -1.8534 -1.7716 -1.7716 -1.2316 -1.2316 -0.9505 -0.9505 -0.7457 -0.7457 0.0692 0.0692 0.2102 0.2102 0.3775 0.3775 0.6814 0.6814 0.8559 0.8559 1.3287 1.3287 1.3743 1.3743 1.5198 1.5198 1.5634 1.5634 1.6598 1.6598 1.7342 1.7342 1.8360 1.8360 1.9399 1.9399 2.1001 2.1001 2.4280 2.4280 2.7480 2.7480 2.8200 2.8200 3.2238 3.2238 4.6234 4.6234 5.5516 5.5516 5.8950 5.8950 6.0664 6.0664 6.3607 6.3607 8.2067 8.2067 8.8680 8.8680 k = 0.0000 0.0000 0.0425 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8816 -12.8816 -12.6791 -12.6791 -11.2870 -11.2870 -11.2600 -11.2600 -10.7669 -10.7669 -10.5999 -10.5999 -8.9413 -8.9413 -8.6454 -8.6454 -2.2319 -2.2319 -1.8657 -1.8657 -1.7585 -1.7585 -1.2474 -1.2474 -0.9426 -0.9426 -0.7414 -0.7414 0.0712 0.0712 0.1981 0.1981 0.3892 0.3892 0.6895 0.6895 0.8669 0.8669 1.3158 1.3158 1.3798 1.3798 1.5160 1.5160 1.5690 1.5690 1.6610 1.6610 1.7441 1.7441 1.8378 1.8378 1.9419 1.9419 2.0986 2.0986 2.4292 2.4292 2.7428 2.7428 2.8141 2.8141 3.2243 3.2243 4.6299 4.6299 5.5545 5.5545 5.8753 5.8753 6.0611 6.0611 6.3471 6.3471 8.2203 8.2203 8.8677 8.8677 k = 0.0000 0.0000 0.0567 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8792 -12.8792 -12.6816 -12.6816 -11.2917 -11.2917 -11.2562 -11.2562 -10.7674 -10.7674 -10.5995 -10.5995 -8.9365 -8.9365 -8.6479 -8.6479 -2.2415 -2.2415 -1.8775 -1.8775 -1.7458 -1.7458 -1.2668 -1.2668 -0.9340 -0.9340 -0.7353 -0.7353 0.0736 0.0736 0.1829 0.1829 0.4045 0.4045 0.7005 0.7005 0.8815 0.8815 1.3008 1.3008 1.3849 1.3849 1.5129 1.5129 1.5743 1.5743 1.6642 1.6642 1.7559 1.7559 1.8406 1.8406 1.9450 1.9450 2.0965 2.0965 2.4307 2.4307 2.7355 2.7355 2.8061 2.8061 3.2251 3.2251 4.6389 4.6389 5.5581 5.5581 5.8492 5.8492 6.0528 6.0528 6.3292 6.3292 8.2389 8.2389 8.8674 8.8674 k = 0.0000 0.0000 0.0709 ( 14244 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8762 -12.8762 -12.6848 -12.6848 -11.2964 -11.2964 -11.2526 -11.2526 -10.7680 -10.7680 -10.5989 -10.5989 -8.9305 -8.9305 -8.6511 -8.6511 -2.2536 -2.2536 -1.8877 -1.8877 -1.7344 -1.7344 -1.2881 -1.2881 -0.9260 -0.9260 -0.7275 -0.7275 0.0758 0.0758 0.1654 0.1654 0.4232 0.4232 0.7141 0.7141 0.8994 0.8994 1.2840 1.2840 1.3893 1.3893 1.5109 1.5109 1.5787 1.5787 1.6696 1.6696 1.7686 1.7686 1.8444 1.8444 1.9495 1.9495 2.0940 2.0940 2.4325 2.4325 2.7262 2.7262 2.7963 2.7963 3.2260 3.2260 4.6503 4.6503 5.5622 5.5622 5.8182 5.8182 6.0409 6.0409 6.3080 6.3080 8.2621 8.2621 8.8668 8.8668 k = 0.0000 0.0000 0.0850 ( 14251 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8725 -12.8725 -12.6886 -12.6886 -11.3010 -11.3010 -11.2493 -11.2493 -10.7686 -10.7686 -10.5982 -10.5982 -8.9234 -8.9234 -8.6551 -8.6551 -2.2679 -2.2679 -1.8960 -1.8960 -1.7252 -1.7252 -1.3098 -1.3098 -0.9192 -0.9192 -0.7180 -0.7180 0.0770 0.0770 0.1472 0.1472 0.4447 0.4447 0.7296 0.7296 0.9199 0.9199 1.2657 1.2657 1.3934 1.3934 1.5101 1.5101 1.5825 1.5825 1.6769 1.6769 1.7808 1.7808 1.8499 1.8499 1.9554 1.9554 2.0912 2.0912 2.4343 2.4343 2.7149 2.7149 2.7850 2.7850 3.2269 3.2269 4.6640 4.6640 5.5659 5.5659 5.7836 5.7836 6.0249 6.0249 6.2847 6.2847 8.2893 8.2893 8.8660 8.8660 k = 0.0000 0.0000 0.0992 ( 14256 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8682 -12.8682 -12.6931 -12.6931 -11.3055 -11.3055 -11.2462 -11.2462 -10.7694 -10.7694 -10.5974 -10.5974 -8.9151 -8.9151 -8.6598 -8.6598 -2.2839 -2.2839 -1.9021 -1.9021 -1.7185 -1.7185 -1.3309 -1.3309 -0.9140 -0.9140 -0.7071 -0.7071 0.0752 0.0752 0.1305 0.1305 0.4690 0.4690 0.7465 0.7465 0.9424 0.9424 1.2464 1.2464 1.3972 1.3972 1.5103 1.5103 1.5860 1.5860 1.6855 1.6855 1.7910 1.7910 1.8579 1.8579 1.9629 1.9629 2.0881 2.0881 2.4362 2.4362 2.7018 2.7018 2.7724 2.7724 3.2279 3.2279 4.6799 4.6799 5.5681 5.5681 5.7477 5.7477 6.0045 6.0045 6.2606 6.2606 8.3201 8.3201 8.8648 8.8648 k = 0.0000 0.0000 0.1134 ( 14264 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8634 -12.8634 -12.6981 -12.6981 -11.3098 -11.3098 -11.2434 -11.2434 -10.7702 -10.7702 -10.5966 -10.5966 -8.9058 -8.9058 -8.6652 -8.6652 -2.3012 -2.3012 -1.9060 -1.9060 -1.7148 -1.7148 -1.3503 -1.3503 -0.9104 -0.9104 -0.6951 -0.6951 0.0670 0.0670 0.1190 0.1190 0.4955 0.4955 0.7643 0.7643 0.9660 0.9660 1.2264 1.2264 1.4012 1.4012 1.5113 1.5113 1.5896 1.5896 1.6945 1.6945 1.7983 1.7983 1.8691 1.8691 1.9720 1.9720 2.0849 2.0849 2.4378 2.4378 2.6869 2.6869 2.7589 2.7589 3.2290 3.2290 4.6978 4.6978 5.5664 5.5664 5.7134 5.7134 5.9799 5.9799 6.2368 6.2368 8.3538 8.3538 8.8633 8.8633 k = 0.0000 0.0000 0.1276 ( 14259 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8580 -12.8580 -12.7038 -12.7038 -11.3138 -11.3138 -11.2410 -11.2410 -10.7710 -10.7710 -10.5958 -10.5958 -8.8956 -8.8956 -8.6714 -8.6714 -2.3192 -2.3192 -1.9078 -1.9078 -1.7145 -1.7145 -1.3675 -1.3675 -0.9081 -0.9081 -0.6823 -0.6823 0.0512 0.0512 0.1143 0.1143 0.5238 0.5238 0.7822 0.7822 0.9900 0.9900 1.2064 1.2064 1.4057 1.4057 1.5127 1.5127 1.5937 1.5937 1.7032 1.7032 1.8024 1.8024 1.8834 1.8834 1.9824 1.9824 2.0821 2.0821 2.4392 2.4392 2.6706 2.6706 2.7449 2.7449 3.2300 3.2300 4.7175 4.7175 5.5566 5.5566 5.6854 5.6854 5.9516 5.9516 6.2141 6.2141 8.3900 8.3900 8.8613 8.8613 k = 0.0000 0.0000 0.1417 ( 14262 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8520 -12.8520 -12.7099 -12.7099 -11.3176 -11.3176 -11.2388 -11.2388 -10.7718 -10.7718 -10.5949 -10.5949 -8.8846 -8.8846 -8.6783 -8.6783 -2.3373 -2.3373 -1.9075 -1.9075 -1.7175 -1.7175 -1.3820 -1.3820 -0.9071 -0.9071 -0.6691 -0.6691 0.0307 0.0307 0.1138 0.1138 0.5532 0.5532 0.7996 0.7996 1.0134 1.0134 1.1869 1.1869 1.4108 1.4108 1.5145 1.5145 1.5984 1.5984 1.7107 1.7107 1.8041 1.8041 1.8999 1.8999 1.9934 1.9934 2.0801 2.0801 2.4401 2.4401 2.6534 2.6534 2.7305 2.7305 3.2310 3.2310 4.7388 4.7388 5.5354 5.5354 5.6676 5.6676 5.9210 5.9210 6.1931 6.1931 8.4281 8.4281 8.8588 8.8588 k = 0.0000 0.0000 0.1559 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8456 -12.8456 -12.7165 -12.7165 -11.3211 -11.3211 -11.2368 -11.2368 -10.7726 -10.7726 -10.5941 -10.5941 -8.8730 -8.8730 -8.6859 -8.6859 -2.3550 -2.3550 -1.9053 -1.9053 -1.7238 -1.7238 -1.3936 -1.3936 -0.9069 -0.9069 -0.6556 -0.6556 0.0087 0.0087 0.1150 0.1150 0.5832 0.5832 0.8159 0.8159 1.0351 1.0351 1.1690 1.1690 1.4171 1.4171 1.5162 1.5162 1.6038 1.6038 1.7163 1.7163 1.8045 1.8045 1.9174 1.9174 2.0039 2.0039 2.0797 2.0797 2.4404 2.4404 2.6356 2.6356 2.7162 2.7162 3.2319 3.2319 4.7613 4.7613 5.5041 5.5041 5.6586 5.6586 5.8900 5.8900 6.1737 6.1737 8.4675 8.4675 8.8557 8.8557 k = 0.0000 0.0000 0.1701 ( 14251 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8388 -12.8388 -12.7236 -12.7236 -11.3243 -11.3243 -11.2352 -11.2352 -10.7734 -10.7734 -10.5933 -10.5933 -8.8608 -8.8608 -8.6943 -8.6943 -2.3718 -2.3718 -1.9012 -1.9012 -1.7331 -1.7331 -1.4024 -1.4024 -0.9073 -0.9073 -0.6424 -0.6424 -0.0135 -0.0135 0.1167 0.1167 0.6131 0.6131 0.8302 0.8302 1.0535 1.0535 1.1539 1.1539 1.4246 1.4246 1.5178 1.5178 1.6100 1.6100 1.7191 1.7191 1.8049 1.8049 1.9347 1.9347 2.0126 2.0126 2.0824 2.0824 2.4400 2.4400 2.6179 2.6179 2.7022 2.7022 3.2327 3.2327 4.7845 4.7845 5.4678 5.4678 5.6531 5.6531 5.8610 5.8610 6.1561 6.1561 8.5077 8.5077 8.8520 8.8520 k = 0.0000 0.0000 0.1842 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8315 -12.8315 -12.7310 -12.7310 -11.3271 -11.3271 -11.2338 -11.2338 -10.7741 -10.7741 -10.5925 -10.5925 -8.8482 -8.8482 -8.7033 -8.7033 -2.3872 -2.3872 -1.8955 -1.8955 -1.7447 -1.7447 -1.4088 -1.4088 -0.9081 -0.9081 -0.6297 -0.6297 -0.0346 -0.0346 0.1184 0.1184 0.6424 0.6424 0.8417 0.8417 1.0667 1.0667 1.1437 1.1437 1.4336 1.4336 1.5188 1.5188 1.6169 1.6169 1.7187 1.7187 1.8058 1.8058 1.9505 1.9505 2.0187 2.0187 2.0888 2.0888 2.4388 2.4388 2.6009 2.6009 2.6891 2.6891 3.2334 3.2334 4.8081 4.8081 5.4306 5.4306 5.6467 5.6467 5.8366 5.8366 6.1403 6.1403 8.5480 8.5480 8.8474 8.8474 k = 0.0000 0.0000 0.1984 ( 14250 