Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:48:58 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: ./Sr2Sb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 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 63 38 11 1469 688 108 Max 64 39 12 1474 704 110 Sum 4591 2793 813 105937 50187 7819 bravais-lattice index = 14 lattice parameter (alat) = 17.7517 a.u. unit-cell volume = 1469.3590 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.751711 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.858233 celldm(5)= -0.858233 celldm(6)= 0.716466 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.716466 0.697622 0.000000 ) a(3) = ( -0.858233 -0.348811 0.376519 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.027013 1.327953 ) b(2) = ( 0.000000 1.433442 1.327953 ) b(3) = ( 0.000000 0.000000 2.655906 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Sb 5.00 121.76000 Sb( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0295101), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0590201), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0885302), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.1180403), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.1475503), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.1770604), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.2065705), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.2360805), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.2655906), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.2951007), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.3246107), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.3541208), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.3836308), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.4131409), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.4426510), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.4721611), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.5016711), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.5311812), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.5606913), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.5902013), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.6197114), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.6492214), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.6787315), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.7082416), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.7377517), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.7672617), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.7967718), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.8262819), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.8557919), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.8853020), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.9148120), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.9443221), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.9738322), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 1.0033423), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 1.0328523), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 1.0623624), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 1.0918724), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 1.1213825), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 1.1508926), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 1.1804026), wk = 0.0036496 k( 42) = ( 0.0000000 0.0000000 1.2099127), wk = 0.0036496 k( 43) = ( 0.0000000 0.0000000 1.2394228), wk = 0.0036496 k( 44) = ( 0.0000000 0.0000000 1.2689329), wk = 0.0036496 k( 45) = ( 0.0000000 0.0000000 1.2984429), wk = 0.0036496 k( 46) = ( 0.0000000 0.0000000 1.3279530), wk = 0.0036496 k( 47) = ( 0.0000000 0.0000000 1.3279530), wk = 0.0036496 k( 48) = ( -0.0103240 0.0254018 1.3279530), wk = 0.0036496 k( 49) = ( -0.0206481 0.0508036 1.3279530), wk = 0.0036496 k( 50) = ( -0.0309721 0.0762054 1.3279530), wk = 0.0036496 k( 51) = ( -0.0412961 0.1016072 1.3279530), wk = 0.0036496 k( 52) = ( -0.0412961 0.1016072 1.3279530), wk = 0.0036496 k( 53) = ( -0.0492048 0.1210662 1.3069482), wk = 0.0036496 k( 54) = ( -0.0571135 0.1405252 1.2859435), wk = 0.0036496 k( 55) = ( -0.0650222 0.1599841 1.2649388), wk = 0.0036496 k( 56) = ( -0.0729309 0.1794431 1.2439341), wk = 0.0036496 k( 57) = ( -0.0808396 0.1989021 1.2229293), wk = 0.0036496 k( 58) = ( -0.0887483 0.2183610 1.2019246), wk = 0.0036496 k( 59) = ( -0.0966569 0.2378200 1.1809199), wk = 0.0036496 k( 60) = ( -0.1045656 0.2572790 1.1599151), wk = 0.0036496 k( 61) = ( -0.1124743 0.2767379 1.1389104), wk = 0.0036496 k( 62) = ( -0.1203830 0.2961969 1.1179057), wk = 0.0036496 k( 63) = ( -0.1282917 0.3156559 1.0969010), wk = 0.0036496 k( 64) = ( -0.1362004 0.3351148 1.0758962), wk = 0.0036496 k( 65) = ( -0.1441091 0.3545738 1.0548915), wk = 0.0036496 k( 66) = ( -0.1520178 0.3740328 1.0338868), wk = 0.0036496 k( 67) = ( -0.1599264 0.3934917 1.0128820), wk = 0.0036496 k( 68) = ( -0.1678351 0.4129507 0.9918773), wk = 0.0036496 k( 69) = ( -0.1757438 0.4324097 0.9708726), wk = 0.0036496 k( 70) = ( -0.1836525 0.4518686 0.9498678), wk = 0.0036496 k( 71) = ( -0.1915612 0.4713276 0.9288631), wk = 0.0036496 k( 72) = ( -0.1994699 0.4907866 0.9078584), wk = 0.0036496 k( 73) = ( -0.2073786 0.5102455 0.8868536), wk = 0.0036496 k( 74) = ( -0.2152873 0.5297045 0.8658489), wk = 0.0036496 k( 75) = ( -0.2231959 0.5491635 0.8448442), wk = 0.0036496 k( 76) = ( -0.2311046 0.5686224 0.8238395), wk = 0.0036496 k( 77) = ( -0.2390133 0.5880814 0.8028347), wk = 0.0036496 k( 78) = ( -0.2469220 0.6075404 0.7818300), wk = 0.0036496 k( 79) = ( -0.2548307 0.6269993 0.7608253), wk = 0.0036496 k( 80) = ( -0.2627394 0.6464583 0.7398205), wk = 0.0036496 k( 81) = ( -0.2706481 0.6659172 0.7188158), wk = 0.0036496 k( 82) = ( -0.2706481 0.6659172 0.7188158), wk = 0.0036496 k( 83) = ( -0.2626878 0.6463315 0.6976742), wk = 0.0036496 k( 84) = ( -0.2547276 0.6267457 0.6765325), wk = 0.0036496 k( 85) = ( -0.2467673 0.6071598 0.6553909), wk = 0.0036496 k( 86) = ( -0.2388071 0.5875740 0.6342492), wk = 0.0036496 k( 87) = ( -0.2308469 0.5679883 0.6131076), wk = 0.0036496 k( 88) = ( -0.2228866 0.5484024 0.5919660), wk = 0.0036496 k( 89) = ( -0.2149264 0.5288166 0.5708243), wk = 0.0036496 k( 90) = ( -0.2069662 0.5092308 0.5496827), wk = 0.0036496 k( 91) = ( -0.1990059 0.4896450 0.5285410), wk = 0.0036496 k( 92) = ( -0.1910457 0.4700592 0.5073994), wk = 0.0036496 k( 93) = ( -0.1830855 0.4504734 0.4862577), wk = 0.0036496 k( 94) = ( -0.1751252 0.4308876 0.4651161), wk = 0.0036496 k( 95) = ( -0.1671650 0.4113018 0.4439745), wk = 0.0036496 k( 96) = ( -0.1592047 0.3917160 0.4228328), wk = 0.0036496 k( 97) = ( -0.1512445 0.3721302 0.4016912), wk = 0.0036496 k( 98) = ( -0.1432843 0.3525444 0.3805495), wk = 0.0036496 k( 99) = ( -0.1353240 0.3329586 0.3594079), wk = 0.0036496 k( 100) = ( -0.1273638 0.3133728 0.3382662), wk = 0.0036496 k( 101) = ( -0.1194036 0.2937870 0.3171246), wk = 0.0036496 k( 102) = ( -0.1114433 0.2742012 0.2959830), wk = 0.0036496 k( 103) = ( -0.1034831 0.2546154 0.2748413), wk = 0.0036496 k( 104) = ( -0.0955229 0.2350296 0.2536997), wk = 0.0036496 k( 105) = ( -0.0875626 0.2154438 0.2325581), wk = 0.0036496 k( 106) = ( -0.0796024 0.1958580 0.2114164), wk = 0.0036496 k( 107) = ( -0.0716421 0.1762722 0.1902748), wk = 0.0036496 k( 108) = ( -0.0636819 0.1566864 0.1691331), wk = 0.0036496 k( 109) = ( -0.0557217 0.1371006 0.1479915), wk = 0.0036496 k( 110) = ( -0.0477614 0.1175148 0.1268498), wk = 0.0036496 k( 111) = ( -0.0398012 0.0979290 0.1057082), wk = 0.0036496 k( 112) = ( -0.0318409 0.0783432 0.0845666), wk = 0.0036496 k( 113) = ( -0.0238807 0.0587574 0.0634249), wk = 0.0036496 k( 114) = ( -0.0159205 0.0391716 0.0422833), wk = 0.0036496 k( 115) = ( -0.0079602 0.0195858 0.0211416), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 118) = ( 0.0263158 0.0106955 -0.0000000), wk = 0.0036496 k( 119) = ( 0.0526316 0.0213910 -0.0000000), wk = 0.0036496 k( 120) = ( 0.0789474 0.0320865 -0.0000000), wk = 0.0036496 k( 121) = ( 0.1052632 0.0427820 -0.0000000), wk = 0.0036496 k( 122) = ( 0.1315790 0.0534775 -0.0000000), wk = 0.0036496 k( 123) = ( 0.1578947 0.0641730 -0.0000000), wk = 0.0036496 k( 124) = ( 0.1842105 0.0748685 -0.0000000), wk = 0.0036496 k( 125) = ( 0.2105263 0.0855640 -0.0000000), wk = 0.0036496 k( 126) = ( 0.2368421 0.0962595 -0.0000000), wk = 0.0036496 k( 127) = ( 0.2631579 0.1069550 -0.0000000), wk = 0.0036496 k( 128) = ( 0.2894737 0.1176505 -0.0000000), wk = 0.0036496 k( 129) = ( 0.3157895 0.1283460 -0.0000000), wk = 0.0036496 k( 130) = ( 0.3421053 0.1390415 -0.0000000), wk = 0.0036496 k( 131) = ( 0.3684211 0.1497370 -0.0000000), wk = 0.0036496 k( 132) = ( 0.3947368 0.1604325 -0.0000000), wk = 0.0036496 k( 133) = ( 0.4210526 0.1711280 -0.0000000), wk = 0.0036496 k( 134) = ( 0.4473684 0.1818235 -0.0000000), wk = 0.0036496 k( 135) = ( 0.4736842 0.1925190 -0.0000000), wk = 0.0036496 k( 136) = ( 0.5000000 0.2032145 -0.0000000), wk = 0.0036496 k( 137) = ( 0.5000000 0.2032145 -0.0000000), wk = 0.0036496 k( 138) = ( 0.4920913 0.2226735 0.0210047), wk = 0.0036496 k( 139) = ( 0.4841826 0.2421324 0.0420094), wk = 0.0036496 k( 140) = ( 0.4762739 0.2615914 0.0630142), wk = 0.0036496 k( 141) = ( 0.4683653 0.2810503 0.0840189), wk = 0.0036496 k( 142) = ( 0.4604566 0.3005093 0.1050237), wk = 0.0036496 k( 143) = ( 0.4525479 0.3199683 0.1260284), wk = 0.0036496 k( 144) = ( 0.4446392 0.3394272 0.1470331), wk = 0.0036496 k( 145) = ( 0.4367305 0.3588862 0.1680378), wk = 0.0036496 k( 146) = ( 0.4288218 0.3783452 0.1890426), wk = 0.0036496 k( 147) = ( 0.4209131 0.3978041 0.2100473), wk = 0.0036496 k( 148) = ( 0.4130044 0.4172631 0.2310520), wk = 0.0036496 k( 149) = ( 0.4050957 0.4367221 0.2520568), wk = 0.0036496 k( 150) = ( 0.3971871 0.4561810 0.2730615), wk = 0.0036496 k( 151) = ( 0.3892784 0.4756400 0.2940662), wk = 0.0036496 k( 152) = ( 0.3813697 0.4950990 0.3150709), wk = 0.0036496 k( 153) = ( 0.3734610 0.5145579 0.3360757), wk = 0.0036496 k( 154) = ( 0.3655523 0.5340169 0.3570804), wk = 0.0036496 k( 155) = ( 0.3576436 0.5534759 0.3780851), wk = 0.0036496 k( 156) = ( 0.3497349 0.5729348 0.3990899), wk = 0.0036496 k( 157) = ( 0.3418262 0.5923938 0.4200946), wk = 0.0036496 k( 158) = ( 0.3339176 0.6118528 0.4410993), wk = 0.0036496 k( 159) = ( 0.3260089 0.6313117 0.4621041), wk = 0.0036496 k( 160) = ( 0.3181002 0.6507707 0.4831088), wk = 0.0036496 k( 161) = ( 0.3101915 0.6702297 0.5041135), wk = 0.0036496 k( 162) = ( 0.3022828 0.6896886 0.5251183), wk = 0.0036496 k( 163) = ( 0.2943741 0.7091476 0.5461230), wk = 0.0036496 k( 164) = ( 0.2864654 0.7286066 0.5671277), wk = 0.0036496 k( 165) = ( 0.2785568 0.7480655 0.5881324), wk = 0.0036496 k( 166) = ( 0.2706481 0.7675245 0.6091372), wk = 0.0036496 k( 167) = ( 0.2706481 0.7675245 0.6091372), wk = 0.0036496 k( 168) = ( 0.2435833 0.7624441 0.6146211), wk = 0.0036496 k( 169) = ( 0.2165185 0.7573638 0.6201050), wk = 0.0036496 k( 170) = ( 0.1894536 0.7522834 0.6255890), wk = 0.0036496 k( 171) = ( 0.1623888 0.7472030 0.6310729), wk = 0.0036496 k( 172) = ( 0.1353240 0.7421227 0.6365568), wk = 0.0036496 k( 173) = ( 0.1082592 0.7370423 0.6420408), wk = 0.0036496 k( 174) = ( 0.0811944 0.7319620 0.6475247), wk = 0.0036496 k( 175) = ( 0.0541296 0.7268816 0.6530086), wk = 0.0036496 k( 176) = ( 0.0270648 0.7218012 0.6584925), wk = 0.0036496 k( 177) = ( 0.0000000 0.7167209 0.6639765), wk = 0.0036496 k( 178) = ( 0.0000000 0.7167209 0.6639765), wk = 0.0036496 k( 179) = ( 0.0078125 0.6974986 0.6847258), wk = 0.0036496 k( 180) = ( 0.0156250 0.6782763 0.7054750), wk = 0.0036496 k( 181) = ( 0.0234375 0.6590540 0.7262243), wk = 0.0036496 k( 182) = ( 0.0312500 0.6398317 0.7469736), wk = 0.0036496 k( 183) = ( 0.0390625 0.6206094 0.7677228), wk = 0.0036496 k( 184) = ( 0.0468750 0.6013871 0.7884721), wk = 0.0036496 k( 185) = ( 0.0546875 0.5821648 0.8092213), wk = 0.0036496 k( 186) = ( 0.0625000 0.5629425 0.8299706), wk = 0.0036496 k( 187) = ( 0.0703125 0.5437202 0.8507199), wk = 0.0036496 k( 188) = ( 0.0781250 0.5244979 0.8714691), wk = 0.0036496 k( 189) = ( 0.0859375 0.5052756 0.8922184), wk = 0.0036496 k( 190) = ( 0.0937500 0.4860533 0.9129677), wk = 0.0036496 k( 191) = ( 0.1015625 0.4668310 0.9337169), wk = 0.0036496 k( 192) = ( 0.1093750 0.4476087 0.9544662), wk = 0.0036496 k( 193) = ( 0.1171875 0.4283864 0.9752155), wk = 0.0036496 k( 194) = ( 0.1250000 0.4091641 0.9959647), wk = 0.0036496 k( 195) = ( 0.1328125 0.3899418 1.0167140), wk = 0.0036496 k( 196) = ( 0.1406250 0.3707195 1.0374633), wk = 0.0036496 k( 197) = ( 0.1484375 0.3514972 1.0582125), wk = 0.0036496 k( 198) = ( 0.1562500 0.3322749 1.0789618), wk = 0.0036496 k( 199) = ( 0.1640625 0.3130526 1.0997111), wk = 0.0036496 k( 200) = ( 0.1718750 0.2938303 1.1204603), wk = 0.0036496 k( 201) = ( 0.1796875 0.2746080 1.1412096), wk = 0.0036496 k( 202) = ( 0.1875000 0.2553857 1.1619589), wk = 0.0036496 k( 203) = ( 0.1953125 0.2361633 1.1827081), wk = 0.0036496 k( 204) = ( 0.2031250 