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8240 -12.8240 -12.7387 -12.7387 -11.3295 -11.3295 -11.2326 -11.2326 -10.7747 -10.7747 -10.5919 -10.5919 -8.8353 -8.8353 -8.7130 -8.7130 -2.4010 -2.4010 -1.8883 -1.8883 -1.7580 -1.7580 -1.4133 -1.4133 -0.9091 -0.9091 -0.6178 -0.6178 -0.0541 -0.0541 0.1201 0.1201 0.6706 0.6706 0.8495 0.8495 1.0729 1.0729 1.1403 1.1403 1.4439 1.4439 1.5193 1.5193 1.6245 1.6245 1.7150 1.7150 1.8078 1.8078 1.9632 1.9632 2.0230 2.0230 2.0986 2.0986 2.4367 2.4367 2.5853 2.5853 2.6770 2.6770 3.2339 3.2339 4.8312 4.8312 5.3952 5.3952 5.6369 5.6369 5.8189 5.8189 6.1262 6.1262 8.5876 8.5876 8.8417 8.8417 k = 0.0000 0.0000 0.2126 ( 14249 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8162 -12.8162 -12.7467 -12.7467 -11.3315 -11.3315 -11.2317 -11.2317 -10.7752 -10.7752 -10.5913 -10.5913 -8.8222 -8.8222 -8.7234 -8.7234 -2.4126 -2.4126 -1.8796 -1.8796 -1.7726 -1.7726 -1.4162 -1.4162 -0.9101 -0.9101 -0.6072 -0.6072 -0.0712 -0.0712 0.1215 0.1215 0.6971 0.6971 0.8528 0.8528 1.0732 1.0732 1.1430 1.1430 1.4554 1.4554 1.5188 1.5188 1.6325 1.6325 1.7084 1.7084 1.8106 1.8106 1.9714 1.9714 2.0273 2.0273 2.1102 2.1102 2.4336 2.4336 2.5717 2.5717 2.6665 2.6665 3.2344 3.2344 4.8529 4.8529 5.3632 5.3632 5.6237 5.6237 5.8082 5.8082 6.1140 6.1140 8.6257 8.6257 8.8348 8.8348 k = 0.0000 0.0000 0.2268 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8083 -12.8083 -12.7547 -12.7547 -11.3331 -11.3331 -11.2310 -11.2310 -10.7757 -10.7757 -10.5909 -10.5909 -8.8090 -8.8090 -8.7343 -8.7343 -2.4220 -2.4220 -1.8695 -1.8695 -1.7876 -1.7876 -1.4180 -1.4180 -0.9109 -0.9109 -0.5984 -0.5984 -0.0854 -0.0854 0.1226 0.1226 0.7212 0.7212 0.8516 0.8516 1.0711 1.0711 1.1480 1.1480 1.4674 1.4674 1.5171 1.5171 1.6409 1.6409 1.6997 1.6997 1.8137 1.8137 1.9750 1.9750 2.0324 2.0324 2.1217 2.1217 2.4299 2.4299 2.5609 2.5609 2.6579 2.6579 3.2347 3.2347 4.8721 4.8721 5.3363 5.3363 5.6092 5.6092 5.8031 5.8031 6.1041 6.1041 8.6611 8.6611 8.8263 8.8263 k = 0.0000 0.0000 0.2409 ( 14249 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8004 -12.8004 -12.7627 -12.7627 -11.3343 -11.3343 -11.2305 -11.2305 -10.7760 -10.7760 -10.5905 -10.5905 -8.7959 -8.7959 -8.7458 -8.7458 -2.4288 -2.4288 -1.8581 -1.8581 -1.8028 -1.8028 -1.4191 -1.4191 -0.9116 -0.9116 -0.5917 -0.5917 -0.0960 -0.0960 0.1234 0.1234 0.7420 0.7420 0.8469 0.8469 1.0690 1.0690 1.1528 1.1528 1.4791 1.4791 1.5141 1.5141 1.6497 1.6497 1.6898 1.6898 1.8165 1.8165 1.9755 1.9755 2.0376 2.0376 2.1316 2.1316 2.4262 2.4262 2.5531 2.5531 2.6515 2.6515 3.2350 3.2350 4.8875 4.8875 5.3157 5.3157 5.5963 5.5963 5.8013 5.8013 6.0966 6.0966 8.6920 8.6920 8.8164 8.8164 k = 0.0000 0.0000 0.2551 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.7932 -12.7932 -12.7700 -12.7700 -11.3349 -11.3349 -11.2302 -11.2302 -10.7762 -10.7762 -10.5903 -10.5903 -8.7829 -8.7829 -8.7577 -8.7577 -2.4330 -2.4330 -1.8457 -1.8457 -1.8177 -1.8177 -1.4197 -1.4197 -0.9121 -0.9121 -0.5875 -0.5875 -0.1025 -0.1025 0.1238 0.1238 0.7573 0.7573 0.8410 0.8410 1.0677 1.0677 1.1560 1.1560 1.4892 1.4892 1.5097 1.5097 1.6589 1.6589 1.6795 1.6795 1.8184 1.8184 1.9749 1.9749 2.0413 2.0413 2.1383 2.1383 2.4234 2.4234 2.5485 2.5485 2.6475 2.6475 3.2351 3.2351 4.8974 4.8974 5.3027 5.3027 5.5876 5.5876 5.8010 5.8010 6.0920 6.0920 8.7153 8.7153 8.8065 8.8065 k = 0.0000 0.0000 0.2693 ( 14260 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.7893 -12.7893 -12.7738 -12.7738 -11.3352 -11.3352 -11.2301 -11.2301 -10.7762 -10.7762 -10.5902 -10.5902 -8.7712 -8.7712 -8.7692 -8.7692 -2.4344 -2.4344 -1.8338 -1.8338 -1.8304 -1.8304 -1.4198 -1.4198 -0.9122 -0.9122 -0.5860 -0.5860 -0.1047 -0.1047 0.1240 0.1240 0.7632 0.7632 0.8382 0.8382 1.0673 1.0673 1.1571 1.1571 1.4946 1.4946 1.5064 1.5064 1.6669 1.6669 1.6710 1.6710 1.8191 1.8191 1.9745 1.9745 2.0426 2.0426 2.1406 2.1406 2.4223 2.4223 2.5470 2.5470 2.6462 2.6462 3.2352 3.2352 4.9009 4.9009 5.2983 5.2983 5.5845 5.5845 5.8011 5.8011 6.0904 6.0904 8.7247 8.7247 8.8018 8.8018 k = 0.0000-0.3143 0.1777 ( 14242 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8009 -12.8009 -12.7208 -12.7208 -11.4627 -11.4627 -11.1821 -11.1821 -10.8736 -10.8736 -10.5014 -10.5014 -8.7369 -8.7369 -8.7118 -8.7118 -2.3185 -2.3185 -2.0657 -2.0657 -1.9658 -1.9658 -1.5552 -1.5552 -1.1260 -1.1260 -0.5403 -0.5403 0.2340 0.2340 0.5326 0.5326 0.7524 0.7524 0.9264 0.9264 0.9312 0.9312 1.0628 1.0628 1.4035 1.4035 1.4041 1.4041 1.6030 1.6030 1.6893 1.6893 1.9766 1.9766 2.0050 2.0050 2.2265 2.2265 2.2812 2.2812 2.5159 2.5159 2.6340 2.6340 2.7645 2.7645 3.2768 3.2768 4.8682 4.8682 4.9398 4.9398 5.1368 5.1368 5.3268 5.3268 5.9880 5.9880 8.5194 8.5194 9.0990 9.0990 k = 0.0000-0.3022 0.1709 ( 14248 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8013 -12.8013 -12.7206 -12.7206 -11.4621 -11.4621 -11.1824 -11.1824 -10.8733 -10.8733 -10.5017 -10.5017 -8.7376 -8.7376 -8.7115 -8.7115 -2.3181 -2.3181 -2.0653 -2.0653 -1.9649 -1.9649 -1.5544 -1.5544 -1.1250 -1.1250 -0.5411 -0.5411 0.2340 0.2340 0.5309 0.5309 0.7481 0.7481 0.9185 0.9185 0.9397 0.9397 1.0670 1.0670 1.3993 1.3993 1.4078 1.4078 1.6027 1.6027 1.6891 1.6891 1.9718 1.9718 2.0067 2.0067 2.2233 2.2233 2.2824 2.2824 2.5162 2.5162 2.6351 2.6351 2.7640 2.7640 3.2760 3.2760 4.8643 4.8643 4.9438 4.9438 5.1407 5.1407 5.3300 5.3300 5.9894 5.9894 8.5205 8.5205 9.0961 9.0961 k = 0.0000-0.2901 0.1640 ( 14251 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8023 -12.8023 -12.7201 -12.7201 -11.4601 -11.4601 -11.1831 -11.1831 -10.8722 -10.8722 -10.5029 -10.5029 -8.7397 -8.7397 -8.7108 -8.7108 -2.3169 -2.3169 -2.0643 -2.0643 -1.9624 -1.9624 -1.5522 -1.5522 -1.1221 -1.1221 -0.5436 -0.5436 0.2338 0.2338 0.5260 0.5260 0.7366 0.7366 0.9067 0.9067 0.9530 0.9530 1.0788 1.0788 1.3944 1.3944 1.4116 1.4116 1.6020 1.6020 1.6885 1.6885 1.9601 1.9601 2.0092 2.0092 2.2146 2.2146 2.2852 2.2852 2.5169 2.5169 2.6382 2.6382 2.7627 2.7627 3.2736 3.2736 4.8546 4.8546 4.9544 4.9544 5.1522 5.1522 5.3395 5.3395 5.9937 5.9937 8.5239 8.5239 9.0874 9.0874 k = 0.0000-0.2780 0.1572 ( 14258 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8039 -12.8039 -12.7194 -12.7194 -11.4569 -11.4569 -11.1844 -11.1844 -10.8705 -10.8705 -10.5049 -10.5049 -8.7431 -8.7431 -8.7095 -8.7095 -2.3149 -2.3149 -2.0625 -2.0625 -1.9581 -1.9581 -1.5484 -1.5484 -1.1172 -1.1172 -0.5476 -0.5476 0.2334 0.2334 0.5180 0.5180 0.7202 0.7202 0.8920 0.8920 0.9693 0.9693 1.0962 1.0962 1.3889 1.3889 1.4152 1.4152 1.6009 1.6009 1.6875 1.6875 1.9443 1.9443 2.0099 2.0099 2.2021 2.2021 2.2880 2.2880 2.5176 2.5176 2.6432 2.6432 2.7605 2.7605 3.2699 3.2699 4.8417 4.8417 4.9694 4.9694 5.1707 5.1707 5.3550 5.3550 6.0007 6.0007 8.5294 8.5294 9.0729 9.0729 k = 0.0000-0.2660 0.1504 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8062 -12.8062 -12.7183 -12.7183 -11.4524 -11.4524 -11.1862 -11.1862 -10.8680 -10.8680 -10.5076 -10.5076 -8.7479 -8.7479 -8.7077 -8.7077 -2.3122 -2.3122 -2.0598 -2.0598 -1.9524 -1.9524 -1.5431 -1.5431 -1.1104 -1.1104 -0.5533 -0.5533 0.2330 0.2330 0.5070 0.5070 0.7011 0.7011 0.8750 0.8750 0.9869 0.9869 1.1172 1.1172 1.3831 1.3831 1.4188 1.4188 1.5998 1.5998 1.6864 1.6864 1.9259 1.9259 2.0081 2.0081 2.1869 2.1869 2.2899 2.2899 2.5179 2.5179 2.6497 2.6497 2.7579 2.7579 3.2652 3.2652 4.8273 4.8273 4.9876 4.9876 5.1954 5.1954 5.3761 5.3761 6.0103 6.0103 8.5371 8.5371 9.0524 9.0524 k = 0.0000-0.2539 0.1435 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8090 -12.8090 -12.7170 -12.7170 -11.4468 -11.4468 -11.1885 -11.1885 -10.8648 -10.8648 -10.5110 -10.5110 -8.7540 -8.7540 -8.7055 -8.7055 -2.3087 -2.3087 -2.0563 -2.0563 -1.9455 -1.9455 -1.5363 -1.5363 -1.1020 -1.1020 -0.5604 -0.5604 0.2324 0.2324 0.4932 0.4932 0.6808 0.6808 0.8564 0.8564 1.0047 1.0047 1.1401 1.1401 1.3771 1.3771 1.4222 1.4222 1.5990 1.5990 1.6854 1.6854 1.9058 1.9058 2.0037 2.0037 2.1700 2.1700 2.2902 2.2902 