0.2169410 1.2034574), wk = 0.0036496 k( 205) = ( 0.2109375 0.1977187 1.2242067), wk = 0.0036496 k( 206) = ( 0.2187500 0.1784964 1.2449559), wk = 0.0036496 k( 207) = ( 0.2265625 0.1592741 1.2657052), wk = 0.0036496 k( 208) = ( 0.2343750 0.1400518 1.2864544), wk = 0.0036496 k( 209) = ( 0.2421875 0.1208295 1.3072037), wk = 0.0036496 k( 210) = ( 0.2500000 0.1016072 1.3279530), wk = 0.0036496 k( 211) = ( 0.2500000 0.1016072 1.3279530), wk = 0.0036496 k( 212) = ( 0.2750000 0.1117680 1.3169851), wk = 0.0036496 k( 213) = ( 0.3000000 0.1219287 1.3060172), wk = 0.0036496 k( 214) = ( 0.3250000 0.1320894 1.2950494), wk = 0.0036496 k( 215) = ( 0.3500000 0.1422501 1.2840815), wk = 0.0036496 k( 216) = ( 0.3750000 0.1524109 1.2731137), wk = 0.0036496 k( 217) = ( 0.4000000 0.1625716 1.2621458), wk = 0.0036496 k( 218) = ( 0.4250000 0.1727323 1.2511779), wk = 0.0036496 k( 219) = ( 0.4500000 0.1828930 1.2402101), wk = 0.0036496 k( 220) = ( 0.4750000 0.1930538 1.2292422), wk = 0.0036496 k( 221) = ( 0.5000000 0.2032145 1.2182743), wk = 0.0036496 k( 222) = ( 0.5000000 0.2032145 1.2182743), wk = 0.0036496 k( 223) = ( 0.5000000 0.2032145 1.1885603), wk = 0.0036496 k( 224) = ( 0.5000000 0.2032145 1.1588463), wk = 0.0036496 k( 225) = ( 0.5000000 0.2032145 1.1291323), wk = 0.0036496 k( 226) = ( 0.5000000 0.2032145 1.0994183), wk = 0.0036496 k( 227) = ( 0.5000000 0.2032145 1.0697043), wk = 0.0036496 k( 228) = ( 0.5000000 0.2032145 1.0399903), wk = 0.0036496 k( 229) = ( 0.5000000 0.2032145 1.0102763), wk = 0.0036496 k( 230) = ( 0.5000000 0.2032145 0.9805623), wk = 0.0036496 k( 231) = ( 0.5000000 0.2032145 0.9508483), wk = 0.0036496 k( 232) = ( 0.5000000 0.2032145 0.9211343), wk = 0.0036496 k( 233) = ( 0.5000000 0.2032145 0.8914203), wk = 0.0036496 k( 234) = ( 0.5000000 0.2032145 0.8617062), wk = 0.0036496 k( 235) = ( 0.5000000 0.2032145 0.8319922), wk = 0.0036496 k( 236) = ( 0.5000000 0.2032145 0.8022782), wk = 0.0036496 k( 237) = ( 0.5000000 0.2032145 0.7725642), wk = 0.0036496 k( 238) = ( 0.5000000 0.2032145 0.7428502), wk = 0.0036496 k( 239) = ( 0.5000000 0.2032145 0.7131362), wk = 0.0036496 k( 240) = ( 0.5000000 0.2032145 0.6834222), wk = 0.0036496 k( 241) = ( 0.5000000 0.2032145 0.6537082), wk = 0.0036496 k( 242) = ( 0.5000000 0.2032145 0.6239942), wk = 0.0036496 k( 243) = ( 0.5000000 0.2032145 0.5942802), wk = 0.0036496 k( 244) = ( 0.5000000 0.2032145 0.5645662), wk = 0.0036496 k( 245) = ( 0.5000000 0.2032145 0.5348522), wk = 0.0036496 k( 246) = ( 0.5000000 0.2032145 0.5051381), wk = 0.0036496 k( 247) = ( 0.5000000 0.2032145 0.4754241), wk = 0.0036496 k( 248) = ( 0.5000000 0.2032145 0.4457101), wk = 0.0036496 k( 249) = ( 0.5000000 0.2032145 0.4159961), wk = 0.0036496 k( 250) = ( 0.5000000 0.2032145 0.3862821), wk = 0.0036496 k( 251) = ( 0.5000000 0.2032145 0.3565681), wk = 0.0036496 k( 252) = ( 0.5000000 0.2032145 0.3268541), wk = 0.0036496 k( 253) = ( 0.5000000 0.2032145 0.2971401), wk = 0.0036496 k( 254) = ( 0.5000000 0.2032145 0.2674261), wk = 0.0036496 k( 255) = ( 0.5000000 0.2032145 0.2377121), wk = 0.0036496 k( 256) = ( 0.5000000 0.2032145 0.2079981), wk = 0.0036496 k( 257) = ( 0.5000000 0.2032145 0.1782841), wk = 0.0036496 k( 258) = ( 0.5000000 0.2032145 0.1485701), wk = 0.0036496 k( 259) = ( 0.5000000 0.2032145 0.1188560), wk = 0.0036496 k( 260) = ( 0.5000000 0.2032145 0.0891420), wk = 0.0036496 k( 261) = ( 0.5000000 0.2032145 0.0594280), wk = 0.0036496 k( 262) = ( 0.5000000 0.2032145 0.0297140), wk = 0.0036496 k( 263) = ( 0.5000000 0.2032145 -0.0000000), wk = 0.0036496 k( 264) = ( 0.0000000 0.0000000 1.3279530), wk = 0.0036496 k( 265) = ( 0.0250000 0.0101607 1.3279530), wk = 0.0036496 k( 266) = ( 0.0500000 0.0203214 1.3279530), wk = 0.0036496 k( 267) = ( 0.0750000 0.0304822 1.3279530), wk = 0.0036496 k( 268) = ( 0.1000000 0.0406429 1.3279530), wk = 0.0036496 k( 269) = ( 0.1250000 0.0508036 1.3279530), wk = 0.0036496 k( 270) = ( 0.1500000 0.0609643 1.3279530), wk = 0.0036496 k( 271) = ( 0.1750000 0.0711251 1.3279530), wk = 0.0036496 k( 272) = ( 0.2000000 0.0812858 1.3279530), wk = 0.0036496 k( 273) = ( 0.2250000 0.0914465 1.3279530), wk = 0.0036496 k( 274) = ( 0.2500000 0.1016072 1.3279530), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0036496 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0036496 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0036496 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0036496 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0036496 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 48) = ( -0.0103240 0.0103240 0.5000000), wk = 0.0036496 k( 49) = ( -0.0206481 0.0206481 0.5000000), wk = 0.0036496 k( 50) = ( -0.0309721 0.0309721 0.5000000), wk = 0.0036496 k( 51) = ( -0.0412961 0.0412961 0.5000000), wk = 0.0036496 k( 52) = ( -0.0412961 0.0412961 0.5000000), wk = 0.0036496 k( 53) = ( -0.0492048 0.0492048 0.4920913), wk = 0.0036496 k( 54) = ( -0.0571135 0.0571135 0.4841826), wk = 0.0036496 k( 55) = ( -0.0650222 0.0650222 0.4762739), wk = 0.0036496 k( 56) = ( -0.0729309 0.0729309 0.4683652), wk = 0.0036496 k( 57) = ( -0.0808396 0.0808396 0.4604566), wk = 0.0036496 k( 58) = ( -0.0887483 0.0887482 0.4525479), wk = 0.0036496 k( 59) = ( -0.0966569 0.0966569 0.4446392), wk = 0.0036496 k( 60) = ( -0.1045656 0.1045656 0.4367305), wk = 0.0036496 k( 61) = ( -0.1124743 0.1124743 0.4288218), wk = 0.0036496 k( 62) = ( -0.1203830 0.1203830 0.4209131), wk = 0.0036496 k( 63) = ( -0.1282917 0.1282917 0.4130044), wk = 0.0036496 k( 64) = ( -0.1362004 0.1362004 0.4050957), wk = 0.0036496 k( 65) = ( -0.1441091 0.1441091 0.3971871), wk = 0.0036496 k( 66) = ( -0.1520178 0.1520177 0.3892784), wk = 0.0036496 k( 67) = ( -0.1599264 0.1599264 0.3813697), wk = 0.0036496 k( 68) = ( -0.1678351 0.1678351 0.3734610), wk = 0.0036496 k( 69) = ( -0.1757438 0.1757438 0.3655523), wk = 0.0036496 k( 70) = ( -0.1836525 0.1836525 0.3576436), wk = 0.0036496 k( 71) = ( -0.1915612 0.1915612 0.3497349), wk = 0.0036496 k( 72) = ( -0.1994699 0.1994699 0.3418262), wk = 0.0036496 k( 73) = ( -0.2073786 0.2073786 0.3339176), wk = 0.0036496 k( 74) = ( -0.2152873 0.2152872 0.3260089), wk = 0.0036496 k( 75) = ( -0.2231959 0.2231959 0.3181002), wk = 0.0036496 k( 76) = ( -0.2311046 0.2311046 0.3101915), wk = 0.0036496 k( 77) = ( -0.2390133 0.2390133 0.3022828), wk = 0.0036496 k( 78) = ( -0.2469220 0.2469220 0.2943741), wk = 0.0036496 k( 79) = ( -0.2548307 0.2548307 0.2864654), wk = 0.0036496 k( 80) = ( -0.2627394 0.2627394 0.2785568), wk = 0.0036496 k( 81) = ( -0.2706481 0.2706481 0.2706481), wk = 0.0036496 k( 82) = ( -0.2706481 0.2706481 0.2706481), wk = 0.0036496 k( 83) = ( -0.2626878 0.2626878 0.2626878), wk = 0.0036496 k( 84) = ( -0.2547276 0.2547276 0.2547276), wk = 0.0036496 k( 85) = ( -0.2467673 0.2467674 0.2467673), wk = 0.0036496 k( 86) = ( -0.2388071 0.2388071 0.2388071), wk = 0.0036496 k( 87) = ( -0.2308469 0.2308469 0.2308469), wk = 0.0036496 k( 88) = ( -0.2228866 0.2228866 0.2228866), wk = 0.0036496 k( 89) = ( -0.2149264 0.2149264 0.2149264), wk = 0.0036496 k( 90) = ( -0.2069662 0.2069662 0.2069662), wk = 0.0036496 k( 91) = ( -0.1990059 0.1990059 0.1990059), wk = 0.0036496 k( 92) = ( -0.1910457 0.1910457 0.1910457), wk = 0.0036496 k( 93) = ( -0.1830855 0.1830855 0.1830854), wk = 0.0036496 k( 94) = ( -0.1751252 0.1751252 0.1751252), wk = 0.0036496 k( 95) = ( -0.1671650 0.1671650 0.1671650), wk = 0.0036496 k( 96) = ( -0.1592047 0.1592047 0.1592047), wk = 0.0036496 k( 97) = ( -0.1512445 0.1512445 0.1512445), wk = 0.0036496 k( 98) = ( -0.1432843 0.1432843 0.1432843), wk = 0.0036496 k( 99) = ( -0.1353240 0.1353240 0.1353240), wk = 0.0036496 k( 100) = ( -0.1273638 0.1273638 0.1273638), wk = 0.0036496 k( 101) = ( -0.1194036 0.1194036 0.1194036), wk = 0.0036496 k( 102) = ( -0.1114433 0.1114433 0.1114433), wk = 0.0036496 k( 103) = ( -0.1034831 0.1034831 0.1034831), wk = 0.0036496 k( 104) = ( -0.0955229 0.0955229 0.0955228), wk = 0.0036496 k( 105) = ( -0.0875626 0.0875626 0.0875626), wk = 0.0036496 k( 106) = ( -0.0796024 0.0796024 0.0796024), wk = 0.0036496 k( 107) = ( -0.0716421 0.0716421 0.0716421), wk = 0.0036496 k( 108) = ( -0.0636819 0.0636819 0.0636819), wk = 0.0036496 k( 109) = ( -0.0557217 0.0557217 0.0557217), wk = 0.0036496 k( 110) = ( -0.0477614 0.0477614 0.0477614), wk = 0.0036496 k( 111) = ( -0.0398012 0.0398012 0.0398012), wk = 0.0036496 k( 112) = ( -0.0318409 0.0318409 0.0318409), wk = 0.0036496 k( 113) = ( -0.0238807 0.0238807 0.0238807), wk = 0.0036496 k( 114) = ( -0.0159205 0.0159205 0.0159205), wk = 0.0036496 k( 115) = ( -0.0079602 0.0079602 0.0079602), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 118) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0036496 k( 119) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0036496 k( 120) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0036496 k( 121) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0036496 k( 122) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0036496 k( 123) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0036496 k( 124) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0036496 k( 125) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0036496 k( 126) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0036496 k( 127) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0036496 k( 128) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0036496 k( 129) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0036496 k( 130) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0036496 k( 131) = ( 0.3684211 0.3684211 -0.3684210), wk = 0.0036496 k( 132) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0036496 k( 133) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0036496 k( 134) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0036496 k( 135) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0036496 k( 136) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 137) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 138) = ( 0.4920913 0.5079087 -0.4920913), wk = 0.0036496 k( 139) = ( 0.4841826 0.5158174 -0.4841826), wk = 0.0036496 k( 140) = ( 0.4762739 0.5237261 -0.4762739), wk = 0.0036496 k( 141) = ( 0.4683653 0.5316348 -0.4683653), wk = 0.0036496 k( 142) = ( 0.4604566 0.5395434 -0.4604566), wk = 0.0036496 k( 143) = ( 0.4525479 0.5474521 -0.4525479), wk = 0.0036496 k( 144) = ( 0.4446392 0.5553608 -0.4446392), wk = 0.0036496 k( 145) = ( 0.4367305 0.5632695 -0.4367305), wk = 0.0036496 k( 146) = ( 0.4288218 0.5711782 -0.4288218), wk = 0.0036496 k( 147) = ( 0.4209131 0.5790869 -0.4209131), wk = 0.0036496 k( 148) = ( 0.4130044 0.5869956 -0.4130044), wk = 0.0036496 k( 149) = ( 0.4050957 0.5949043 -0.4050957), wk = 0.0036496 k( 150) = ( 0.3971871 0.6028129 -0.3971871), wk = 0.0036496 k( 151) = ( 0.3892784 0.6107216 -0.3892784), wk = 0.0036496 k( 152) = ( 0.3813697 0.6186303 -0.3813697), wk = 0.0036496 k( 153) = ( 0.3734610 0.6265390 -0.3734610), wk = 0.0036496 k( 154) = ( 0.3655523 0.6344477 -0.3655523), wk = 0.0036496 k( 155) = ( 0.3576436 0.6423564 -0.3576436), wk = 0.0036496 k( 156) = ( 0.3497349 0.6502651 -0.3497349), wk = 0.0036496 k( 157) = ( 0.3418262 0.6581738 -0.3418262), wk = 0.0036496 k( 158) = ( 0.3339176 0.6660824 -0.3339176), wk = 0.0036496 k( 159) = ( 0.3260089 0.6739911 -0.3260089), wk = 0.0036496 k( 160) = ( 0.3181002 0.6818998 -0.3181002), wk = 0.0036496 k( 161) = ( 0.3101915 0.6898085 -0.3101915), wk = 0.0036496 k( 162) = ( 0.3022828 0.6977172 -0.3022828), wk = 0.0036496 k( 163) = ( 0.2943741 0.7056259 -0.2943741), wk = 0.0036496 k( 164) = ( 0.2864654 0.7135346 -0.2864654), wk = 0.0036496 k( 165) = ( 0.2785568 0.7214432 -0.2785568), wk = 0.0036496 k( 166) = ( 0.2706481 0.7293519 -0.2706481), wk = 0.0036496 k( 167) = ( 0.2706481 0.7293519 -0.2706481), wk = 0.0036496 k( 168) = ( 0.2435833 0.7064167 -0.2435833), wk = 0.0036496 k( 169) = ( 0.2165185 0.6834815 -0.2165184), wk = 0.0036496 k( 170) = ( 0.1894536 0.6605464 -0.1894536), wk = 0.0036496 k( 171) = ( 0.1623888 0.6376112 -0.1623888), wk = 0.0036496 k( 172) = ( 0.1353240 0.6146760 -0.1353240), wk = 0.0036496 k( 173) = ( 0.1082592 0.5917408 -0.1082592), wk = 0.0036496 k( 174) = ( 0.0811944 0.5688056 -0.0811944), wk = 0.0036496 k( 175) = ( 0.0541296 0.5458704 -0.0541296), wk = 0.0036496 k( 176) = ( 0.0270648 0.5229352 -0.0270648), wk = 0.0036496 k( 177) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036496 k( 178) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036496 k( 179) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0036496 k( 180) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0036496 k( 181) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0036496 k( 182) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0036496 k( 183) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0036496 k( 184) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0036496 k( 185) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0036496 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036496 k( 187) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0036496 k( 188) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0036496 k( 189) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0036496 k( 190) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0036496 k( 191) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0036496 k( 192) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0036496 k( 193) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0036496 k( 194) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036496 k( 195) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0036496 k( 196) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0036496 k( 197) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0036496 k( 198) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0036496 k( 199) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0036496 k( 200) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0036496 k( 201) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0036496 k( 202) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036496 k( 203) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0036496 k( 204) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0036496 k( 205) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0036496 k( 206) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0036496 k( 207) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0036496 k( 208) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0036496 k( 209) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0036496 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 212) = ( 0.2750000 0.2750000 0.2208704), wk = 0.0036496 k( 213) = ( 0.3000000 0.3000000 0.1917408), wk = 0.0036496 k( 214) = ( 0.3250000 0.3250000 0.1626112), wk = 0.0036496 k( 215) = ( 0.3500000 0.3500000 0.1334816), wk = 0.0036496 k( 216) = ( 0.3750000 0.3750000 0.1043519), wk = 0.0036496 k( 217) = ( 0.4000000 0.4000000 0.0752223), wk = 0.0036496 k( 218) = ( 0.4250000 0.4250000 0.0460927), wk = 0.0036496 k( 219) = ( 0.4500000 0.4500000 0.0169631), wk = 0.0036496 k( 220) = ( 0.4750000 0.4750000 -0.0121665), wk = 0.0036496 k( 221) = ( 0.5000000 0.5000000 -0.0412961), wk = 0.0036496 k( 222) = ( 0.5000000 0.5000000 -0.0412961), wk = 0.0036496 k( 223) = ( 0.5000000 0.5000000 -0.0524840), wk = 0.0036496 k( 224) = ( 0.5000000 0.5000000 -0.0636719), wk = 0.0036496 k( 225) = ( 0.5000000 0.5000000 -0.0748598), wk = 0.0036496 k( 226) = ( 0.5000000 0.5000000 -0.0860477), wk = 0.0036496 k( 227) = ( 0.5000000 0.5000000 -0.0972356), wk = 0.0036496 k( 228) = ( 0.5000000 0.5000000 -0.1084235), wk = 0.0036496 k( 229) = ( 0.5000000 0.5000000 -0.1196114), wk = 0.0036496 k( 230) = ( 0.5000000 0.5000000 -0.1307993), wk = 0.0036496 k( 231) = ( 0.5000000 0.5000000 -0.1419872), wk = 0.0036496 k( 232) = ( 0.5000000 0.5000000 -0.1531751), wk = 0.0036496 k( 233) = ( 0.5000000 0.5000000 -0.1643630), wk = 0.0036496 k( 234) = ( 0.5000000 0.5000000 -0.1755509), wk = 0.0036496 k( 235) = ( 0.5000000 0.5000000 -0.1867388), wk = 0.0036496 k( 236) = ( 0.5000000 0.5000000 -0.1979267), wk = 0.0036496 k( 237) = ( 0.5000000 0.5000000 -0.2091146), wk = 0.0036496 k( 238) = ( 0.5000000 0.5000000 -0.2203025), wk = 0.0036496 k( 239) = ( 0.5000000 0.5000000 -0.2314904), wk = 0.0036496 k( 240) = ( 0.5000000 0.5000000 -0.2426783), wk = 0.0036496 k( 241) = ( 0.5000000 0.5000000 -0.2538662), wk = 0.0036496 k( 242) = ( 0.5000000 0.5000000 -0.2650541), wk = 0.0036496 k( 243) = ( 0.5000000 0.5000000 -0.2762420), wk = 0.0036496 k( 244) = ( 0.5000000 0.5000000 -0.2874299), wk = 0.0036496 k( 245) = ( 0.5000000 0.5000000 -0.2986178), wk = 0.0036496 k( 246) = ( 0.5000000 0.5000000 -0.3098057), wk = 0.0036496 k( 247) = ( 0.5000000 0.5000000 -0.3209936), wk = 0.0036496 k( 248) = ( 0.5000000 0.5000000 -0.3321815), wk = 0.0036496 k( 249) = ( 0.5000000 0.5000000 -0.3433694), wk = 0.0036496 k( 250) = ( 0.5000000 0.5000000 -0.3545573), wk = 0.0036496 k( 251) = ( 0.5000000 0.5000000 -0.3657452), wk = 0.0036496 k( 252) = ( 0.5000000 0.5000000 -0.3769331), wk = 0.0036496 k( 253) = ( 0.5000000 0.5000000 -0.3881210), wk = 0.0036496 k( 254) = ( 0.5000000 0.5000000 -0.3993089), wk = 0.0036496 k( 255) = ( 0.5000000 0.5000000 -0.4104968), wk = 0.0036496 k( 256) = ( 0.5000000 0.5000000 -0.4216847), wk = 0.0036496 k( 257) = ( 0.5000000 0.5000000 -0.4328726), wk = 0.0036496 k( 258) = ( 0.5000000 0.5000000 -0.4440605), wk = 0.0036496 k( 259) = ( 0.5000000 0.5000000 -0.4552484), wk = 0.0036496 k( 260) = ( 0.5000000 0.5000000 -0.4664363), wk = 0.0036496 k( 261) = ( 0.5000000 0.5000000 -0.4776242), wk = 0.0036496 k( 262) = ( 0.5000000 0.5000000 -0.4888121), wk = 0.0036496 k( 263) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 265) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0036496 k( 266) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036496 k( 267) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0036496 k( 268) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036496 k( 269) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036496 k( 270) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036496 k( 271) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0036496 k( 272) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036496 k( 273) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0036496 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 Dense grid: 105937 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 50187 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 188, 60) NL pseudopotentials 0.29 Mb ( 94, 204) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.01 Mb ( 1470) G-vector shells 0.01 Mb ( 725) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 188, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.37 Mb ( 204, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Sr2Sb.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 9.1 secs Computing kpt #: 6 total cpu time spent up to now is 10.4 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.0 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.6 secs Computing kpt #: 11 total cpu time spent up to now is 16.8 secs Computing kpt #: 12 total cpu time spent up to now is 17.9 secs Computing kpt #: 13 total cpu time spent up to now is 19.1 secs Computing kpt #: 14 total cpu time spent up to now is 20.2 secs Computing kpt #: 15 total cpu time spent up to now is 21.4 secs Computing kpt #: 16 total cpu time spent up to now is 22.5 secs Computing kpt #: 17 total cpu time spent up to now is 23.7 secs Computing kpt #: 18 total cpu time spent up to now is 25.0 secs Computing kpt #: 19 total cpu time spent up to now is 26.5 secs Computing kpt #: 20 total cpu time spent up to now is 28.1 secs Computing kpt #: 21 total cpu time spent up to now is 29.4 secs Computing kpt #: 22 total cpu time spent up to now is 31.0 secs Computing kpt #: 23 total cpu time spent up to now is 32.3 secs Computing kpt #: 24 total cpu time spent up to now is 33.5 secs Computing kpt #: 25 total cpu time spent up to now is 34.6 secs Computing kpt #: 26 total cpu time spent up to now is 35.7 secs Computing kpt #: 27 total cpu time spent up to now is 36.7 secs Computing kpt #: 28 total cpu time spent up to now is 37.7 secs Computing kpt #: 29 total cpu time spent up to now is 38.7 secs Computing kpt #: 30 total cpu time spent up to now is 39.8 secs Computing kpt #: 31 total cpu time spent up to now is 40.8 secs Computing kpt #: 32 total cpu time spent up to now is 41.8 secs Computing kpt #: 33 total cpu time spent up to now is 42.8 secs Computing kpt #: 34 total cpu time spent up to now is 43.9 secs Computing kpt #: 35 total cpu time spent up to now is 44.9 secs Computing kpt #: 36 total cpu time spent up to now is 46.9 secs Computing kpt #: 37 total cpu time spent up to now is 48.0 secs Computing kpt #: 38 total cpu time spent up to now is 49.2 secs Computing kpt #: 39 total cpu time spent up to now is 50.4 secs Computing kpt #: 40 total cpu time spent up to now is 51.5 secs Computing kpt #: 41 total cpu time spent up to now is 52.7 secs Computing kpt #: 42 total cpu time spent up to now is 53.9 secs Computing kpt #: 43 total cpu time spent up to now is 55.1 secs Computing kpt #: 44 total cpu time spent up to now is 56.3 secs Computing kpt #: 45 total cpu time spent up to now is 57.5 secs Computing kpt #: 46 total cpu time spent up to now is 58.7 secs Computing kpt #: 47 total cpu time spent up to now is 59.8 secs Computing kpt #: 48 total cpu time spent up to now is 61.0 secs Computing kpt #: 49 total cpu time spent up to now is 62.2 secs Computing kpt #: 50 total cpu time spent up to now is 63.5 secs Computing kpt #: 51 total cpu time spent up to now is 64.7 secs Computing kpt #: 52 total cpu time spent up to now is 65.9 secs Computing kpt #: 53 total cpu time spent up to now is 67.1 secs Computing kpt #: 54 total cpu time spent up to now is 68.3 secs Computing kpt #: 55 total cpu time spent up to now is 69.5 secs Computing kpt #: 56 total cpu time spent up to now is 70.7 secs Computing kpt #: 57 total cpu time spent up to now is 71.9 secs Computing kpt #: 58 total cpu time spent up to now is 73.1 secs Computing kpt #: 59 total cpu time spent up to now is 74.2 secs Computing kpt #: 60 total cpu time spent up to now is 75.3 secs Computing kpt #: 61 total cpu time spent up to now is 76.5 secs Computing kpt #: 62 total cpu time spent up to now is 77.7 secs Computing kpt #: 63 total cpu time spent up to now is 78.7 secs Computing kpt #: 64 total cpu time spent up to now is 79.9 secs Computing kpt #: 65 total cpu time spent up to now is 81.1 secs Computing kpt #: 66 total cpu time spent up to now is 82.3 secs Computing kpt #: 67 total cpu time spent up to now is 83.5 secs Computing kpt #: 68 total cpu time spent up to now is 84.7 secs Computing kpt #: 69 total cpu time spent up to now is 86.0 secs Computing kpt #: 70 total cpu time spent up to now is 87.2 secs Computing kpt #: 71 total cpu time spent up to now is 88.4 secs Computing kpt #: 72 total cpu time spent up to now is 89.7 secs Computing kpt #: 73 total cpu time spent up to now is 91.0 secs Computing kpt #: 74 total cpu time spent up to now is 92.2 secs Computing kpt #: 75 total cpu time spent up to now is 93.6 secs Computing kpt #: 76 total cpu time spent up to now is 94.8 secs Computing kpt #: 77 total cpu time spent up to now is 96.1 secs Computing kpt #: 78 total cpu time spent up to now is 97.4 secs Computing kpt #: 79 total cpu time spent up to now is 98.6 secs Computing kpt #: 80 total cpu time spent up to now is 99.8 secs Computing kpt #: 81 total cpu time spent up to now is 101.1 secs Computing kpt #: 82 total cpu time spent up to now is 102.3 secs Computing kpt #: 83 total cpu time spent up to now is 103.6 secs Computing kpt #: 84 total cpu time spent up to now is 104.8 secs Computing kpt #: 85 total cpu time spent up to now is 106.0 secs Computing kpt #: 86 total cpu time spent up to now is 107.3 secs Computing kpt #: 87 total cpu time spent up to now is 108.5 secs Computing kpt #: 88 total cpu time spent up to now is 109.7 secs Computing kpt #: 89 total cpu time spent up to now is 111.0 secs Computing kpt #: 90 total cpu time spent up to now is 112.2 secs Computing kpt #: 91 total cpu time spent up to now is 113.4 secs Computing kpt #: 92 total cpu time spent up to now is 114.7 secs Computing kpt #: 93 total cpu time spent up to now is 115.9 secs Computing kpt #: 94 total cpu time spent up to now is 117.1 secs Computing kpt #: 95 total cpu time spent up to now is 118.3 secs Computing kpt #: 96 total cpu time spent up to now is 119.5 secs Computing kpt #: 97 total cpu time spent up to now is 120.7 secs Computing kpt #: 98 total cpu time spent up to now is 121.9 secs Computing kpt #: 99 total cpu time spent up to now is 123.1 secs Computing kpt #: 100 total cpu time spent up to now is 124.3 secs Computing kpt #: 101 total cpu time spent up to now is 125.7 secs Computing kpt #: 102 total cpu time spent up to now is 127.2 secs Computing kpt #: 103 total cpu time spent up to now is 128.4 secs Computing kpt #: 104 total cpu time spent up to now is 130.0 secs Computing kpt #: 105 total cpu time spent up to now is 131.2 secs Computing kpt #: 106 total cpu time spent up to now is 132.5 secs Computing kpt #: 107 total cpu time spent up to now is 133.7 secs Computing kpt #: 108 total cpu time spent up to now is 135.0 secs Computing kpt #: 109 total cpu time spent up to now is 136.4 secs Computing kpt #: 110 total cpu time spent up to now is 137.8 secs Computing kpt #: 111 total cpu time spent up to now is 139.2 secs Computing kpt #: 112 total cpu time spent up to now is 140.6 secs Computing kpt #: 113 total cpu time spent up to now is 142.0 secs Computing kpt #: 114 total cpu time spent up to now is 143.3 secs Computing kpt #: 115 total cpu time spent up to now is 144.6 secs Computing kpt #: 116 total cpu time spent up to now is 145.9 secs Computing kpt #: 117 total cpu time spent up to now is 147.2 secs Computing kpt #: 118 total cpu time spent up to now is 148.6 secs Computing kpt #: 119 total cpu time spent up to now is 149.9 secs Computing kpt #: 120 total cpu time spent up to now is 151.2 secs Computing kpt #: 121 total cpu time spent up to now is 152.4 secs Computing kpt #: 122 total cpu time spent up to now is 153.7 secs Computing kpt #: 123 total cpu time spent up to now is 155.0 secs Computing kpt #: 124 total cpu time spent up to now is 156.2 secs Computing kpt #: 125 total cpu time spent up to now is 157.7 secs Computing kpt #: 126 total cpu time spent up to now is 158.9 secs Computing kpt #: 127 total cpu time spent up to now is 160.2 secs Computing kpt #: 128 total cpu time spent up to now is 161.4 secs Computing kpt #: 129 total cpu time spent up to now is 162.6 secs Computing kpt #: 130 total cpu time spent up to now is 163.9 secs Computing kpt #: 131 total cpu time spent up to now is 165.2 secs Computing kpt #: 132 total cpu time spent up to now is 166.4 secs Computing kpt #: 133 total cpu time spent up to now is 167.6 secs Computing kpt #: 134 total cpu time spent up to now is 168.8 secs Computing kpt #: 135 total cpu time spent up to now is 170.0 secs Computing kpt #: 136 total cpu time spent up to now is 171.2 secs Computing kpt #: 137 total cpu time spent up to now is 172.6 secs Computing kpt #: 138 total cpu time spent up to now is 173.8 secs Computing kpt #: 139 total cpu time spent up to now is 175.1 secs Computing kpt #: 140 total cpu time spent up to now is 176.3 secs Computing kpt #: 141 total cpu time spent up to now is 177.6 secs Computing kpt #: 142 total cpu time spent up to now is 178.8 secs Computing kpt #: 143 total cpu time spent up to now is 180.1 secs Computing kpt #: 144 total cpu time spent up to now is 181.3 secs Computing kpt #: 145 total cpu time spent up to now is 182.6 secs Computing kpt #: 146 total cpu time spent up to now is 183.8 secs Computing kpt #: 147 total cpu time spent up to now is 185.0 secs Computing kpt #: 148 total cpu time spent up to now is 186.1 secs Computing kpt #: 149 total cpu time spent up to now is 187.3 secs Computing kpt #: 150 total cpu time spent up to now is 188.5 secs Computing kpt #: 151 total cpu time spent up to now is 189.7 secs Computing kpt #: 152 total cpu time spent up to now is 192.0 secs Computing kpt #: 153 total cpu time spent up to now is 193.4 secs Computing kpt #: 154 total cpu time spent up to now is 194.7 secs Computing kpt #: 155 total cpu time spent up to now is 196.0 secs Computing kpt #: 156 total cpu time spent up to now is 197.3 secs Computing kpt #: 157 total cpu time spent up to now is 198.7 secs Computing kpt #: 158 total cpu time spent up to now is 200.0 secs Computing kpt #: 159 total cpu time spent up to now is 201.3 secs Computing kpt #: 160 total cpu time spent up to now is 202.6 secs Computing kpt #: 161 total cpu time spent up to now is 203.9 secs Computing kpt #: 162 total cpu time spent up to now is 205.1 secs Computing kpt #: 163 total cpu time spent up to now is 206.4 secs Computing kpt #: 164 total cpu time spent up to now is 207.6 secs Computing kpt #: 165 total cpu time spent up to now is 208.9 secs Computing kpt #: 166 total cpu time spent up to now is 210.1 secs Computing kpt #: 167 total cpu time spent up to now is 211.4 secs Computing kpt #: 168 total cpu time spent up to now is 212.6 secs Computing kpt #: 169 total cpu time spent up to now is 213.9 secs Computing kpt #: 170 total cpu time spent up to now is 215.1 secs Computing kpt #: 171 total cpu time spent up to now is 216.4 secs Computing kpt #: 172 total cpu time spent up to now is 217.6 secs Computing kpt #: 173 total cpu time spent up to now is 219.0 secs Computing kpt #: 174 total cpu time spent up to now is 220.2 secs Computing kpt #: 175 total cpu time spent up to now is 221.5 secs Computing kpt #: 176 total cpu time spent up to now is 223.2 secs Computing kpt #: 177 total cpu time spent up to now is 224.4 secs Computing kpt #: 178 total cpu time spent up to now is 225.7 secs Computing kpt #: 179 total cpu time spent up to now is 227.0 secs Computing kpt #: 180 total cpu time spent up to now is 228.3 secs Computing kpt #: 181 total cpu time spent up to now is 229.6 secs Computing kpt #: 182 total cpu time spent up to now is 230.9 secs Computing kpt #: 183 total cpu time spent up to now is 232.7 secs Computing kpt #: 184 total cpu time spent up to now is 234.4 secs Computing kpt #: 185 total cpu time spent up to now is 235.7 secs Computing kpt #: 186 total cpu time spent up to now is 237.0 secs Computing kpt #: 187 total cpu time spent up to now is 238.5 secs Computing kpt #: 188 total cpu time spent up to now is 239.7 secs Computing kpt #: 189 total cpu time spent up to now is 241.0 secs Computing kpt #: 190 total cpu time spent up to now is 242.2 secs Computing kpt #: 191 total cpu time spent up to now is 243.4 secs Computing kpt #: 192 total cpu time spent up to now is 244.6 secs Computing kpt #: 193 total cpu time spent up to now is 245.7 secs Computing kpt #: 194 total cpu time spent up to now is 246.8 secs Computing kpt #: 195 total cpu time spent up to now is 247.8 secs Computing kpt #: 196 total cpu time spent up to now is 248.8 secs Computing kpt #: 197 total cpu time spent up to now is 249.9 secs Computing kpt #: 198 total cpu time spent up to now is 250.9 secs Computing kpt #: 199 total cpu time spent up to now is 252.0 secs Computing kpt #: 200 total cpu time spent up to now is 253.0 secs Computing kpt #: 201 total cpu time spent up to now is 254.2 secs Computing kpt #: 202 total cpu time spent up to now is 255.4 secs Computing kpt #: 203 total cpu time spent up to now is 256.6 secs Computing kpt #: 204 total cpu time spent up to now is 257.8 secs Computing kpt #: 205 total cpu time spent up to now is 258.9 secs Computing kpt #: 206 total cpu time spent up to now is 260.1 secs Computing kpt #: 207 total cpu time spent up to now is 261.3 secs Computing kpt #: 208 total cpu time spent up to now is 262.5 secs Computing kpt #: 209 total cpu time spent up to now is 263.7 secs Computing kpt #: 210 total cpu time spent up to now is 264.9 secs Computing kpt #: 211 total cpu time spent up to now is 266.1 secs Computing kpt #: 212 total cpu time spent up to now is 267.2 secs Computing kpt #: 213 total cpu time spent up to now is 268.4 secs Computing kpt #: 214 total cpu time spent up to now is 269.6 secs Computing kpt #: 215 total cpu time spent up to now is 270.8 secs Computing kpt #: 216 total cpu time spent up to now is 272.0 secs Computing kpt #: 217 total cpu time spent up to now is 273.2 secs Computing kpt #: 218 total cpu time spent up to now is 274.3 secs Computing kpt #: 219 total cpu time spent up to now is 275.5 secs Computing kpt #: 220 total cpu time spent up to now is 276.7 secs Computing kpt #: 221 total cpu time spent up to now is 277.9 secs Computing kpt #: 222 total cpu time spent up to now is 279.2 secs Computing kpt #: 223 total cpu time spent up to now is 280.3 secs Computing kpt #: 224 total cpu time spent up to now is 281.5 secs Computing kpt #: 225 total cpu time spent up to now is 282.7 secs Computing kpt #: 226 total cpu time spent up to now is 283.9 secs Computing kpt #: 227 total cpu time spent up to now is 285.1 secs Computing kpt #: 228 total cpu time spent up to now is 286.3 secs Computing kpt #: 229 total cpu time spent up to now is 287.5 secs Computing kpt #: 230 total cpu time spent up to now is 288.7 secs Computing kpt #: 231 total cpu time spent up to now is 289.9 secs Computing kpt #: 232 total cpu time spent up to now is 291.2 secs Computing kpt #: 233 total cpu time spent up to now is 292.4 secs Computing kpt #: 234 total cpu time spent up to now is 293.6 secs Computing kpt #: 235 total cpu time spent up to now is 294.7 secs Computing kpt #: 236 total cpu time spent up to now is 295.9 secs Computing kpt #: 237 total cpu time spent up to now is 297.1 secs Computing kpt #: 238 total cpu time spent up to now is 298.3 secs Computing kpt #: 239 total cpu time spent up to now is 299.6 secs Computing kpt #: 240 total cpu time spent up to now is 300.8 secs Computing kpt #: 241 total cpu time spent up to now is 302.0 secs Computing kpt #: 242 total cpu time spent up to now is 303.1 secs Computing kpt #: 243 total cpu time spent up to now is 304.5 secs Computing kpt #: 244 total cpu time spent up to now is 305.7 secs Computing kpt #: 245 total cpu time spent up to now is 306.9 secs Computing kpt #: 246 total cpu time spent up to now is 308.1 secs Computing kpt #: 247 total cpu time spent up to now is 309.3 secs Computing kpt #: 248 total cpu time spent up to now is 310.5 secs Computing kpt #: 249 total cpu time spent up to now is 311.6 secs Computing kpt #: 250 total cpu time spent up to now is 312.9 secs Computing kpt #: 251 total cpu time spent up to now is 314.1 secs Computing kpt #: 252 total cpu time spent up to now is 315.5 secs Computing kpt #: 253 total cpu time spent up to now is 316.8 secs Computing kpt #: 254 total cpu time spent up to now is 318.3 secs Computing kpt #: 255 total cpu time spent up to now is 320.2 secs Computing kpt #: 256 total cpu time spent up to now is 322.1 secs Computing kpt #: 257 total cpu time spent up to now is 323.4 secs Computing kpt #: 258 total cpu time spent up to now is 324.7 secs Computing kpt #: 259 total cpu time spent up to now is 325.9 secs Computing kpt #: 260 total cpu time spent up to now is 327.2 secs Computing kpt #: 261 total cpu time spent up to now is 328.7 secs Computing kpt #: 262 total cpu time spent up to now is 329.9 secs Computing kpt #: 263 total cpu time spent up to now is 331.1 secs Computing kpt #: 264 total cpu time spent up to now is 332.3 secs Computing kpt #: 265 total cpu time spent up to now is 333.4 secs Computing kpt #: 266 total cpu time spent up to now is 334.6 secs Computing kpt #: 267 total cpu time spent up to now is 335.8 secs Computing kpt #: 268 total cpu time spent up to now is 337.0 secs Computing kpt #: 269 total cpu time spent up to now is 338.2 secs Computing kpt #: 270 total cpu time spent up to now is 339.4 secs Computing kpt #: 271 total cpu time spent up to now is 340.6 secs Computing kpt #: 272 total cpu time spent up to now is 341.8 secs Computing kpt #: 273 total cpu time spent up to now is 342.9 secs Computing kpt #: 274 total cpu time spent up to now is 344.1 secs ethr = 2.00E-08, avg # of iterations = 27.0 total cpu time spent up to now is 344.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6313 PWs) bands (ev): -28.8268 -28.8268 -28.8205 -28.8205 -28.5510 -28.5510 -28.4487 -28.4487 -11.6384 -11.6384 -11.6221 -11.6221 -11.5151 -11.5151 -11.2384 -11.2384 -10.5266 -10.5266 -10.5044 -10.5044 -10.4931 -10.4931 -10.4691 -10.4691 -10.4584 -10.4584 -10.2189 -10.2189 -10.1265 -10.1265 -9.9496 -9.9496 -1.8075 -1.8075 -1.2888 -1.2888 3.8803 3.8803 5.5648 5.5648 5.7145 5.7145 5.8289 5.8289 5.8797 5.8797 6.3148 6.3148 6.4549 6.4549 7.8916 7.8916 8.1590 8.1590 8.2325 8.2325 8.3430 8.3430 8.6985 8.6985 k = 0.0000 0.0000 0.0295 ( 6309 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5509 -28.5509 -28.4488 -28.4488 -11.6384 -11.6384 -11.6221 -11.6221 -11.5149 -11.5149 -11.2386 -11.2386 -10.5266 -10.5266 -10.5043 -10.5043 -10.4931 -10.4931 -10.4689 -10.4689 -10.4584 -10.4584 -10.2189 -10.2189 -10.1266 -10.1266 -9.9500 -9.9500 -1.8066 -1.8066 -1.2886 -1.2886 3.8817 3.8817 5.5625 5.5625 5.7085 5.7085 5.8308 5.8308 5.8772 5.8772 6.3128 6.3128 6.4514 6.4514 7.8931 7.8931 8.1657 8.1657 8.2344 8.2344 8.3437 8.3437 8.6987 8.6987 k = 0.0000 0.0000 0.0590 ( 6307 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5508 -28.5508 -28.4489 -28.4489 -11.6384 -11.6384 -11.6221 -11.6221 -11.5144 -11.5144 -11.2390 -11.2390 -10.5265 -10.5265 -10.5039 -10.5039 -10.4934 -10.4934 -10.4684 -10.4684 -10.4585 -10.4585 -10.2189 -10.2189 -10.1270 -10.1270 -9.9511 -9.9511 -1.8039 -1.8039 -1.2879 -1.2879 3.8861 3.8861 5.5555 5.5555 5.6918 5.6918 5.8350 5.8350 5.8698 5.8698 6.3066 6.3066 6.4416 6.4416 7.8976 7.8976 8.1855 8.1855 8.2401 8.2401 8.3459 8.3459 8.6976 8.6976 k = 0.0000 0.0000 0.0885 ( 6313 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5504 -28.5504 -28.4492 -28.4492 -11.6385 -11.6385 -11.6222 -11.6222 -11.5135 -11.5135 -11.2397 -11.2397 -10.5265 -10.5265 -10.5033 -10.5033 -10.4937 -10.4937 -10.4676 -10.4676 -10.4587 -10.4587 -10.2189 -10.2189 -10.1277 -10.1277 -9.9530 -9.9530 -1.7994 -1.7994 -1.2867 -1.2867 3.8933 3.8933 5.5440 5.5440 5.6665 5.6665 5.8386 5.8386 5.8587 5.8587 6.2959 6.2959 6.4269 6.4269 7.9049 7.9049 8.2178 8.2178 8.2492 8.2492 8.3495 8.3495 8.6924 8.6924 k = 0.0000 0.0000 0.1180 ( 6303 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5500 -28.5500 -28.4497 -28.4497 -11.6385 -11.6385 -11.6223 -11.6223 -11.5123 -11.5123 -11.2407 -11.2407 -10.5264 -10.5264 -10.5026 -10.5026 -10.4941 -10.4941 -10.4664 -10.4664 -10.4588 -10.4588 -10.2189 -10.2189 -10.1286 -10.1286 -9.9556 -9.9556 -1.7931 -1.7931 -1.2851 -1.2851 3.9033 3.9033 5.5279 5.5279 5.6344 5.6344 5.8340 5.8340 5.8502 5.8502 6.2803 6.2803 6.4099 