2.5173 2.5173 2.6573 2.6573 2.7550 2.7550 3.2600 3.2600 4.8121 4.8121 5.0088 5.0088 5.2254 5.2254 5.4021 5.4021 6.0225 6.0225 8.5467 8.5467 9.0262 9.0262 k = 0.0000-0.2418 0.1367 ( 14250 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8124 -12.8124 -12.7154 -12.7154 -11.4401 -11.4401 -11.1913 -11.1913 -10.8609 -10.8609 -10.5150 -10.5150 -8.7613 -8.7613 -8.7029 -8.7029 -2.3046 -2.3046 -2.0517 -2.0517 -1.9374 -1.9374 -1.5278 -1.5278 -1.0919 -1.0919 -0.5689 -0.5689 0.2317 0.2317 0.4771 0.4771 0.6599 0.6599 0.8365 0.8365 1.0220 1.0220 1.1632 1.1632 1.3713 1.3713 1.4255 1.4255 1.5989 1.5989 1.6848 1.6848 1.8845 1.8845 1.9970 1.9970 2.1518 2.1518 2.2885 2.2885 2.5152 2.5152 2.6658 2.6658 2.7524 2.7524 3.2547 3.2547 4.7968 4.7968 5.0328 5.0328 5.2597 5.2597 5.4325 5.4325 6.0369 6.0369 8.5581 8.5581 8.9943 8.9943 k = 0.0000-0.2297 0.1298 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8162 -12.8162 -12.7135 -12.7135 -11.4323 -11.4323 -11.1947 -11.1947 -10.8563 -10.8563 -10.5198 -10.5198 -8.7697 -8.7697 -8.6999 -8.6999 -2.2998 -2.2998 -2.0461 -2.0461 -1.9284 -1.9284 -1.5178 -1.5178 -1.0805 -1.0805 -0.5787 -0.5787 0.2308 0.2308 0.4590 0.4590 0.6389 0.6389 0.8157 0.8157 1.0383 1.0383 1.1852 1.1852 1.3660 1.3660 1.4285 1.4285 1.5997 1.5997 1.6853 1.6853 1.8630 1.8630 1.9881 1.9881 2.1325 2.1325 2.2844 2.2844 2.5115 2.5115 2.6746 2.6746 2.7505 2.7505 3.2496 3.2496 4.7815 4.7815 5.0596 5.0596 5.2975 5.2975 5.4667 5.4667 6.0534 6.0534 8.5711 8.5711 8.9572 8.9572 k = 0.0000-0.2176 0.1230 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8205 -12.8205 -12.7115 -12.7115 -11.4237 -11.4237 -11.1985 -11.1985 -10.8510 -10.8510 -10.5250 -10.5250 -8.7791 -8.7791 -8.6965 -8.6965 -2.2945 -2.2945 -2.0394 -2.0394 -1.9188 -1.9188 -1.5062 -1.5062 -1.0678 -1.0678 -0.5896 -0.5896 0.2298 0.2298 0.4393 0.4393 0.6177 0.6177 0.7942 0.7942 1.0529 1.0529 1.2048 1.2048 1.3614 1.3614 1.4313 1.4313 1.6016 1.6016 1.6875 1.6875 1.8416 1.8416 1.9776 1.9776 2.1126 2.1126 2.2773 2.2773 2.5060 2.5060 2.6834 2.6834 2.7497 2.7497 3.2450 3.2450 4.7666 4.7666 5.0888 5.0888 5.3379 5.3379 5.5042 5.5042 6.0716 6.0716 8.5853 8.5853 8.9156 8.9156 k = 0.0000-0.2055 0.1162 ( 14245 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8250 -12.8250 -12.7092 -12.7092 -11.4143 -11.4143 -11.2028 -11.2028 -10.8451 -10.8451 -10.5308 -10.5308 -8.7895 -8.7895 -8.6929 -8.6929 -2.2888 -2.2888 -2.0316 -2.0316 -1.9087 -1.9087 -1.4930 -1.4930 -1.0543 -1.0543 -0.6016 -0.6016 0.2287 0.2287 0.4183 0.4183 0.5964 0.5964 0.7726 0.7726 1.0655 1.0655 1.2213 1.2213 1.3575 1.3575 1.4339 1.4339 1.6040 1.6040 1.6925 1.6925 1.8212 1.8212 1.9658 1.9658 2.0923 2.0923 2.2670 2.2670 2.4993 2.4993 2.6920 2.6920 2.7503 2.7503 3.2410 3.2410 4.7521 4.7521 5.1202 5.1202 5.3803 5.3803 5.5444 5.5444 6.0914 6.0914 8.6002 8.6002 8.8705 8.8705 k = 0.0000-0.1934 0.1093 ( 14244 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8298 -12.8298 -12.7068 -12.7068 -11.4043 -11.4043 -11.2076 -11.2076 -10.8386 -10.8386 -10.5370 -10.5370 -8.8006 -8.8006 -8.6890 -8.6890 -2.2827 -2.2827 -2.0225 -2.0225 -1.8983 -1.8983 -1.4782 -1.4782 -1.0401 -1.0401 -0.6144 -0.6144 0.2275 0.2275 0.3963 0.3963 0.5749 0.5749 0.7511 0.7511 1.0754 1.0754 1.2349 1.2349 1.3536 1.3536 1.4369 1.4369 1.6062 1.6062 1.7010 1.7010 1.8024 1.8024 1.9533 1.9533 2.0717 2.0717 2.2529 2.2529 2.4918 2.4918 2.7001 2.7001 2.7524 2.7524 3.2376 3.2376 4.7381 4.7381 5.1534 5.1534 5.4238 5.4238 5.5866 5.5866 6.1124 6.1124 8.6149 8.6149 8.8236 8.8236 k = 0.0000-0.1813 0.1025 ( 14234 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8347 -12.8347 -12.7043 -12.7043 -11.3937 -11.3937 -11.2127 -11.2127 -10.8317 -10.8317 -10.5435 -10.5435 -8.8124 -8.8124 -8.6850 -8.6850 -2.2764 -2.2764 -2.0123 -2.0123 -1.8877 -1.8877 -1.4619 -1.4619 -1.0257 -1.0257 -0.6279 -0.6279 0.2262 0.2262 0.3735 0.3735 0.5535 0.5535 0.7302 0.7302 1.0820 1.0820 1.2462 1.2462 1.3491 1.3491 1.4406 1.4406 1.6074 1.6074 1.7132 1.7132 1.7860 1.7860 1.9406 1.9406 2.0510 2.0510 2.2352 2.2352 2.4841 2.4841 2.7075 2.7075 2.7560 2.7560 3.2349 3.2349 4.7248 4.7248 5.1879 5.1879 5.4681 5.4681 5.6304 5.6304 6.1343 6.1343 8.6271 8.6271 8.7777 8.7777 k = 0.0000-0.1692 0.0957 ( 14236 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8398 -12.8398 -12.7016 -12.7016 -11.3827 -11.3827 -11.2182 -11.2182 -10.8244 -10.8244 -10.5501 -10.5501 -8.8246 -8.8246 -8.6808 -8.6808 -2.2700 -2.2700 -2.0010 -2.0010 -1.8772 -1.8772 -1.4442 -1.4442 -1.0113 -1.0113 -0.6419 -0.6419 0.2247 0.2247 0.3500 0.3500 0.5321 0.5321 0.7103 0.7103 1.0847 1.0847 1.2560 1.2560 1.3436 1.3436 1.4456 1.4456 1.6070 1.6070 1.7269 1.7269 1.7737 1.7737 1.9284 1.9284 2.0303 2.0303 2.2141 2.2141 2.4768 2.4768 2.7143 2.7143 2.7607 2.7607 3.2327 3.2327 4.7121 4.7121 5.2232 5.2232 5.5125 5.5125 5.6750 5.6750 6.1569 6.1569 8.6304 8.6304 8.7399 8.7399 k = 0.0000-0.1572 0.0888 ( 14241 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8448 -12.8448 -12.6989 -12.6989 -11.3714 -11.3714 -11.2238 -11.2238 -10.8170 -10.8170 -10.5569 -10.5569 -8.8372 -8.8372 -8.6766 -8.6766 -2.2637 -2.2637 -1.9886 -1.9886 -1.8668 -1.8668 -1.4252 -1.4252 -0.9974 -0.9974 -0.6561 -0.6561 0.2230 0.2230 0.3260 0.3260 0.5111 0.5111 0.6919 0.6919 1.0832 1.0832 1.2647 1.2647 1.3378 1.3378 1.4518 1.4518 1.6051 1.6051 1.7349 1.7349 1.7714 1.7714 1.9174 1.9174 2.0098 2.0098 2.1902 2.1902 2.4702 2.4702 2.7203 2.7203 2.7662 2.7662 3.2310 3.2310 4.7000 4.7000 5.2589 5.2589 5.5566 5.5566 5.7199 5.7199 6.1797 6.1797 8.6120 8.6120 8.7236 8.7236 k = 0.0000-0.1451 0.0820 ( 14237 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8498 -12.8498 -12.6962 -12.6962 -11.3600 -11.3600 -11.2295 -11.2295 -10.8095 -10.8095 -10.5635 -10.5635 -8.8499 -8.8499 -8.6724 -8.6724 -2.2575 -2.2575 -1.9751 -1.9751 -1.8567 -1.8567 -1.4052 -1.4052 -0.9844 -0.9844 -0.6703 -0.6703 0.2209 0.2209 0.3018 0.3018 0.4907 0.4907 0.6755 0.6755 1.0772 1.0772 1.2718 1.2718 1.3334 1.3334 1.4589 1.4589 1.6018 1.6018 1.7319 1.7319 1.7818 1.7818 1.9086 1.9086 1.9900 1.9900 2.1646 2.1646 2.4642 2.4642 2.7258 2.7258 2.7723 2.7723 3.2297 3.2297 4.6887 4.6887 5.2944 5.2944 5.5999 5.5999 5.7643 5.7643 6.2025 6.2025 8.5727 8.5727 8.7285 8.7285 k = 0.0000-0.1330 0.0752 ( 14244 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8547 -12.8547 -12.6935 -12.6935 -11.3487 -11.3487 -11.2353 -11.2353 -10.8022 -10.8022 -10.5700 -10.5700 -8.8625 -8.8625 -8.6683 -8.6683 -2.2516 -2.2516 -1.9609 -1.9609 -1.8470 -1.8470 -1.3844 -1.3844 -0.9727 -0.9727 -0.6841 -0.6841 0.2180 0.2180 0.2779 0.2779 0.4713 0.4713 0.6615 0.6615 1.0668 1.0668 1.2764 1.2764 1.3327 1.3327 1.4665 1.4665 1.5975 1.5975 1.7251 1.7251 1.7941 1.7941 1.9030 1.9030 1.9723 1.9723 2.1385 2.1385 2.4589 2.4589 2.7306 2.7306 2.7787 2.7787 3.2286 3.2286 4.6781 4.6781 5.3291 5.3291 5.6421 5.6421 5.8076 5.8076 6.2250 6.2250 8.5255 8.5255 8.7424 8.7424 k = 0.0000-0.1209 0.0683 ( 14246 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8594 -12.8594 -12.6909 -12.6909 -11.3376 -11.3376 -11.2410 -11.2410 -10.7953 -10.7953 -10.5760 -10.5760 -8.8750 -8.8750 -8.6643 -8.6643 -2.2461 -2.2461 -1.9460 -1.9460 -1.8377 -1.8377 -1.3631 -1.3631 -0.9627 -0.9627 -0.6972 -0.6972 0.2130 0.2130 0.2559 0.2559 0.4532 0.4532 0.6503 0.6503 1.0521 1.0521 1.2779 1.2779 1.3367 1.3367 1.4745 1.4745 1.5923 1.5923 1.7185 1.7185 1.8007 1.8007 1.8996 1.8996 1.9597 1.9597 2.1132 2.1132 2.4542 2.4542 2.7349 2.7349 2.7851 2.7851 3.2278 3.2278 4.6682 4.6682 5.3627 5.3627 5.6828 5.6828 5.8492 5.8492 6.2469 6.2469 8.4769 8.4769 8.7590 8.7590 k = 0.0000-0.1088 0.0615 ( 14261 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8638 -12.8638 -12.6884 -12.6884 -11.3268 -11.3268 -11.2465 -11.2465 -10.7890 -10.7890 -10.5815 -10.5815 -8.8870 -8.8870 -8.6605 -8.6605 -2.2410 -2.2410 -1.9307 -1.9307 -1.8289 -1.8289 -1.3416 -1.3416 -0.9549 -0.9549 -0.7092 -0.7092 0.2025 0.2025 0.2394 0.2394 0.4366 0.4366 0.6421 0.6421 1.0334 1.0334 1.2781 1.2781 1.3444 1.3444 1.4825 1.4825 1.5866 1.5866 1.7128 1.7128 1.7997 1.7997 1.8933 1.8933 1.9572 1.9572 2.0902 2.0902 2.4498 2.4498 2.7386 2.7386 2.7915 2.7915 3.2270 3.2270 4.6592 4.6592 5.3947 5.3947 5.7215 5.7215 5.8885 5.8885 6.2678 6.2678 8.4295 8.4295 8.7763 8.7763 k = 0.0000-0.0967 0.0547 ( 14260 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8679 -12.8679 -12.6860 -12.6860 -11.3165 -11.3165 -11.2518 -11.2518 -10.7834 -10.7834 -10.5863 -10.5863 -8.8984 -8.8984 -8.6570 -8.6570 -2.2364 -2.2364 -1.9153 -1.9153 -1.8208 -1.8208 -1.3203 -1.3203 -0.9495 -0.9495 -0.7197 -0.7197 0.1845 0.1845 0.2308 0.2308 0.4217 0.4217 0.6371 0.6371 1.0115 1.0115 1.2790 1.2790 1.3538 1.3538 1.4902 1.4902 1.5805 1.5805 1.7079 1.7079 1.7924 1.7924 1.8819 1.8819 1.9637 1.9637 2.0714 2.0714 2.4458 2.4458 2.7417 2.7417 2.7976 2.7976 3.2263 3.2263 4.6509 4.6509 5.4246 5.4246 5.7578 5.7578 5.9248 5.9248 6.2876 6.2876 8.3845 8.3845 8.7932 8.7932 k = 0.0000-0.0846 0.0478 ( 14264 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8716 -12.8716 -12.6838 -12.6838 -11.3069 -11.3069 -11.2567 -11.2567 -10.7786 -10.7786 -10.5904 -10.5904 -8.9090 -8.9090 -8.6537 -8.6537 -2.2323 -2.2323 -1.9002 -1.9002 -1.8135 -1.8135 -1.2998 -1.2998 -0.9465 -0.9465 -0.7285 -0.7285 0.1629 0.1629 0.2268 0.2268 0.4086 0.4086 0.6354 0.6354 0.9870 0.9870 1.2818 1.2818 1.3632 1.3632 1.4974 1.4974 1.5746 1.5746 1.7032 1.7032 1.7809 1.7809 1.8692 1.8692 1.9711 1.9711 2.0597 2.0597 2.4420 2.4420 2.7444 2.7444 2.8034 2.8034 3.2257 3.2257 4.6435 4.6435 5.4521 5.4521 5.7912 5.7912 5.9578 5.9578 6.3059 6.3059 8.3430 8.3430 8.8092 8.8092 k = 0.0000-0.0725 0.0410 ( 14257 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8750 -12.8750 -12.6818 -12.6818 -11.2982 -11.2982 -11.2611 -11.2611 -10.7747 -10.7747 -10.5937 -10.5937 -8.9186 -8.9186 -8.6508 -8.6508 -2.2288 -2.2288 -1.8858 -1.8858 -1.8069 -1.8069 -1.2804 -1.2804 -0.9459 -0.9459 -0.7355 -0.7355 0.1410 0.1410 0.2246 0.2246 0.3974 0.3974 0.6370 0.6370 0.9609 0.9609 1.2870 1.2870 1.3715 1.3715 1.5040 1.5040 1.5692 1.5692 1.6982 1.6982 1.7673 1.7673 1.8580 1.8580 1.9726 1.9726 2.0580 2.0580 2.4385 2.4385 2.7466 2.7466 2.8087 2.8087 3.2251 3.2251 4.6370 4.6370 5.4767 5.4767 5.8214 5.8214 5.9870 5.9870 6.3224 6.3224 8.3057 8.3057 8.8239 8.8239 k = 0.0000-0.0604 0.0342 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8779 -12.8779 -12.6801 -12.6801 -11.2905 -11.2905 -11.2650 -11.2650 -10.7716 -10.7716 -10.5963 -10.5963 -8.9271 -8.9271 -8.6482 -8.6482 -2.2259 -2.2259 -1.8724 -1.8724 -1.8012 -1.8012 -1.2627 -1.2627 -0.9472 -0.9472 -0.7406 -0.7406 0.1206 0.1206 0.2232 0.2232 0.3880 0.3880 0.6415 0.6415 0.9344 0.9344 1.2944 1.2944 1.3775 1.3775 1.5097 1.5097 1.5647 1.5647 1.6920 1.6920 1.7538 1.7538 1.8493 1.8493 1.9673 1.9673 2.0649 2.0649 2.4353 2.4353 2.7484 2.7484 2.8133 2.8133 3.2246 3.2246 4.6313 4.6313 5.4982 5.4982 5.8479 5.8479 6.0121 6.0121 6.3370 6.3370 8.2731 8.2731 8.8368 8.8368 k = 0.0000-0.0484 0.0273 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8803 -12.8803 -12.6786 -12.6786 -11.2839 -11.2839 -11.2682 -11.2682 -10.7694 -10.7694 -10.5981 -10.5981 -8.9342 -8.9342 -8.6461 -8.6461 -2.2235 -2.2235 -1.8606 -1.8606 -1.7965 -1.7965 -1.2473 -1.2473 -0.9497 -0.9497 -0.7443 -0.7443 0.1025 0.1025 0.2223 0.2223 0.3805 0.3805 0.6484 0.6484 0.9085 0.9085 1.3039 1.3039 1.3805 1.3805 1.5145 1.5145 1.5613 1.5613 1.6844 1.6844 1.7424 1.7424 1.8430 1.8430 1.9590 1.9590 2.0754 2.0754 2.4325 2.4325 2.7498 2.7498 2.8173 2.8173 3.2242 3.2242 4.6267 4.6267 5.5162 5.5162 5.8702 5.8702 6.0328 6.0328 6.3492 6.3492 8.2457 8.2457 8.8478 8.8478 k = 0.0000-0.0363 0.0205 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8822 -12.8822 -12.6774 -12.6774 -11.2786 -11.2786 -11.2708 -11.2708 -10.7679 -10.7679 -10.5993 -10.5993 -8.9399 -8.9399 -8.6444 -8.6444 -2.2216 -2.2216 -1.8509 -1.8509 -1.7929 -1.7929 -1.2346 -1.2346 -0.9527 -0.9527 -0.7467 -0.7467 0.0877 0.0877 0.2216 0.2216 0.3747 0.3747 0.6569 0.6569 0.8849 0.8849 1.3149 1.3149 1.3800 1.3800 1.5185 1.5185 1.5591 1.5591 1.6757 1.6757 1.7342 1.7342 1.8388 1.8388 1.9507 1.9507 2.0858 2.0858 2.4302 2.4302 2.7508 2.7508 2.8205 2.8205 3.2238 3.2238 4.6230 4.6230 5.5305 5.5305 5.8880 5.8880 6.0491 6.0491 6.3590 6.3590 8.2240 8.2240 8.8565 8.8565 k = 0.0000-0.0242 0.0137 ( 14253 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8836 -12.8836 -12.6766 -12.6766 -11.2748 -11.2748 -11.2727 -11.2727 -10.7670 -10.7670 -10.6001 -10.6001 -8.9441 -8.9441 -8.6432 -8.6432 -2.2203 -2.2203 -1.8435 -1.8435 -1.7902 -1.7902 -1.2251 -1.2251 -0.9555 -0.9555 -0.7481 -0.7481 0.0766 0.0766 0.2212 0.2212 0.3707 0.3707 0.6655 0.6655 0.8652 0.8652 1.3266 1.3266 1.3761 1.3761 1.5218 1.5218 1.5577 1.5577 1.6677 1.6677 1.7289 1.7289 1.8363 1.8363 1.9441 1.9441 2.0942 2.0942 2.4285 2.4285 2.7515 2.7515 2.8229 2.8229 3.2235 3.2235 4.6204 4.6204 5.5409 5.5409 5.9010 5.9010 6.0607 6.0607 6.3662 6.3662 8.2083 8.2083 8.8629 8.8629 k = 0.0000-0.0121 0.0068 ( 14252 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8844 -12.8844 -12.6760 -12.6760 -11.2739 -11.2739 -11.2724 -11.2724 -10.7665 -10.7665 -10.6004 -10.6004 -8.9466 -8.9466 -8.6424 -8.6424 -2.2195 -2.2195 -1.8390 -1.8390 -1.7887 -1.7887 -1.2193 -1.2193 -0.9575 -0.9575 -0.7489 -0.7489 0.0698 0.0698 0.2209 0.2209 0.3682 0.3682 0.6722 0.6722 0.8517 0.8517 1.3375 1.3375 1.3699 1.3699 1.5242 1.5242 1.5568 1.5568 1.6620 1.6620 1.7261 1.7261 1.8349 1.8349 1.9398 1.9398 2.0995 2.0995 2.4274 2.4274 2.7520 2.7520 2.8243 2.8243 3.2233 3.2233 4.6188 4.6188 5.5471 5.5471 5.9089 5.9089 6.0677 6.0677 6.3705 6.3705 8.1988 8.1988 8.8668 8.8668 k = 0.0000 0.0000 0.0000 ( 14255 PWs) bands (ev): -80.4324 -80.4324 -49.2983 -49.2983 -45.0817 -45.0817 -44.4912 -44.4912 -12.8847 -12.8847 -12.6759 -12.6759 -11.2743 -11.2743 -11.2716 -11.2716 -10.7663 -10.7663 -10.6006 -10.6006 -8.9475 -8.9475 -8.6422 -8.6422 -2.2193 -2.2193 -1.8374 -1.8374 -1.7881 -1.7881 -1.2173 -1.2173 -0.9582 -0.9582 -0.7491 -0.7491 0.0675 0.0675 0.2208 0.2208 0.3674 0.3674 0.6747 0.6747 0.8469 0.8469 1.3430 1.3430 1.3659 1.3659 1.5251 1.5251 1.5565 1.5565 1.6600 1.6600 1.7252 1.7252 1.8345 1.8345 1.9383 1.9383 2.1013 2.1013 2.4270 2.4270 2.7521 2.7521 2.8248 2.8248 3.2233 3.2233 4.6182 4.6182 5.5493 5.5493 5.9115 5.9115 6.0701 6.0701 6.3720 6.3720 8.1956 8.1956 8.8681 8.8681 Writing output data file PdxSeBr3x2.save init_run : 1.36s CPU 1.56s WALL ( 1 calls) electrons : 297.59s CPU 300.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 297.58s CPU 300.92s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 232 calls) cegterg : 271.04s CPU 273.38s WALL ( 232 calls) Called by sum_band: Called by *egterg: h_psi : 186.12s CPU 188.52s WALL ( 4175 calls) s_psi : 4.63s CPU 4.76s WALL ( 4175 calls) g_psi : 0.40s CPU 0.35s WALL ( 3711 calls) cdiaghg : 67.31s CPU 67.48s WALL ( 3943 calls) cegterg:over : 14.59s CPU 14.65s WALL ( 3711 calls) cegterg:upda : 10.63s CPU 10.73s WALL ( 3711 calls) cegterg:last : 7.36s CPU 7.37s WALL ( 696 calls) cdiaghg:chol : 3.01s CPU 2.97s WALL ( 3943 calls) cdiaghg:inve : 2.18s CPU 2.13s WALL ( 3943 calls) cdiaghg:para : 4.01s CPU 4.02s WALL ( 7886 calls) Called by h_psi: h_psi:vloc : 173.35s CPU 175.80s WALL ( 4175 calls) h_psi:vnl : 12.40s CPU 12.33s WALL ( 4175 calls) add_vuspsi : 5.50s CPU 5.49s WALL ( 4175 calls) General routines calbec : 6.88s CPU 6.83s WALL ( 4175 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 164.86s CPU 167.09s WALL ( 711832 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.26s CPU 0.45s WALL ( 464 calls) Parallel routines fft_scatter : 88.73s CPU 90.02s WALL ( 711855 calls) PWSCF : 5m52.10s CPU 6m18.16s WALL This run was terminated on: 4:31:51 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=