6.4099 7.9150 7.9150 8.2598 8.2598 8.2631 8.2631 8.3545 8.3545 8.6828 8.6828 k = 0.0000 0.0000 0.1476 ( 6307 PWs) bands (ev): -28.8266 -28.8266 -28.8205 -28.8205 -28.5495 -28.5495 -28.4502 -28.4502 -11.6386 -11.6386 -11.6224 -11.6224 -11.5108 -11.5108 -11.2420 -11.2420 -10.5263 -10.5263 -10.5019 -10.5019 -10.4943 -10.4943 -10.4650 -10.4650 -10.4590 -10.4590 -10.2188 -10.2188 -10.1299 -10.1299 -9.9588 -9.9588 -1.7851 -1.7851 -1.2831 -1.2831 3.9162 3.9162 5.5073 5.5073 5.5966 5.5966 5.8166 5.8166 5.8481 5.8481 6.2588 6.2588 6.3940 6.3940 7.9275 7.9275 8.2760 8.2760 8.3158 8.3158 8.3607 8.3607 8.6700 8.6700 k = 0.0000 0.0000 0.1771 ( 6307 PWs) bands (ev): -28.8265 -28.8265 -28.8205 -28.8205 -28.5488 -28.5488 -28.4509 -28.4509 -11.6387 -11.6387 -11.6226 -11.6226 -11.5090 -11.5090 -11.2435 -11.2435 -10.5262 -10.5262 -10.5015 -10.5015 -10.4942 -10.4942 -10.4636 -10.4636 -10.4589 -10.4589 -10.2186 -10.2186 -10.1316 -10.1316 -9.9626 -9.9626 -1.7754 -1.7754 -1.2807 -1.2807 3.9317 3.9317 5.4822 5.4822 5.5539 5.5539 5.7944 5.7944 5.8445 5.8445 6.2311 6.2311 6.3820 6.3820 7.9424 7.9424 8.2931 8.2931 8.3678 8.3678 8.3794 8.3794 8.6551 8.6551 k = 0.0000 0.0000 0.2066 ( 6303 PWs) bands (ev): -28.8265 -28.8265 -28.8206 -28.8206 -28.5480 -28.5480 -28.4517 -28.4517 -11.6388 -11.6388 -11.6228 -11.6228 -11.5069 -11.5069 -11.2454 -11.2454 -10.5261 -10.5261 -10.5014 -10.5014 -10.4936 -10.4936 -10.4625 -10.4625 -10.4581 -10.4581 -10.2184 -10.2184 -10.1337 -10.1337 -9.9668 -9.9668 -1.7642 -1.7642 -1.2781 -1.2781 3.9499 3.9499 5.4525 5.4525 5.5075 5.5075 5.7699 5.7699 5.8369 5.8369 6.1979 6.1979 6.3756 6.3756 7.9592 7.9592 8.3120 8.3120 8.3766 8.3766 8.4503 8.4503 8.6384 8.6384 k = 0.0000 0.0000 0.2361 ( 6303 PWs) bands (ev): -28.8264 -28.8264 -28.8206 -28.8206 -28.5471 -28.5471 -28.4526 -28.4526 -11.6389 -11.6389 -11.6230 -11.6230 -11.5045 -11.5045 -11.2476 -11.2476 -10.5259 -10.5259 -10.5018 -10.5018 -10.4926 -10.4926 -10.4623 -10.4623 -10.4562 -10.4562 -10.2181 -10.2181 -10.1363 -10.1363 -9.9713 -9.9713 -1.7514 -1.7514 -1.2751 -1.2751 3.9707 3.9707 5.4177 5.4177 5.4590 5.4590 5.7439 5.7439 5.8242 5.8242 6.1610 6.1610 6.3754 6.3754 7.9776 7.9776 8.3324 8.3324 8.3864 8.3864 8.5281 8.5281 8.6200 8.6200 k = 0.0000 0.0000 0.2656 ( 6297 PWs) bands (ev): -28.8263 -28.8263 -28.8206 -28.8206 -28.5461 -28.5461 -28.4536 -28.4536 -11.6390 -11.6390 -11.6233 -11.6233 -11.5020 -11.5020 -11.2501 -11.2501 -10.5258 -10.5258 -10.5024 -10.5024 -10.4914 -10.4914 -10.4626 -10.4626 -10.4534 -10.4534 -10.2177 -10.2177 -10.1394 -10.1394 -9.9759 -9.9759 -1.7372 -1.7372 -1.2720 -1.2720 3.9940 3.9940 5.3759 5.3759 5.4115 5.4115 5.7172 5.7172 5.8059 5.8059 6.1225 6.1225 6.3812 6.3812 7.9975 7.9975 8.3540 8.3540 8.3973 8.3973 8.5978 8.5978 8.6133 8.6133 k = 0.0000 0.0000 0.2951 ( 6299 PWs) bands (ev): -28.8262 -28.8262 -28.8207 -28.8207 -28.5450 -28.5450 -28.4547 -28.4547 -11.6391 -11.6391 -11.6235 -11.6235 -11.4992 -11.4992 -11.2530 -11.2530 -10.5257 -10.5257 -10.5032 -10.5032 -10.4900 -10.4900 -10.4631 -10.4631 -10.4500 -10.4500 -10.2170 -10.2170 -10.1431 -10.1431 -9.9807 -9.9807 -1.7216 -1.7216 -1.2688 -1.2688 4.0197 4.0197 5.3257 5.3257 5.3678 5.3678 5.6901 5.6901 5.7817 5.7817 6.0840 6.0840 6.3926 6.3926 8.0184 8.0184 8.3764 8.3764 8.4093 8.4093 8.5758 8.5758 8.7007 8.7007 k = 0.0000 0.0000 0.3246 ( 6295 PWs) bands (ev): -28.8261 -28.8261 -28.8207 -28.8207 -28.5438 -28.5438 -28.4558 -28.4558 -11.6393 -11.6393 -11.6239 -11.6239 -11.4963 -11.4963 -11.2561 -11.2561 -10.5256 -10.5256 -10.5041 -10.5041 -10.4887 -10.4887 -10.4637 -10.4637 -10.4462 -10.4462 -10.2162 -10.2162 -10.1474 -10.1474 -9.9854 -9.9854 -1.7049 -1.7049 -1.2655 -1.2655 4.0476 4.0476 5.2697 5.2697 5.3268 5.3268 5.6630 5.6630 5.7517 5.7517 6.0468 6.0468 6.4092 6.4092 8.0401 8.0401 8.3992 8.3992 8.4225 8.4225 8.5501 8.5501 8.7930 8.7930 k = 0.0000 0.0000 0.3541 ( 6287 PWs) bands (ev): -28.8260 -28.8260 -28.8207 -28.8207 -28.5425 -28.5425 -28.4571 -28.4571 -11.6394 -11.6394 -11.6242 -11.6242 -11.4933 -11.4933 -11.2596 -11.2596 -10.5255 -10.5255 -10.5050 -10.5050 -10.4874 -10.4874 -10.4643 -10.4643 -10.4419 -10.4419 -10.2151 -10.2151 -10.1525 -10.1525 -9.9899 -9.9899 -1.6869 -1.6869 -1.2622 -1.2622 4.0777 4.0777 5.2110 5.2110 5.2870 5.2870 5.6361 5.6361 5.7163 5.7163 6.0117 6.0117 6.4305 6.4305 8.0622 8.0622 8.4220 8.4220 8.4367 8.4367 8.5217 8.5217 8.8883 8.8883 k = 0.0000 0.0000 0.3836 ( 6283 PWs) bands (ev): -28.8258 -28.8258 -28.8208 -28.8208 -28.5412 -28.5412 -28.4585 -28.4585 -11.6396 -11.6396 -11.6245 -11.6245 -11.4902 -11.4902 -11.2634 -11.2634 -10.5256 -10.5256 -10.5058 -10.5058 -10.4862 -10.4862 -10.4650 -10.4650 -10.4372 -10.4372 -10.2137 -10.2137 -10.1583 -10.1583 -9.9941 -9.9941 -1.6680 -1.6680 -1.2590 -1.2590 4.1097 4.1097 5.1512 5.1512 5.2480 5.2480 5.6094 5.6094 5.6763 5.6763 5.9790 5.9790 6.4560 6.4560 8.0846 8.0846 8.4437 8.4437 8.4517 8.4517 8.4916 8.4916 8.9857 8.9857 k = 0.0000 0.0000 0.4131 ( 6277 PWs) bands (ev): -28.8257 -28.8257 -28.8208 -28.8208 -28.5397 -28.5397 -28.4599 -28.4599 -11.6397 -11.6397 -11.6249 -11.6249 -11.4871 -11.4871 -11.2676 -11.2676 -10.5257 -10.5257 -10.5066 -10.5066 -10.4852 -10.4852 -10.4658 -10.4658 -10.4323 -10.4323 -10.2119 -10.2119 -10.1648 -10.1648 -9.9978 -9.9978 -1.6482 -1.6482 -1.2559 -1.2559 4.1437 4.1437 5.0914 5.0914 5.2101 5.2101 5.5831 5.5831 5.6326 5.6326 5.9484 5.9484 6.4853 6.4853 8.1070 8.1070 8.4488 8.4488 8.4641 8.4641 8.4781 8.4781 9.0841 9.0841 k = 0.0000 0.0000 0.4427 ( 6267 PWs) bands (ev): -28.8256 -28.8256 -28.8209 -28.8209 -28.5382 -28.5382 -28.4614 -28.4614 -11.6399 -11.6399 -11.6253 -11.6253 -11.4839 -11.4839 -11.2722 -11.2722 -10.5260 -10.5260 -10.5072 -10.5072 -10.4844 -10.4844 -10.4665 -10.4665 -10.4270 -10.4270 -10.2097 -10.2097 -10.1720 -10.1720 -10.0011 -10.0011 -1.6277 -1.6277 -1.2531 -1.2531 4.1793 4.1793 5.0323 5.0323 5.1739 5.1739 5.5567 5.5567 5.5867 5.5867 5.9199 5.9199 6.5179 6.5179 8.1291 8.1291 8.4147 8.4147 8.4800 8.4800 8.4970 8.4970 9.1824 9.1824 k = 0.0000 0.0000 0.4722 ( 6279 PWs) bands (ev): -28.8254 -28.8254 -28.8209 -28.8209 -28.5366 -28.5366 -28.4630 -28.4630 -11.6400 -11.6400 -11.6257 -11.6257 -11.4807 -11.4807 -11.2770 -11.2770 -10.5264 -10.5264 -10.5077 -10.5077 -10.4838 -10.4838 -10.4672 -10.4672 -10.4217 -10.4217 -10.2071 -10.2071 -10.1798 -10.1798 -10.0040 -10.0040 -1.6066 -1.6066 -1.2506 -1.2506 4.2165 4.2165 4.9747 4.9747 5.1399 5.1399 5.5272 5.5272 5.5427 5.5427 5.8930 5.8930 6.5533 6.5533 8.1507 8.1507 8.3750 8.3750 8.4944 8.4944 8.5196 8.5196 9.2790 9.2790 k = 0.0000 0.0000 0.5017 ( 6271 PWs) bands (ev): -28.8253 -28.8253 -28.8210 -28.8210 -28.5350 -28.5350 -28.4646 -28.4646 -11.6401 -11.6401 -11.6261 -11.6261 -11.4776 -11.4776 -11.2822 -11.2822 -10.5270 -10.5270 -10.5081 -10.5081 -10.4833 -10.4833 -10.4678 -10.4678 -10.4163 -10.4163 -10.2039 -10.2039 -10.1882 -10.1882 -10.0063 -10.0063 -1.5850 -1.5850 -1.2484 -1.2484 4.2551 4.2551 4.9189 4.9189 5.1084 5.1084 5.4837 5.4837 5.5122 5.5122 5.8675 5.8675 6.5913 6.5913 8.1717 8.1717 8.3323 8.3323 8.5064 8.5064 8.5432 8.5432 9.3719 9.3719 k = 0.0000 0.0000 0.5312 ( 6275 PWs) bands (ev): -28.8251 -28.8251 -28.8210 -28.8210 -28.5333 -28.5333 -28.4663 -28.4663 -11.6403 -11.6403 -11.6265 -11.6265 -11.4746 -11.4746 -11.2878 -11.2878 -10.5277 -10.5277 -10.5083 -10.5083 -10.4830 -10.4830 -10.4685 -10.4685 -10.4109 -10.4109 -10.2006 -10.2006 -10.1965 -10.1965 -10.0081 -10.0081 -1.5631 -1.5631 -1.2467 -1.2467 4.2948 4.2948 4.8655 4.8655 5.0801 5.0801 5.4345 5.4345 5.4877 5.4877 5.8431 5.8431 6.6313 6.6313 8.1917 8.1917 8.2874 8.2874 8.5152 8.5152 8.5681 8.5681 9.4586 9.4586 k = 0.0000 0.0000 0.5607 ( 6279 PWs) bands (ev): -28.8250 -28.8250 -28.8211 -28.8211 -28.5316 -28.5316 -28.4680 -28.4680 -11.6404 -11.6404 -11.6270 -11.6270 -11.4716 -11.4716 -11.2937 -11.2937 -10.5285 -10.5285 -10.5084 -10.5084 -10.4828 -10.4828 -10.4691 -10.4691 -10.4056 -10.4056 -10.2070 -10.2070 -10.1949 -10.1949 -10.0094 -10.0094 -1.5410 -1.5410 -1.2455 -1.2455 4.3354 4.3354 4.8149 4.8149 5.0552 5.0552 5.3845 5.3845 5.4648 5.4648 5.8198 5.8198 6.6732 6.6732 8.2099 8.2099 8.2411 8.2411 8.5196 8.5196 8.5942 8.5942 9.5357 9.5357 k = 0.0000 0.0000 0.5902 ( 6283 PWs) bands (ev): -28.8248 -28.8248 -28.8211 -28.8211 -28.5298 -28.5298 -28.4697 -28.4697 -11.6406 -11.6406 -11.6274 -11.6274 -11.4688 -11.4688 -11.2999 -11.2999 -10.5295 -10.5295 -10.5084 -10.5084 -10.4828 -10.4828 -10.4696 -10.4696 -10.4005 -10.4005 -10.2165 -10.2165 -10.1898 -10.1898 -10.0103 -10.0103 -1.5189 -1.5189 -1.2447 -1.2447 4.3765 4.3765 4.7675 4.7675 5.0341 5.0341 5.3346 5.3346 5.4429 5.4429 5.7975 5.7975 6.7165 6.7165 8.1893 8.1893 8.2307 8.2307 8.5189 8.5189 8.6217 8.6217 9.5976 9.5976 k = 0.0000 0.0000 0.6197 ( 6279 PWs) bands (ev): -28.8246 -28.8246 -28.8212 -28.8212 -28.5280 -28.5280 -28.4715 -28.4715 -11.6407 -11.6407 -11.6278 -11.6278 -11.4661 -11.4661 -11.3064 -11.3064 -10.5306 -10.5306 -10.5083 -10.5083 -10.4829 -10.4829 -10.4701 -10.4701 -10.3957 -10.3957 -10.2262 -10.2262 -10.1838 -10.1838 -10.0108 -10.0108 -1.4969 -1.4969 -1.2446 -1.2446 4.4179 4.4179 4.7238 4.7238 5.0171 5.0171 5.2854 5.2854 5.4221 5.4221 5.7760 5.7760 6.7609 6.7609 8.1392 8.1392 8.2470 8.2470 8.5126 8.5126 8.6505 8.6505 9.6359 9.6359 k = 0.0000 0.0000 0.6492 ( 6275 PWs) bands (ev): -28.8245 -28.8245 -28.8213 -28.8213 -28.5262 -28.5262 -28.4732 -28.4732 -11.6408 -11.6408 -11.6283 -11.6283 -11.4636 -11.4636 -11.3131 -11.3131 -10.5317 -10.5317 -10.5082 -10.5082 -10.4832 -10.4832 -10.4706 -10.4706 -10.3913 -10.3913 -10.2361 -10.2361 -10.1770 -10.1770 -10.0110 -10.0110 -1.4751 -1.4751 -1.2450 -1.2450 4.4586 4.4586 4.6844 4.6844 5.0046 5.0046 5.2371 5.2371 5.4023 5.4023 5.7553 5.7553 6.8060 6.8060 8.0872 8.0872 8.2625 8.2625 8.5000 8.5000 8.6806 8.6806 9.6436 9.6436 k = 0.0000 0.0000 0.6787 ( 6275 PWs) bands (ev): -28.8243 -28.8243 -28.8213 -28.8213 -28.5244 -28.5244 -28.4750 -28.4750 -11.6410 -11.6410 -11.6287 -11.6287 -11.4613 -11.4613 -11.3201 -11.3201 -10.5329 -10.5329 -10.5080 -10.5080 -10.4835 -10.4835 -10.4710 -10.4710 -10.3873 -10.3873 -10.2459 -10.2459 -10.1695 -10.1695 -10.0109 -10.0109 -1.4536 -1.4536 -1.2459 -1.2459 4.4970 4.4970 4.6509 4.6509 4.9966 4.9966 5.1898 5.1898 5.3836 5.3836 5.7355 5.7355 6.8517 6.8517 8.0341 8.0341 8.2768 8.2768 8.4812 8.4812 8.7119 8.7119 9.6200 9.6200 k = 0.0000 0.0000 0.7082 ( 6275 PWs) bands (ev): -28.8242 -28.8242 -28.8214 -28.8214 -28.5226 -28.5226 -28.4768 -28.4768 -11.6411 -11.6411 -11.6291 -11.6291 -11.4591 -11.4591 -11.3273 -11.3273 -10.5341 -10.5341 -10.5078 -10.5078 -10.4839 -10.4839 -10.4714 -10.4714 -10.3836 -10.3836 -10.2556 -10.2556 -10.1613 -10.1613 -10.0104 -10.0104 -1.4327 -1.4327 -1.2475 -1.2475 4.5280 4.5280 4.6281 4.6281 4.9934 4.9934 5.1439 5.1439 5.3660 5.3660 5.7165 5.7165 6.8974 6.8974 7.9800 7.9800 8.2897 8.2897 8.4560 8.4560 8.7442 8.7442 9.5714 9.5714 k = 0.0000 0.0000 0.7378 ( 6268 PWs) bands (ev): -28.8240 -28.8240 -28.8214 -28.8214 -28.5208 -28.5208 -28.4785 -28.4785 -11.6412 -11.6412 -11.6295 -11.6295 -11.4571 -11.4571 -11.3346 -11.3346 -10.5354 -10.5354 -10.5076 -10.5076 -10.4843 -10.4843 -10.4718 -10.4718 -10.3804 -10.3804 -10.2652 -10.2652 -10.1524 -10.1524 -10.0098 -10.0098 -1.4123 -1.4123 -1.2496 -1.2496 4.5384 4.5384 4.6291 4.6291 4.9951 4.9951 5.0994 5.0994 5.3495 5.3495 5.6982 5.6982 6.9430 6.9430 7.9254 7.9254 8.3012 8.3012 8.4248 8.4248 8.7772 8.7772 9.5061 9.5061 k = 0.0000 0.0000 0.7673 ( 6266 PWs) bands (ev): -28.8238 -28.8238 -28.8215 -28.8215 -28.5191 -28.5191 -28.4802 -28.4802 -11.6413 -11.6413 -11.6299 -11.6299 -11.4553 -11.4553 -11.3421 -11.3421 -10.5366 -10.5366 -10.5074 -10.5074 -10.4847 -10.4847 -10.4722 -10.4722 -10.3776 -10.3776 -10.2744 -10.2744 -10.1431 -10.1431 -10.0090 -10.0090 -1.3927 -1.3927 -1.2522 -1.2522 4.5268 4.5268 4.6548 4.6548 5.0017 5.0017 5.0568 5.0568 5.3343 5.3343 5.6808 5.6808 6.9881 6.9881 7.8704 7.8704 8.3110 8.3110 8.3883 8.3883 8.8107 8.8107 9.4311 9.4311 k = 0.0000 0.0000 0.7968 ( 6274 PWs) bands (ev): -28.8237 -28.8237 -28.8215 -28.8215 -28.5173 -28.5173 -28.4819 -28.4819 -11.6414 -11.6414 -11.6302 -11.6302 -11.4536 -11.4536 -11.3496 -11.3496 -10.5378 -10.5378 -10.5072 -10.5072 -10.4851 -10.4851 -10.4726 -10.4726 -10.3753 -10.3753 -10.2834 -10.2834 -10.1332 -10.1332 -10.0079 -10.0079 -1.3738 -1.3738 -1.2553 -1.2553 4.5088 4.5088 4.6891 4.6891 5.0089 5.0089 5.0202 5.0202 5.3204 5.3204 5.6641 5.6641 7.0323 7.0323 7.8152 7.8152 8.3175 8.3175 8.3488 8.3488 8.8444 8.8444 9.3511 9.3511 k = 0.0000 0.0000 0.8263 ( 6262 PWs) bands (ev): -28.8235 -28.8235 -28.8216 -28.8216 -28.5156 -28.5156 -28.4836 -28.4836 -11.6415 -11.6415 -11.6306 -11.6306 -11.4522 -11.4522 -11.3571 -11.3571 -10.5390 -10.5390 -10.5070 -10.5070 -10.4856 -10.4856 -10.4730 -10.4730 -10.3732 -10.3732 -10.2920 -10.2920 -10.1231 -10.1231 -10.0068 -10.0068 -1.3558 -1.3558 -1.2589 -1.2589 4.4911 4.4911 4.7250 4.7250 4.9749 4.9749 5.0316 5.0316 5.3078 5.3078 5.6482 5.6482 7.0753 7.0753 7.7601 7.7601 8.2956 8.2956 8.3324 8.3324 8.8780 8.8780 9.2694 9.2694 k = 0.0000 0.0000 0.8558 ( 6264 PWs) bands (ev): -28.8234 -28.8234 -28.8216 -28.8216 -28.5140 -28.5140 -28.4852 -28.4852 -11.6416 -11.6416 -11.6309 -11.6309 -11.4510 -11.4510 -11.3646 -11.3646 -10.5401 -10.5401 -10.5069 -10.5069 -10.4860 -10.4860 -10.4733 -10.4733 -10.3715 -10.3715 -10.3002 -10.3002 -10.1128 -10.1128 -10.0055 -10.0055 -1.3388 -1.3388 -1.2629 -1.2629 4.4756 4.4756 4.7601 4.7601 4.9378 4.9378 5.0529 5.0529 5.2967 5.2967 5.6331 5.6331 7.1168 7.1168 7.7053 7.7053 8.2481 8.2481 8.3371 8.3371 8.9111 8.9111 9.1881 9.1881 k = 0.0000 0.0000 0.8853 ( 6256 PWs) bands (ev): -28.8232 -28.8232 -28.8217 -28.8217 -28.5123 -28.5123 -28.4867 -28.4867 -11.6418 -11.6418 -11.6312 -11.6312 -11.4499 -11.4499 -11.3720 -11.3720 -10.5412 -10.5412 -10.5068 -10.5068 -10.4864 -10.4864 -10.4737 -10.4737 -10.3701 -10.3701 -10.3079 -10.3079 -10.1024 -10.1024 -10.0042 -10.0042 -1.3227 -1.3227 -1.2671 -1.2671 4.4625 4.4625 4.7937 4.7937 4.9028 4.9028 5.0786 5.0786 5.2873 5.2873 5.6188 5.6188 7.1565 7.1565 7.6510 7.6510 8.1966 8.1966 8.3422 8.3422 8.9433 8.9433 9.1087 9.1087 k = 0.0000 0.0000 0.9148 ( 6260 PWs) bands (ev): -28.8231 -28.8231 -28.8217 -28.8217 -28.5108 -28.5108 -28.4882 -28.4882 -11.6419 -11.6419 -11.6315 -11.6315 -11.4491 -11.4491 -11.3792 -11.3792 -10.5422 -10.5422 -10.5068 -10.5068 -10.4867 -10.4867 -10.4741 -10.4741 -10.3690 -10.3690 -10.3152 -10.3152 -10.0920 -10.0920 -10.0027 -10.0027 -1.3077 -1.3077 -1.2716 -1.2716 4.4521 4.4521 4.8245 4.8245 4.8709 4.8709 5.1079 5.1079 5.2795 5.2795 5.6053 5.6053 7.1939 7.1939 7.5974 7.5974 8.1434 8.1434 8.3465 8.3465 8.9742 8.9742 9.0322 9.0322 k = 0.0000 0.0000 0.9443 ( 6264 PWs) bands (ev): -28.8230 -28.8230 -28.8218 -28.8218 -28.5093 -28.5093 -28.4897 -28.4897 -11.6420 -11.6420 -11.6318 -11.6318 -11.4485 -11.4485 -11.3861 -11.3861 -10.5431 -10.5431 -10.5068 -10.5068 -10.4870 -10.4870 -10.4744 -10.4744 -10.3681 -10.3681 -10.3220 -10.3220 -10.0819 -10.0819 -10.0012 -10.0012 -1.2939 -1.2939 -1.2762 -1.2762 4.4441 4.4441 4.8325 4.8325 4.8623 4.8623 5.1399 5.1399 5.2737 5.2737 5.5926 5.5926 7.2289 7.2289 7.5449 7.5449 8.0895 8.0895 8.3500 8.3500 8.9582 8.9582 9.0047 9.0047 k = 0.0000 0.0000 0.9738 ( 6268 PWs) bands (ev): -28.8229 -28.8229 -28.8218 -28.8218 -28.5079 -28.5079 -28.4910 -28.4910 -11.6421 -11.6421 -11.6320 -11.6320 -11.4480 -11.4480 -11.3927 -11.3927 -10.5440 -10.5440 -10.5068 -10.5068 -10.4873 -10.4873 -10.4748 -10.4748 -10.3674 -10.3674 -10.3282 -10.3282 -10.0721 -10.0721 -9.9995 -9.9995 -1.2830 -1.2830 -1.2789 -1.2789 4.4382 4.4382 4.8068 4.8068 4.8878 4.8878 5.1738 5.1738 5.2701 5.2701 5.5807 5.5807 7.2612 7.2612 7.4937 7.4937 8.0358 8.0358 8.3528 8.3528 8.8894 8.8894 9.0322 9.0322 k = 0.0000 0.0000 1.0033 ( 6260 PWs) bands (ev): -28.8227 -28.8227 -28.8219 -28.8219 -28.5066 -28.5066 -28.4923 -28.4923 -11.6422 -11.6422 -11.6322 -11.6322 -11.4478 -11.4478 -11.3989 -11.3989 -10.5448 -10.5448 -10.5068 -10.5068 -10.4876 -10.4876 -10.4751 -10.4751 -10.3669 -10.3669 -10.3340 -10.3340 -10.0628 -10.0628 -9.9978 -9.9978 -1.2863 -1.2863 -1.2687 -1.2687 4.4342 4.4342 4.7810 4.7810 4.9138 4.9138 5.2085 5.2085 5.2688 5.2688 5.5696 5.5696 7.2906 7.2906 7.4442 7.4442 7.9830 7.9830 8.3549 8.3549 8.8250 8.8250 9.0581 9.0581 k = 0.0000 0.0000 1.0329 ( 6262 PWs) bands (ev): -28.8226 -28.8226 -28.8219 -28.8219 -28.5054 -28.5054 -28.4934 -28.4934 -11.6423 -11.6423 -11.6324 -11.6324 -11.4478 -11.4478 -11.4047 -11.4047 -10.5455 -10.5455 -10.5069 -10.5069 -10.4878 -10.4878 -10.4754 -10.4754 -10.3665 -10.3665 -10.3392 -10.3392 -10.0541 -10.0541 -9.9960 -9.9960 -1.2909 -1.2909 -1.2581 -1.2581 4.4318 4.4318 4.7574 4.7574 4.9379 4.9379 5.2427 5.2427 5.2706 5.2706 5.5593 5.5593 7.3167 7.3167 7.3966 7.3966 7.9321 7.9321 8.3565 8.3565 8.7653 8.7653 9.0818 9.0818 k = 0.0000 0.0000 1.0624 ( 6266 PWs) bands (ev): -28.8225 -28.8225 -28.8219 -28.8219 -28.5043 -28.5043 -28.4945 -28.4945 -11.6423 -11.6423 -11.6325 -11.6325 -11.4481 -11.4481 -11.4098 -11.4098 -10.5462 -10.5462 -10.5070 -10.5070 -10.4880 -10.4880 -10.4757 -10.4757 -10.3663 -10.3663 -10.3439 -10.3439 -10.0462 -10.0462 -9.9942 -9.9942 -1.2954 -1.2954 -1.2485 -1.2485 4.4305 4.4305 4.7363 4.7363 4.9594 4.9594 5.2697 5.2697 5.2816 5.2816 5.5500 5.5500 7.3392 7.3392 7.3518 7.3518 7.8838 7.8838 8.3575 8.3575 8.7107 8.7107 9.1033 9.1033 k = 0.0000 0.0000 1.0919 ( 6254 PWs) bands (ev): -28.8224 -28.8224 -28.8220 -28.8220 -28.5033 -28.5033 -28.4955 -28.4955 -11.6424 -11.6424 -11.6326 -11.6326 -11.4486 -11.4486 -11.4143 -11.4143 -10.5467 -10.5467 -10.5071 -10.5071 -10.4882 -10.4882 -10.4760 -10.4760 -10.3662 -10.3662 -10.3480 -10.3480 -10.0390 -10.0390 -9.9922 -9.9922 -1.2997 -1.2997 -1.2400 -1.2400 4.4300 4.4300 4.7178 4.7178 4.9782 4.9782 5.2791 5.2791 5.3108 5.3108 5.5417 5.5417 7.3087 7.3087 7.3596 7.3596 7.8387 7.8387 8.3582 8.3582 8.6614 8.6614 9.1227 9.1227 k = 0.0000 0.0000 1.1214 ( 6256 PWs) bands (ev): -28.8224 -28.8224 -28.8220 -28.8220 -28.5024 -28.5024 -28.4964 -28.4964 -11.6425 -11.6425 -11.6328 -11.6328 -11.4493 -11.4493 -11.4182 -11.4182 -10.5472 -10.5472 -10.5072 -10.5072 -10.4884 -10.4884 -10.4762 -10.4762 -10.3663 -10.3663 -10.3515 -10.3515 -10.0328 -10.0328 -9.9901 -9.9901 -1.3037 -1.3037 -1.2325 -1.2325 4.4301 4.4301 4.7020 4.7020 4.9940 4.9940 5.2889 5.2889 5.3394 5.3394 5.5348 5.5348 7.2695 7.2695 7.3760 7.3760 7.7974 7.7974 8.3586 8.3586 8.6176 8.6176 9.1398 9.1398 k = 0.0000 0.0000 1.1509 ( 6262 PWs) bands (ev): -28.8223 -28.8223 -28.8220 -28.8220 -28.5016 -28.5016 -28.4971 -28.4971 -11.6426 -11.6426 -11.6328 -11.6328 -11.4502 -11.4502 -11.4213 -11.4213 -10.5477 -10.5477 -10.5073 -10.5073 -10.4885 -10.4885 -10.4764 -10.4764 -10.3666 -10.3666 -10.3544 -10.3544 -10.0276 -10.0276 -9.9880 -9.9880 -1.3073 -1.3073 -1.2261 -1.2261 4.4305 4.4305 4.6888 4.6888 5.0068 5.0068 5.3007 5.3007 5.3642 5.3642 5.5295 5.5295 7.2340 7.2340 7.3893 7.3893 7.7606 7.7606 8.3588 8.3588 8.5794 8.5794 9.1548 9.1548 k = 0.0000 0.0000 1.1804 ( 6262 PWs) bands (ev): -28.8222 -28.8222 -28.8220 -28.8220 -28.5009 -28.5009 -28.4978 -28.4978 -11.6426 -11.6426 -11.6329 -11.6329 -11.4513 -11.4513 -11.4238 -11.4238 -10.5480 -10.5480 -10.5074 -10.5074 -10.4886 -10.4886 -10.4766 -10.4766 -10.3670 -10.3670 -10.3566 -10.3566 -10.0233 -10.0233 -9.9859 -9.9859 -1.3105 -1.3105 -1.2208 -1.2208 4.4309 4.4309 4.6781 4.6781 5.0168 5.0168 5.3140 5.3140 5.3839 5.3839 5.5264 5.5264 7.2028 7.2028 7.3997 7.3997 7.7287 7.7287 8.3588 8.3588 8.5470 8.5470 9.1676 9.1676 k = 0.0000 0.0000 1.2099 ( 6254 PWs) bands (ev): -28.8222 -28.8222 -28.8220 -28.8220 -28.5003 -28.5003 -28.4983 -28.4983 -11.6427 -11.6427 -11.6330 -11.6330 -11.4524 -11.4524 -11.4256 -11.4256 -10.5483 -10.5483 -10.5075 -10.5075 -10.4887 -10.4887 -10.4767 -10.4767 -10.3675 -10.3675 -10.3583 -10.3583 -10.0200 -10.0200 -9.9839 -9.9839 -1.3132 -1.3132 -1.2164 -1.2164 4.4312 4.4312 4.6698 4.6698 5.0243 5.0243 5.3282 5.3282 5.3973 5.3973 5.5256 5.5256 7.1763 7.1763 7.4075 7.4075 7.7022 7.7022 8.3588 8.3588 8.5203 8.5203 9.1782 9.1782 k = 0.0000 0.0000 1.2394 ( 6254 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4999 -28.4999 -28.4988 -28.4988 -11.6427 -11.6427 -11.6330 -11.6330 -11.4534 -11.4534 -11.4270 -11.4270 -10.5485 -10.5485 -10.5076 -10.5076 -10.4888 -10.4888 -10.4768 -10.4768 -10.3682 -10.3682 -10.3593 -10.3593 -10.0176 -10.0176 -9.9822 -9.9822 -1.3153 -1.3153 -1.2130 -1.2130 4.4315 4.4315 4.6636 4.6636 5.0297 5.0297 5.3422 5.3422 5.4044 5.4044 5.5271 5.5271 7.1551 7.1551 7.4129 7.4129 7.6814 7.6814 8.3587 8.3587 8.4995 8.4995 9.1866 9.1866 k = 0.0000 0.0000 1.2689 ( 6260 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4996 -28.4996 -28.4991 -28.4991 -11.6428 -11.6428 -11.6330 -11.6330 -11.4543 -11.4543 -11.4278 -11.4278 -10.5487 -10.5487 -10.5076 -10.5076 -10.4889 -10.4889 -10.4769 -10.4769 -10.3687 -10.3687 -10.3600 -10.3600 -10.0159 -10.0159 -9.9809 -9.9809 -1.3169 -1.3169 -1.2106 -1.2106 4.4316 4.4316 4.6594 4.6594 5.0332 5.0332 5.3550 5.3550 5.4061 5.4061 5.5298 5.5298 7.1396 7.1396 7.4165 7.4165 7.6665 7.6665 8.3586 8.3586 8.4846 8.4846 9.1927 9.1927 k = 0.0000 0.0000 1.2984 ( 6244 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4994 -28.4994 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4548 -11.4548 -11.4283 -11.4283 -10.5488 -10.5488 -10.5076 -10.5076 -10.4889 -10.4889 -10.4770 -10.4770 -10.3691 -10.3691 -10.3604 -10.3604 -10.0149 -10.0149 -9.9800 -9.9800 -1.3178 -1.3178 -1.2092 -1.2092 4.4316 4.4316 4.6569 4.6569 5.0353 5.0353 5.3648 5.3648 5.4046 5.4046 5.5321 5.5321 7.1301 7.1301 7.4184 7.4184 7.6575 7.6575 8.3585 8.3585 8.4756 8.4756 9.1964 9.1964 k = 0.0000 0.0000 1.3280 ( 6246 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5076 -10.5076 -10.4889 -10.4889 -10.4770 -10.4770 -10.3692 -10.3692 -10.3605 -10.3605 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4317 4.4317 4.6561 4.6561 5.0359 5.0359 5.3688 5.3688 5.4034 5.4034 5.5330 5.5330 7.1270 7.1270 7.4191 7.4191 7.6545 7.6545 8.3585 8.3585 8.4726 8.4726 9.1977 9.1977 k = 0.0000 0.0000 1.3280 ( 6246 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5076 -10.5076 -10.4889 -10.4889 -10.4770 -10.4770 -10.3692 -10.3692 -10.3605 -10.3605 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4317 4.4317 4.6561 4.6561 5.0359 5.0359 5.3688 5.3688 5.4034 5.4034 5.5330 5.5330 7.1270 7.1270 7.4191 7.4191 7.6545 7.6545 8.3585 8.3585 8.4726 8.4726 9.1977 9.1977 k =-0.0103 0.0254 1.3280 ( 6250 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4994 -28.4994 -28.4993 -28.4993 -11.6427 -11.6427 -11.6331 -11.6331 -11.4548 -11.4548 -11.4284 -11.4284 -10.5487 -10.5487 -10.5077 -10.5077 -10.4888 -10.4888 -10.4771 -10.4771 -10.3692 -10.3692 -10.3602 -10.3602 -10.0149 -10.0149 -9.9800 -9.9800 -1.3181 -1.3181 -1.2088 -1.2088 4.4317 4.4317 4.6542 4.6542 5.0326 5.0326 5.3635 5.3635 5.4117 5.4117 5.5342 5.5342 7.1295 7.1295 7.4206 7.4206 7.6546 7.6546 8.3603 8.3603 8.4691 8.4691 9.1997 9.1997 k =-0.0206 0.0508 1.3280 ( 6250 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4995 -28.4995 -28.4991 -28.4991 -11.6426 -11.6426 -11.6332 -11.6332 -11.4543 -11.4543 -11.4279 -11.4279 -10.5484 -10.5484 -10.5080 -10.5080 -10.4885 -10.4885 -10.4774 -10.4774 -10.3692 -10.3692 -10.3595 -10.3595 -10.0157 -10.0157 -9.9808 -9.9808 -1.3178 -1.3178 -1.2093 -1.2093 4.4317 4.4317 4.6485 4.6485 5.0228 5.0228 5.3551 5.3551 5.4289 5.4289 5.5378 5.5378 7.1371 7.1371 7.4253 7.4253 7.6547 7.6547 8.3656 8.3656 8.4589 8.4589 9.2058 9.2058 k =-0.0310 0.0762 1.3280 ( 6252 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4998 -28.4998 -28.4988 -28.4988 -11.6424 -11.6424 -11.6333 -11.6333 -11.4536 -11.4536 -11.4272 -11.4272 -10.5479 -10.5479 -10.5084 -10.5084 -10.4881 -10.4881 -10.4779 -10.4779 -10.3691 -10.3691 -10.3584 -10.3584 -10.0170 -10.0170 -9.9820 -9.9820 -1.3175 -1.3175 -1.2102 -1.2102 4.4314 4.4314 4.6401 4.6401 5.0067 5.0067 5.3489 5.3489 5.4490 5.4490 5.5437 5.5437 7.1496 7.1496 7.4330 7.4330 7.6548 7.6548 8.3745 8.3745 8.4427 8.4427 9.2159 9.2159 k =-0.0413 0.1016 1.3280 ( 6250 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.5002 -28.5002 -28.4985 -28.4985 -11.6422 -11.6422 -11.6334 -11.6334 -11.4527 -11.4527 -11.4262 -11.4262 -10.5471 -10.5471 -10.5089 -10.5089 -10.4874 -10.4874 -10.4785 -10.4785 -10.3691 -10.3691 -10.3567 -10.3567 -10.0190 -10.0190 -9.9836 -9.9836 -1.3171 -1.3171 -1.2114 -1.2114 4.4300 4.4300 4.6304 4.6304 4.9852 4.9852 5.3460 5.3460 5.4697 5.4697 5.5519 5.5519 7.1669 7.1669 7.4438 7.4438 7.6546 7.6546 8.3869 8.3869 8.4216 8.4216 9.2301 9.2301 k =-0.0413 0.1016 1.3280 ( 6250 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.5002 -28.5002 -28.4985 -28.4985 -11.6422 -11.6422 -11.6334 -11.6334 -11.4527 -11.4527 -11.4262 -11.4262 -10.5471 -10.5471 -10.5089 -10.5089 -10.4874 -10.4874 -10.4785 -10.4785 -10.3691 -10.3691 -10.3567 -10.3567 -10.0190 -10.0190 -9.9836 -9.9836 -1.3171 -1.3171 -1.2114 -1.2114 4.4300 4.4300 4.6304 4.6304 4.9852 4.9852 5.3460 5.3460 5.4697 5.4697 5.5519 5.5519 7.1669 7.1669 7.4438 7.4438 7.6546 7.6546 8.3869 8.3869 8.4216 8.4216 9.2301 9.2301 k =-0.0492 0.1211 1.3069 ( 6254 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.5005 -28.5005 -28.4981 -28.4981 -11.6419 -11.6419 -11.6336 -11.6336 -11.4518 -11.4518 -11.4250 -11.4250 -10.5464 -10.5464 -10.5093 -10.5093 -10.4869 -10.4869 -10.4791 -10.4791 -10.3689 -10.3689 -10.3551 -10.3551 -10.0212 -10.0212 -9.9852 -9.9852 -1.3165 -1.3165 -1.2128 -1.2128 4.4273 4.4273 4.6240 4.6240 4.9652 4.9652 5.3448 5.3448 5.4850 5.4850 5.5592 5.5592 7.1848 7.1848 7.4534 7.4534 7.6558 7.6558 8.3976 8.3976 8.4057 8.4057 9.2429 9.2429 k =-0.0571 0.1405 1.2859 ( 6248 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.5009 -28.5009 -28.4978 -28.4978 -11.6416 -11.6416 -11.6337 -11.6337 -11.4506 -11.4506 -11.4235 -11.4235 -10.5456 -10.5456 -10.5098 -10.5098 -10.4863 -10.4863 -10.4798 -10.4798 -10.3687 -10.3687 -10.3532 -10.3532 -10.0240 -10.0240 -9.9873 -9.9873 -1.3156 -1.3156 -1.2148 -1.2148 4.4215 4.4215 4.6205 4.6205 4.9423 4.9423 5.3434 5.3434 5.4986 5.4986 5.5672 5.5672 7.2081 7.2081 7.4625 7.4625 7.6605 7.6605 8.3890 8.3890 8.4135 8.4135 9.2564 9.2564 k =-0.0650 0.1600 1.2649 ( 6248 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.5012 -28.5012 -28.4975 -28.4975 -11.6413 -11.6413 -11.6339 -11.6339 -11.4492 -11.4492 -11.4216 -11.4216 -10.5446 -10.5446 -10.5102 -10.5102 -10.4856 -10.4856 -10.4805 -10.4805 -10.3682 -10.3682 -10.3509 -10.3509 -10.0274 -10.0274 -9.9899 -9.9899 -1.3144 -1.3144 -1.2175 -1.2175 4.4115 4.4115 4.6214 4.6214 4.9172 4.9172 5.3421 5.3421 5.5098 5.5098 5.5763 5.5763 7.2366 7.2366 7.4697 7.4697 7.6692 7.6692 8.3777 8.3777 8.4294 8.4294 9.2703 9.2703 k =-0.0729 0.1794 1.2439 ( 6254 PWs) bands (ev): -28.8223 -28.8223 -28.8221 -28.8221 -28.5015 -28.5015 -28.4972 -28.4972 -11.6409 -11.6409 -11.6341 -11.6341 -11.4475 -11.4475 -11.4194 -11.4194 -10.5435 -10.5435 -10.5106 -10.5106 -10.4850 -10.4850 -10.4812 -10.4812 -10.3676 -10.3676 -10.3482 -10.3482 -10.0315 -10.0315 -9.9930 -9.9930 -1.3128 -1.3128 -1.2208 -1.2208 4.3968 4.3968 4.6271 4.6271 4.8904 4.8904 5.3409 5.3409 5.5181 5.5181 5.5871 5.5871 7.2697 7.2697 7.4735 7.4735 7.6826 7.6826 8.3710 8.3710 8.4475 8.4475 9.2840 9.2840 k =-0.0808 0.1989 1.2229 ( 6261 PWs) bands (ev): -28.8223 -28.8223 -28.8221 -28.8221 -28.5018 -28.5018 -28.4969 -28.4969 -11.6405 -11.6405 -11.6343 -11.6343 -11.4455 -11.4455 -11.4170 -11.4170 -10.5424 -10.5424 -10.5110 -10.5110 -10.4846 -10.4846 -10.4817 -10.4817 -10.3668 -10.3668 -10.3453 -10.3453 -10.0362 -10.0362 -9.9966 -9.9966 -1.3109 -1.3109 -1.2246 -1.2246 4.3776 4.3776 4.6370 4.6370 4.8628 4.8628 5.3398 5.3398 5.5238 5.5238 5.5993 5.5993 7.3070 7.3070 7.4727 7.4727 7.7011 7.7011 8.3699 8.3699 8.4677 8.4677 9.2969 9.2969 k =-0.0887 0.2184 1.2019 ( 6257 PWs) bands (ev): -28.8223 -28.8223 -28.8221 -28.8221 -28.5022 -28.5022 -28.4967 -28.4967 -11.6400 -11.6400 -11.6345 -11.6345 -11.4433 -11.4433 -11.4142 -11.4142 -10.5412 -10.5412 -10.5112 -10.5112 -10.4845 -10.4845 -10.4820 -10.4820 -10.3658 -10.3658 -10.3420 -10.3420 -10.0415 -10.0415 -10.0006 -10.0006 -1.3087 -1.3087 -1.2289 -1.2289 4.3547 4.3547 4.6499 4.6499 4.8354 4.8354 5.3390 5.3390 5.5273 5.5273 5.6127 5.6127 7.3480 7.3480 7.4666 7.4666 7.7248 7.7248 8.3755 8.3755 8.4898 8.4898 9.3082 9.3082 k =-0.0967 0.2378 1.1809 ( 6266 PWs) bands (ev): -28.8224 -28.8224 -28.8222 -28.8222 -28.5025 -28.5025 -28.4964 -28.4964 -11.6396 -11.6396 -11.6347 -11.6347 -11.4409 -11.4409 -11.4112 -11.4112 -10.5399 -10.5399 -10.5113 -10.5113 -10.4850 -10.4850 -10.4816 -10.4816 -10.3646 -10.3646 -10.3384 -10.3384 -10.0473 -10.0473 -10.0052 -10.0052 -1.3063 -1.3063 -1.2337 -1.2337 4.3289 4.3289 4.6629 4.6629 4.8106 4.8106 5.3386 5.3386 5.5293 5.5293 5.6268 5.6268 7.3915 7.3915 7.4558 7.4558 7.7529 7.7529 8.3884 8.3884 8.5139 8.5139 9.3169 9.3169 k =-0.1046 0.2573 1.1599 ( 6268 PWs) bands (ev): -28.8224 -28.8224 -28.8222 -28.8222 -28.5028 -28.5028 -28.4961 -28.4961 -11.6391 -11.6391 -11.6350 -11.6350 -11.4383 -11.4383 -11.4081 -11.4081 -10.5386 -10.5386 -10.5113 -10.5113 -10.4857 -10.4857 -10.4811 -10.4811 -10.3632 -10.3632 -10.3345 -10.3345 -10.0536 -10.0536 -10.0103 -10.0103 -1.3036 -1.3036 -1.2389 -1.2389 4.3009 4.3009 4.6710 4.6710 4.7930 4.7930 5.3386 5.3386 5.5306 5.5306 5.6413 5.6413 7.4265 7.4265 7.4514 7.4514 7.7847 7.7847 8.4091 8.4091 8.5398 8.5398 9.3216 9.3216 k =-0.1125 0.2767 1.1389 ( 6276 PWs) bands (ev): -28.8224 -28.8224 -28.8222 -28.8222 -28.5031 -28.5031 -28.4959 -28.4959 -11.6385 -11.6385 -11.6352 -11.6352 -11.4355 -11.4355 -11.4047 -11.4047 -10.5374 -10.5374 -10.5111 -10.5111 -10.4866 -10.4866 -10.4804 -10.4804 -10.3616 -10.3616 -10.3303 -10.3303 -10.0604 -10.0604 -10.0158 -10.0158 -1.3008 -1.3008 -1.2445 -1.2445 4.2714 4.2714 4.6673 4.6673 4.7889 4.7889 5.3393 5.3393 5.5318 5.5318 5.6558 5.6558 7.4129 7.4129 7.4937 7.4937 7.8195 7.8195 8.4376 8.4376 8.5675 8.5675 9.3213 9.3213 k =-0.1204 0.2962 1.1179 ( 6276 PWs) bands (ev): -28.8225 -28.8225 -28.8222 -28.8222 -28.5034 -28.5034 -28.4956 -28.4956 -11.6380 -11.6380 -11.6354 -11.6354 -11.4326 -11.4326 -11.4012 -11.4012 -10.5362 -10.5362 -10.5107 -10.5107 -10.4875 -10.4875 -10.4797 -10.4797 -10.3598 -10.3598 -10.3258 -10.3258 -10.0676 -10.0676 -10.0218 -10.0218 -1.2978 -1.2978 -1.2503 -1.2503 4.2411 4.2411 4.6500 4.6500 4.7995 4.7995 5.3410 5.3410 5.5333 5.5333 5.6702 5.6702 7.3886 7.3886 7.5453 7.5453 7.8565 7.8565 8.4735 8.4735 8.5969 8.5969 9.3149 9.3149 k =-0.1283 0.3157 1.0969 ( 6272 PWs) bands (ev): -28.8225 -28.8225 -28.8223 -28.8223 -28.5037 -28.5037 -28.4954 -28.4954 -11.6375 -11.6375 -11.6356 -11.6356 -11.4295 -11.4295 -11.3976 -11.3976 -10.5351 -10.5351 -10.5101 -10.5101 -10.4885 -10.4885 -10.4790 -10.4790 -10.3578 -10.3578 -10.3210 -10.3210 -10.0753 -10.0753 -10.0282 -10.0282 -1.2946 -1.2946 -1.2563 -1.2563 4.2102 4.2102 4.6245 4.6245 4.8189 4.8189 5.3439 5.3439 5.5356 5.5356 5.6845 5.6845 7.3609 7.3609 7.5992 7.5992 7.8951 7.8951 8.5164 8.5164 8.6277 8.6277 9.3020 9.3020 k =-0.1362 0.3351 1.0759 ( 6278 PWs) bands (ev): -28.8226 -28.8226 -28.8223 -28.8223 -28.5040 -28.5040 -28.4951 -28.4951 -11.6369 -11.6369 -11.6358 -11.6358 -11.4264 -11.4264 -11.3939 -11.3939 -10.5341 -10.5341 -10.5093 -10.5093 -10.4894 -10.4894 -10.4783 -10.4783 -10.3554 -10.3554 -10.3160 -10.3160 -10.0833 -10.0833 -10.0350 -10.0350 -1.2914 -1.2914 -1.2624 -1.2624 4.1794 4.1794 4.5956 4.5956 4.8418 4.8418 5.3485 5.3485 5.5391 5.5391 5.6984 5.6984 7.3309 7.3309 7.6548 7.6548 7.9349 7.9349 8.5656 8.5656 8.6599 8.6599 9.2826 9.2826 k =-0.1441 0.3546 1.0549 ( 6274 PWs) bands (ev): -28.8226 -28.8226 -28.8223 -28.8223 -28.5042 -28.5042 -28.4949 -28.4949 -11.6365 -11.6365 -11.6360 -11.6360 -11.4232 -11.4232 -11.3902 -11.3902 -10.5332 -10.5332 -10.5084 -10.5084 -10.4903 -10.4903 -10.4777 -10.4777 -10.3528 -10.3528 -10.3106 -10.3106 -10.0916 -10.0916 -10.0422 -10.0422 -1.2882 -1.2882 -1.2686 -1.2686 4.1488 4.1488 4.5653 4.5653 4.8654 4.8654 5.3551 5.3551 5.5439 5.5439 5.7121 5.7121 7.2994 7.2994 7.7117 7.7117 7.9754 7.9754 8.6199 8.6199 8.6934 8.6934 9.2578 9.2578 k =-0.1520 0.3740 1.0339 ( 6270 PWs) bands (ev): -28.8226 -28.8226 -28.8224 -28.8224 -28.5045 -28.5045 -28.4947 -28.4947 -11.6363 -11.6363 -11.6358 -11.6358 -11.4199 -11.4199 -11.3864 -11.3864 -10.5324 -10.5324 -10.5074 -10.5074 -10.4911 -10.4911 -10.4770 -10.4770 -10.3500 -10.3500 -10.3050 -10.3050 -10.1002 -10.1002 -10.0498 -10.0498 -1.2851 -1.2851 -1.2746 -1.2746 4.1189 4.1189 4.5350 4.5350 4.8879 4.8879 5.3643 5.3643 5.5503 5.5503 5.7255 5.7255 7.2673 7.2673 7.7694 7.7694 8.0162 8.0162 8.6780 8.6780 8.7282 8.7282 9.2293 9.2293 k =-0.1599 0.3935 1.0129 ( 6268 PWs) bands (ev): -28.8227 -28.8227 -28.8224 -28.8224 -28.5047 -28.5047 -28.4945 -28.4945 -11.6365 -11.6365 -11.6353 -11.6353 -11.4167 -11.4167 -11.3827 -11.3827 -10.5316 -10.5316 -10.5064 -10.5064 -10.4918 -10.4918 -10.4764 -10.4764 -10.3468 -10.3468 -10.2991 -10.2991 -10.1090 -10.1090 -10.0577 -10.0577 -1.2835 -1.2835 -1.2791 -1.2791 4.0898 4.0898 4.5051 4.5051 4.9081 4.9081 5.3761 5.3761 5.5583 5.5583 5.7387 5.7387 7.2349 7.2349 7.8278 7.8278 8.0569 8.0569 8.7358 8.7358 8.7664 8.7664 9.1994 9.1994 k =-0.1678 0.4130 0.9919 ( 6267 PWs) bands (ev): -28.8227 -28.8227 -28.8224 -28.8224 -28.5050 -28.5050 -28.4944 -28.4944 -11.6367 -11.6367 -11.6348 -11.6348 -11.4135 -11.4135 -11.3791 -11.3791 -10.5309 -10.5309 -10.5055 -10.5055 -10.4923 -10.4923 -10.4759 -10.4759 -10.3432 -10.3432 -10.2929 -10.2929 -10.1181 -10.1181 -10.0659 -10.0659 -1.2879 -1.2879 -1.2775 -1.2775 4.0617 4.0617 4.4763 4.4763 4.9253 4.9253 5.3908 5.3908 5.5681 5.5681 5.7517 5.7517 7.2029 7.2029 7.8864 7.8864 8.0970 8.0970 8.7832 8.7832 8.8152 8.8152 9.1715 9.1715 k =-0.1757 0.4324 0.9709 ( 6269 PWs) bands (ev): -28.8227 -28.8227 -28.8225 -28.8225 -28.5052 -28.5052 -28.4942 -28.4942 -11.6369 -11.6369 -11.6343 -11.6343 -11.4103 -11.4103 -11.3756 -11.3756 -10.5302 -10.5302 -10.5047 -10.5047 -10.4926 -10.4926 -10.4754 -10.4754 -10.3394 -10.3394 -10.2865 -10.2865 -10.1272 -10.1272 -10.0744 -10.0744 -1.2936 -1.2936 -1.2745 -1.2745 4.0350 4.0350 4.4487 4.4487 4.9390 4.9390 5.4078 5.4078 5.5794 5.5794 5.7648 5.7648 7.1717 7.1717 7.9450 7.9450 8.1357 8.1357 8.8193 8.8193 8.8703 8.8703 9.1515 9.1515 k =-0.1837 0.4519 0.9499 ( 6271 PWs) bands (ev): -28.8228 -28.8228 -28.8225 -28.8225 -28.5054 -28.5054 -28.4940 -28.4940 -11.6370 -11.6370 -11.6338 -11.6338 -11.4073 -11.4073 -11.3723 -11.3723 -10.5295 -10.5295 -10.5043 -10.5043 -10.4926 -10.4926 -10.4749 -10.4749 -10.3352 -10.3352 -10.2799 -10.2799 -10.1365 -10.1365 -10.0831 -10.0831 -1.2992 -1.2992 -1.2715 -1.2715 4.0098 4.0098 4.4226 4.4226 4.9494 4.9494 5.4267 5.4267 5.5920 5.5920 5.7782 5.7782 7.1417 7.1417 8.0032 8.0032 8.1723 8.1723 8.8506 8.8506 8.9154 8.9154 9.1497 9.1497 k =-0.1916 0.4713 0.9289 ( 6274 PWs) bands (ev): -28.8228 -28.8228 -28.8225 -28.8225 -28.5056 -28.5056 -28.4939 -28.4939 -11.6372 -11.6372 -11.6334 -11.6334 -11.4044 -11.4044 -11.3691 -11.3691 -10.5288 -10.5288 -10.5042 -10.5042 -10.4923 -10.4923 -10.4745 -10.4745 -10.3307 -10.3307 -10.2730 -10.2730 -10.1458 -10.1458 -10.0920 -10.0920 -1.3046 -1.3046 -1.2686 -1.2686 3.9863 3.9863 4.3982 4.3982 4.9566 4.9566 5.4466 5.4466 5.6056 5.6056 5.7923 5.7923 7.1132 7.1132 8.0606 8.0606 8.2058 8.2058 8.8780 8.8780 8.9391 8.9391 9.1774 9.1774 k =-0.1995 0.4908 0.9079 ( 6266 PWs) bands (ev): -28.8228 -28.8228 -28.8226 -28.8226 -28.5057 -28.5057 -28.4938 -28.4938 -11.6373 -11.6373 -11.6330 -11.6330 -11.4016 -11.4016 -11.3661 -11.3661 -10.5281 -10.5281 -10.5044 -10.5044 -10.4917 -10.4917 -10.4741 -10.4741 -10.3259 -10.3259 -10.2659 -10.2659 -10.1550 -10.1550 -10.1011 -10.1011 -1.3096 -1.3096 -1.2659 -1.2659 3.9645 3.9645 4.3757 4.3757 4.9612 4.9612 5.4666 5.4666 5.6194 5.6194 5.8074 5.8074 7.0865 7.0865 8.1168 8.1168 8.2351 8.2351 8.8993 8.8993 8.9456 8.9456 9.2331 9.2331 k =-0.2074 0.5102 0.8869 ( 6264 PWs) bands (ev): -28.8229 -28.8229 -28.8226 -28.8226 -28.5059 -28.5059 -28.4937 -28.4937 -11.6374 -11.6374 -11.6326 -11.6326 -11.3991 -11.3991 -11.3633 -11.3633 -10.5274 -10.5274 -10.5049 -10.5049 -10.4909 -10.4909 -10.4738 -10.4738 -10.3208 -10.3208 -10.2586 -10.2586 -10.1642 -10.1642 -10.1102 -10.1102 -1.3143 -1.3143 -1.2634 -1.2634 3.9447 3.9447 4.3552 4.3552 4.9637 4.9637 5.4860 5.4860 5.6328 5.6328 5.8237 5.8237 7.0618 7.0618 8.1711 8.1711 8.2590 8.2590 8.9114 8.9114 8.9505 8.9505 9.3052 9.3052 k =-0.2153 0.5297 0.8658 ( 6268 PWs) bands (ev): -28.8229 -28.8229 -28.8226 -28.8226 -28.5060 -28.5060 -28.4936 -28.4936 -11.6375 -11.6375 -11.6323 -11.6323 -11.3968 -11.3968 -11.3608 -11.3608 -10.5266 -10.5266 -10.5056 -10.5056 -10.4900 -10.4900 -10.4736 -10.4736 -10.3155 -10.3155 -10.2511 -10.2511 -10.1730 -10.1730 -10.1195 -10.1195 -1.3185 -1.3185 -1.2611 -1.2611 3.9270 3.9270 4.3369 4.3369 4.9647 4.9647 5.5041 5.5041 5.6447 5.6447 5.8411 5.8411 7.0393 7.0393 8.2227 8.2227 8.2769 8.2769 8.9168 8.9168 8.9597 8.9597 9.3856 9.3856 k =-0.2232 0.5492 0.8448 ( 6260 PWs) bands (ev): -28.8229 -28.8229 -28.8226 -28.8226 -28.5061 -28.5061 -28.4935 -28.4935 -11.6376 -11.6376 -11.6320 -11.6320 -11.3947 -11.3947 -11.3586 -11.3586 -10.5259 -10.5259 -10.5064 -10.5064 -10.4891 -10.4891 -10.4733 -10.4733 -10.3101 -10.3101 -10.2437 -10.2437 -10.1815 -10.1815 -10.1287 -10.1287 -1.3222 -1.3222 -1.2590 -1.2590 3.9114 3.9114 4.3208 4.3208 4.9646 4.9646 5.5206 5.5206 5.6548 5.6548 5.8594 5.8594 7.0193 7.0193 8.2686 8.2686 8.2908 8.2908 8.9240 8.9240 8.9689 8.9689 9.4671 9.4671 k =-0.2311 0.5686 0.8238 ( 6259 PWs) bands (ev): -28.8229 -28.8229 -28.8227 -28.8227 -28.5062 -28.5062 -28.4934 -28.4934 -11.6377 -11.6377 -11.6317 -11.6317 -11.3929 -11.3929 -11.3567 -11.3567 -10.5252 -10.5252 -10.5072 -10.5072 -10.4882 -10.4882 -10.4732 -10.4732 -10.3046 -10.3046 -10.2363 -10.2363 -10.1893 -10.1893 -10.1380 -10.1380 -1.3255 -1.3255 -1.2572 -1.2572 3.8981 3.8981 4.3071 4.3071 4.9638 4.9638 5.5352 5.5352 5.6626 5.6626 5.8777 5.8777 7.0019 7.0019 8.2875 8.2875 8.3215 8.3215 8.9373 8.9373 8.9755 8.9755 9.4618 9.4618 k =-0.2390 0.5881 0.8028 ( 6255 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5063 -28.5063 -28.4933 -28.4933 -11.6378 -11.6378 -11.6315 -11.6315 -11.3914 -11.3914 -11.3551 -11.3551 -10.5245 -10.5245 -10.5080 -10.5080 -10.4875 -10.4875 -10.4730 -10.4730 -10.2992 -10.2992 -10.2293 -10.2293 -10.1959 -10.1959 -10.1470 -10.1470 -1.3281 -1.3281 -1.2558 -1.2558 3.8871 3.8871 4.2957 4.2957 4.9628 4.9628 5.5477 5.5477 5.6683 5.6683 5.8949 5.8949 6.9874 6.9874 8.2889 8.2889 8.3601 8.3601 8.9551 8.9551 8.9814 8.9814 9.4017 9.4017 k =-0.2469 0.6075 0.7818 ( 6257 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5064 -28.5064 -28.4933 -28.4933 -11.6378 -11.6378 -11.6313 -11.6313 -11.3902 -11.3902 -11.3539 -11.3539 -10.5239 -10.5239 -10.5086 -10.5086 -10.4869 -10.4869 -10.4729 -10.4729 -10.2943 -10.2943 -10.2238 -10.2238 -10.2003 -10.2003 -10.1558 -10.1558 -1.3303 -1.3303 -1.2546 -1.2546 3.8785 3.8785 4.2868 4.2868 4.9617 4.9617 5.5579 5.5579 5.6721 5.6721 5.9099 5.9099 6.9759 6.9759 8.2863 8.2863 8.3933 8.3933 8.9663 8.9663 8.9974 8.9974 9.3440 9.3440 k =-0.2548 0.6270 0.7608 ( 6259 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5064 -28.5064 -28.4932 -28.4932 -11.6379 -11.6379 -11.6312 -11.6312 -11.3893 -11.3893 -11.3530 -11.3530 -10.5234 -10.5234 -10.5092 -10.5092 -10.4865 -10.4865 -10.4729 -10.4729 -10.2902 -10.2902 -10.2214 -10.2214 -10.2006 -10.2006 -10.1640 -10.1640 -1.3318 -1.3318 -1.2538 -1.2538 3.8723 3.8723 4.2805 4.2805 4.9608 4.9608 5.5654 5.5654 5.6743 5.6743 5.9215 5.9215 6.9676 6.9676 8.2828 8.2828 8.4188 8.4188 8.9671 8.9671 9.0253 9.0253 9.2925 9.2925 k =-0.2627 0.6465 0.7398 ( 6267 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5065 -28.5065 -28.4932 -28.4932 -11.6379 -11.6379 -11.6312 -11.6312 -11.3888 -11.3888 -11.3525 -11.3525 -10.5231 -10.5231 -10.5096 -10.5096 -10.4862 -10.4862 -10.4728 -10.4728 -10.2873 -10.2873 -10.2217 -10.2217 -10.1976 -10.1976 -10.1708 -10.1708 -1.3327 -1.3327 -1.2533 -1.2533 3.8686 3.8686 4.2766 4.2766 4.9602 4.9602 5.5701 5.5701 5.6755 5.6755 5.9289 5.9289 6.9625 6.9625 8.2799 8.2799 8.4348 8.4348 8.9658 8.9658 9.0525 9.0525 9.2525 9.2525 k =-0.2706 0.6659 0.7188 ( 6258 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5065 -28.5065 -28.4932 -28.4932 -11.6379 -11.6379 -11.6311 -11.6311 -11.3886 -11.3886 -11.3523 -11.3523 -10.5230 -10.5230 -10.5097 -10.5097 -10.4861 -10.4861 -10.4728 -10.4728 -10.2863 -10.2863 -10.2223 -10.2223 -10.1955 -10.1955 -10.1737 -10.1737 -1.3330 -1.3330 -1.2531 -1.2531 3.8673 3.8673 4.2754 4.2754 4.9599 4.9599 5.5716 5.5716 5.6758 5.6758 5.9314 5.9314 6.9608 6.9608 8.2788 8.2788 8.4403 8.4403 8.9651 8.9651 9.0650 9.0650 9.2359 9.2359 k =-0.2706 0.6659 0.7188 ( 6258 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5065 -28.5065 -28.4932 -28.4932 -11.6379 -11.6379 -11.6311 -11.6311 -11.3886 -11.3886 -11.3523 -11.3523 -10.5230 -10.5230 -10.5097 -10.5097 -10.4861 -10.4861 -10.4728 -10.4728 -10.2863 -10.2863 -10.2223 -10.2223 -10.1955 -10.1955 -10.1737 -10.1737 -1.3330 -1.3330 -1.2531 -1.2531 3.8673 3.8673 4.2754 4.2754 4.9599 4.9599 5.5716 5.5716 5.6758 5.6758 5.9314 5.9314 6.9608 6.9608 8.2788 8.2788 8.4403 8.4403 8.9651 8.9651 9.0650 9.0650 9.2359 9.2359 k =-0.2627 0.6463 0.6977 ( 6258 PWs) bands (ev): -28.8228 -28.8228 -28.8228 -28.8228 -28.5039 -28.5039 -28.4958 -28.4958 -11.6372 -11.6372 -11.6320 -11.6320 -11.3817 -11.3817 -11.3590 -11.3590 -10.5230 -10.5230 -10.5100 -10.5100 -10.4861 -10.4861 -10.4727 -10.4727 -10.2765 -10.2765 -10.2283 -10.2283 -10.1977 -10.1977 -10.1764 -10.1764 -1.3342 -1.3342 -1.2462 -1.2462 3.8595 3.8595 4.2801 4.2801 4.9505 4.9505 5.5700 5.5700 5.6687 5.6687 5.9274 5.9274 6.9691 6.9691 8.3066 8.3066 8.4164 8.4164 8.9401 8.9401 9.0734 9.0734 9.2293 9.2293 k =-0.2547 0.6267 0.6765 ( 6258 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5014 -28.5014 -28.4983 -28.4983 -11.6365 -11.6365 -11.6328 -11.6328 -11.3754 -11.3754 -11.3652 -11.3652 -10.5231 -10.5231 -10.5104 -10.5104 -10.4860 -10.4860 -10.4725 -10.4725 -10.2693 -10.2693 -10.2338 -10.2338 -10.1987 -10.1987 -10.1776 -10.1776 -1.3374 -1.3374 -1.2401 -1.2401 3.8574 3.8574 4.2887 4.2887 4.9376 4.9376 5.5691 5.5691 5.6630 5.6630 5.9250 5.9250 6.9738 6.9738 8.3318 8.3318 8.3946 8.3946 8.9145 8.9145 9.0768 9.0768 9.2163 9.2163 k =-0.2468 0.6072 0.6554 ( 6254 PWs) bands (ev): -28.8231 -28.8231 -28.8226 -28.8226 -28.5009 -28.5009 -28.4988 -28.4988 -11.6358 -11.6358 -11.6336 -11.6336 -11.3752 -11.3752 -11.3653 -11.3653 -10.5231 -10.5231 -10.5107 -10.5107 -10.4858 -10.4858 -10.4723 -10.4723 -10.2682 -10.2682 -10.2345 -10.2345 -10.1989 -10.1989 -10.1777 -10.1777 -1.3427 -1.3427 -1.2348 -1.2348 3.8611 3.8611 4.3010 4.3010 4.9212 4.9212 5.5690 5.5690 5.6586 5.6586 5.9244 5.9244 6.9746 6.9746 8.3489 8.3489 8.3794 8.3794 8.8884 8.8884 9.0752 9.0752 9.2002 9.2002 k =-0.2388 0.5876 0.6342 ( 6249 PWs) bands (ev): -28.8232 -28.8232 -28.8224 -28.8224 -28.5035 -28.5035 -28.4962 -28.4962 -11.6353 -11.6353 -11.6342 -11.6342 -11.3813 -11.3813 -11.3592 -11.3592 -10.5232 -10.5232 -10.5110 -10.5110 -10.4856 -10.4856 -10.4720 -10.4720 -10.2742 -10.2742 -10.2297 -10.2297 -10.1985 -10.1985 -10.1766 -10.1766 -1.3501 -1.3501 -1.2303 -1.2303 3.8706 3.8706 4.3170 4.3170 4.9017 4.9017 5.5700 5.5700 5.6555 5.6555 5.9255 5.9255 6.9712 6.9712 8.3421 8.3421 8.3855 8.3855 8.8621 8.8621 9.0685 9.0685 9.1832 9.1832 k =-0.2308 0.5680 0.6131 ( 6253 PWs) bands (ev): -28.8234 -28.8234 -28.8223 -28.8223 -28.5060 -28.5060 -28.4937 -28.4937 -11.6354 -11.6354 -11.6340 -11.6340 -11.3882 -11.3882 -11.3524 -11.3524 -10.5232 -10.5232 -10.5113 -10.5113 -10.4853 -10.4853 -10.4716 -10.4716 -10.2836 -10.2836 -10.2231 -10.2231 -10.1972 -10.1972 -10.1741 -10.1741 -1.3595 -1.3595 -1.2266 -1.2266 3.8857 3.8857 4.3366 4.3366 4.8793 4.8793 5.5721 5.5721 5.6537 5.6537 5.9284 5.9284 6.9631 6.9631 8.3246 8.3246 8.3995 8.3995 8.8359 8.8359 9.0570 9.0570 9.1667 9.1667 k =-0.2229 0.5484 0.5920 ( 6257 PWs) bands (ev): -28.8235 -28.8235 -28.8222 -28.8222 -28.5085 -28.5085 -28.4912 -28.4912 -11.6359 -11.6359 -11.6334 -11.6334 -11.3952 -11.3952 -11.3455 -11.3455 -10.5232 -10.5232 -10.5116 -10.5116 -10.4851 -10.4851 -10.4712 -10.4712 -10.2943 -10.2943 -10.2177 -10.2177 -10.1946 -10.1946 -10.1701 -10.1701 -1.3708 -1.3708 -1.2238 -1.2238 3.9063 3.9063 4.3596 4.3596 4.8547 4.8547 5.5753 5.5753 5.6531 5.6531 5.9331 5.9331 6.9501 6.9501 8.3061 8.3061 8.4116 8.4116 8.8102 8.8102 9.0409 9.0409 9.1511 9.1511 k =-0.2149 0.5288 0.5708 ( 6267 PWs) bands (ev): -28.8237 -28.8237 -28.8221 -28.8221 -28.5110 -28.5110 -28.4887 -28.4887 -11.6365 -11.6365 -11.6328 -11.6328 -11.4021 -11.4021 -11.3387 -11.3387 -10.5232 -10.5232 -10.5120 -10.5120 -10.4848 -10.4848 -10.4707 -10.4707 -10.3054 -10.3054 -10.2146 -10.2146 -10.1908 -10.1908 -10.1640 -10.1640 -1.3839 -1.3839 -1.2218 -1.2218 3.9321 3.9321 4.3857 4.3857 4.8285 4.8285 5.5798 5.5798 5.6537 5.6537 5.9396 5.9396 6.9320 6.9320 8.2880 8.2880 8.4207 8.4207 8.7852 8.7852 9.0206 9.0206 9.1360 9.1360 k =-0.2070 0.5092 0.5497 ( 6269 PWs) bands (ev): -28.8238 -28.8238 -28.8219 -28.8219 -28.5135 -28.5135 -28.4862 -28.4862 -11.6370 -11.6370 -11.6321 -11.6321 -11.4091 -11.4091 -11.3321 -11.3321 -10.5231 -10.5231 -10.5123 -10.5123 -10.4845 -10.4845 -10.4702 -10.4702 -10.3166 -10.3166 -10.2133 -10.2133 -10.1867 -10.1867 -10.1558 -10.1558 -1.3988 -1.3988 -1.2206 -1.2206 3.9626 3.9626 4.4147 4.4147 4.8018 4.8018 5.5856 5.5856 5.6555 5.6555 5.9479 5.9479 6.9087 6.9087 8.2704 8.2704 8.4273 8.4273 8.7612 8.7612 8.9964 8.9964 9.1205 9.1205 k =-0.1990 0.4896 0.5285 ( 6265 PWs) bands (ev): -28.8240 -28.8240 -28.8218 -28.8218 -28.5160 -28.5160 -28.4837 -28.4837 -11.6374 -11.6374 -11.6314 -11.6314 -11.4159 -11.4159 -11.3255 -11.3255 -10.5230 -10.5230 -10.5126 -10.5126 -10.4842 -10.4842 -10.4697 -10.4697 -10.3278 -10.3278 -10.2129 -10.2129 -10.1829 -10.1829 -10.1460 -10.1460 -1.4151 -1.4151 -1.2201 -1.2201 3.9971 3.9971 4.4458 4.4458 4.7759 4.7759 5.5926 5.5926 5.6585 5.6585 5.9579 5.9579 6.8806 6.8806 8.2533 8.2533 8.4319 8.4319 8.7385 8.7385 8.9687 8.9687 9.1034 9.1034 k =-0.1910 0.4701 0.5074 ( 6273 PWs) bands (ev): -28.8241 -28.8241 -28.8217 -28.8217 -28.5184 -28.5184 -28.4813 -28.4813 -11.6378 -11.6378 -11.6308 -11.6308 -11.4227 -11.4227 -11.3191 -11.3191 -10.5228 -10.5228 -10.5130 -10.5130 -10.4839 -10.4839 -10.4691 -10.4691 -10.3388 -10.3388 -10.2130 -10.2130 -10.1795 -10.1795 -10.1351 -10.1351 -1.4329 -1.4329 -1.2203 -1.2203 4.0348 4.0348 4.4780 4.4780 4.7529 4.7529 5.6009 5.6009 5.6627 5.6627 5.9695 5.9695 6.8479 6.8479 8.2366 8.2366 8.4349 8.4349 8.7174 8.7174 8.9379 8.9379 9.0837 9.0837 k =-0.1831 0.4505 0.4863 ( 6273 PWs) bands (ev): -28.8243 -28.8243 -28.8216 -28.8216 -28.5207 -28.5207 -28.4790 -28.4790 -11.6382 -11.6382 -11.6301 -11.6301 -11.4293 -11.4293 -11.3129 -11.3129 -10.5225 -10.5225 -10.5133 -10.5133 -10.4836 -10.4836 -10.4686 -10.4686 -10.3495 -10.3495 -10.2134 -10.2134 -10.1762 -10.1762 -10.1236 -10.1236 -1.4518 -1.4518 -1.2212 -1.2212 4.0742 4.0742 4.5098 4.5098 4.7359 4.7359 5.6101 5.6101 5.6680 5.6680 5.9828 5.9828 6.8113 6.8113 8.2203 8.2203 8.4369 8.4369 8.6979 8.6979 8.9045 8.9045 9.0606 9.0606 k =-0.1751 0.4309 0.4651 ( 6271 PWs) bands (ev): -28.8245 -28.8245 -28.8215 -28.8215 -28.5231 -28.5231 -28.4766 -28.4766 -11.6385 -11.6385 -11.6295 -11.6295 -11.4358 -11.4358 -11.3068 -11.3068 -10.5223 -10.5223 -10.5135 -10.5135 -10.4833 -10.4833 -10.4680 -10.4680 -10.3600 -10.3600 -10.2139 -10.2139 -10.1730 -10.1730 -10.1119 -10.1119 -1.4717 -1.4717 -1.2228 -1.2228 4.1132 4.1132 4.5387 4.5387 4.7293 4.7293 5.6203 5.6203 5.6746 5.6746 5.9976 5.9976 6.7714 6.7714 8.2042 8.2042 8.4379 8.4379 8.6804 8.6804 8.8689 8.8689 9.0335 9.0335 k =-0.1672 0.4113 0.4440 ( 6273 PWs) bands (ev): -28.8246 -28.8246 -28.8214 -28.8214 -28.5253 -28.5253 -28.4744 -28.4744 -11.6387 -11.6387 -11.6288 -11.6288 -11.4422 -11.4422 -11.3010 -11.3010 -10.5220 -10.5220 -10.5137 -10.5137 -10.4830 -10.4830 -10.4675 -10.4675 -10.3702 -10.3702 -10.2145 -10.2145 -10.1699 -10.1699 -10.1000 -10.1000 -1.4925 -1.4925 -1.2249 -1.2249 4.1487 4.1487 4.5632 4.5632 4.7376 4.7376 5.6310 5.6310 5.6826 5.6826 6.0138 6.0138 6.7289 6.7289 8.1883 8.1883 8.4380 8.4380 8.6650 8.6650 8.8316 8.8316 9.0024 9.0024 k =-0.1592 0.3917 0.4228 ( 6283 PWs) bands (ev): -28.8248 -28.8248 -28.8213 -28.8213 -28.5275 -28.5275 -28.4722 -28.4722 -11.6389 -11.6389 -11.6282 -11.6282 -11.4484 -11.4484 -11.2953 -11.2953 -10.5219 -10.5219 -10.5138 -10.5138 -10.4828 -10.4828 -10.4670 -10.4670 -10.3799 -10.3799 -10.2150 -10.2150 -10.1668 -10.1668 -10.0882 -10.0882 -1.5139 -1.5139 -1.2275 -1.2275 4.1770 4.1770 4.5857 4.5857 4.7621 4.7621 5.6421 5.6421 5.6921 5.6921 6.0314 6.0314 6.6847 6.6847 8.1724 8.1724 8.4373 8.4373 8.6518 8.6518 8.7929 8.7929 8.9676 8.9676 k =-0.1512 0.3721 0.4017 ( 6279 PWs) bands (ev): -28.8249 -28.8249 -28.8212 -28.8212 -28.5296 -28.5296 -28.4701 -28.4701 -11.6391 -11.6391 -11.6277 -11.6277 -11.4544 -11.4544 -11.2899 -11.2899 -10.5218 -10.5218 -10.5137 -10.5137 -10.4826 -10.4826 -10.4664 -10.4664 -10.3893 -10.3893 -10.2155 -10.2155 -10.1637 -10.1637 -10.0765 -10.0765 -1.5356 -1.5356 -1.2306 -1.2306 4.1943 4.1943 4.6131 4.6131 4.7994 4.7994 5.6532 5.6532 5.7032 5.7032 6.0501 6.0501 6.6395 6.6395 8.1565 8.1565 8.4358 8.4358 8.6409 8.6409 8.7533 8.7533 8.9295 8.9295 k =-0.1433 0.3525 0.3805 ( 6289 PWs) bands (ev): -28.8251 -28.8251 -28.8212 -28.8212 -28.5317 -28.5317 -28.4680 -28.4680 -11.6392 -11.6392 -11.6271 -11.6271 -11.4602 -11.4602 -11.2847 -11.2847 -10.5218 -10.5218 -10.5134 -10.5134 -10.4826 -10.4826 -10.4659 -10.4659 -10.3982 -10.3982 -10.2160 -10.2160 -10.1607 -10.1607 -10.0651 -10.0651 -1.5576 -1.5576 -1.2340 -1.2340 4.1987 4.1987 4.6513 4.6513 4.8452 4.8452 5.6641 5.6641 5.7160 5.7160 6.0698 6.0698 6.5942 6.5942 8.1405 8.1405 8.4334 8.4334 8.6324 8.6324 8.7131 8.7131 8.8889 8.8889 k =-0.1353 0.3330 0.3594 ( 6293 PWs) bands (ev): -28.8253 -28.8253 -28.8211 -28.8211 -28.5336 -28.5336 -28.4661 -28.4661 -11.6393 -11.6393 -11.6266 -11.6266 -11.4657 -11.4657 -11.2798 -11.2798 -10.5220 -10.5220 -10.5129 -10.5129 -10.4826 -10.4826 -10.4654 -10.4654 -10.4066 -10.4066 -10.2165 -10.2165 -10.1577 -10.1577 -10.0540 -10.0540 -1.5797 -1.5797 -1.2377 -1.2377 4.1912 4.1912 4.7018 4.7018 4.8963 4.8963 5.6746 5.6746 5.7304 5.7304 6.0903 6.0903 6.5495 6.5495 8.1243 8.1243 8.4302 8.4302 8.6263 8.6263 8.6728 8.6728 8.8463 8.8463 k =-0.1274 0.3134 0.3383 ( 6285 PWs) bands (ev): -28.8254 -28.8254 -28.8210 -28.8210 -28.5355 -28.5355 -28.4642 -28.4642 -11.6393 -11.6393 -11.6261 -11.6261 -11.4711 -11.4711 -11.2751 -11.2751 -10.5222 -10.5222 -10.5122 -10.5122 -10.4828 -10.4828 -10.4649 -10.4649 -10.4146 -10.4146 -10.2169 -10.2169 -10.1547 -10.1547 -10.0432 -10.0432 -1.6015 -1.6015 -1.2417 -1.2417 4.1749 4.1749 4.7630 4.7630 4.9510 4.9510 5.6849 5.6849 5.7460 5.7460 6.1115 6.1115 6.5063 6.5063 8.1079 8.1079 8.4262 8.4262 8.6225 8.6225 8.6326 8.6326 8.8024 8.8024 k =-0.1194 0.2938 0.3171 ( 6291 PWs) bands (ev): -28.8255 -28.8255 -28.8209 -28.8209 -28.5373 -28.5373 -28.4624 -28.4624 -11.6393 -11.6393 -11.6256 -11.6256 -11.4761 -11.4761 -11.2707 -11.2707 -10.5226 -10.5226 -10.5113 -10.5113 -10.4831 -10.4831 -10.4643 -10.4643 -10.4220 -10.4220 -10.2172 -10.2172 -10.1518 -10.1518 -10.0328 -10.0328 -1.6230 -1.6230 -1.2459 -1.2459 4.1528 4.1528 4.8323 4.8323 5.0079 5.0079 5.6949 5.6949 5.7625 5.7625 6.1330 6.1330 6.4652 6.4652 8.0912 8.0912 8.4215 8.4215 8.5927 8.5927 8.6213 8.6213 8.7577 8.7577 k =-0.1114 0.2742 0.2960 ( 6289 PWs) bands (ev): -28.8257 -28.8257 -28.8209 -28.8209 -28.5390 -28.5390 -28.4607 -28.4607 -11.6393 -11.6393 -11.6251 -11.6251 -11.4810 -11.4810 -11.2666 -11.2666 -10.5230 -10.5230 -10.5103 -10.5103 -10.4837 -10.4837 -10.4638 -10.4638 -10.4288 -10.4288 -10.2175 -10.2175 -10.1489 -10.1489 -10.0228 -10.0228 -1.6439 -1.6439 -1.2501 -1.2501 4.1272 4.1272 4.9074 4.9074 5.0662 5.0662 5.7050 5.7050 5.7793 5.7793 6.1545 6.1545 6.4273 6.4273 8.0743 8.0743 8.4160 8.4160 8.5536 8.5536 8.6221 8.6221 8.7128 8.7128 k =-0.1035 0.2546 0.2748 ( 6285 PWs) bands (ev): -28.8258 -28.8258 -28.8208 -28.8208 -28.5406 -28.5406 -28.4591 -28.4591 -11.6393 -11.6393 -11.6247 -11.6247 -11.4855 -11.4855 -11.2627 -11.2627 -10.5235 -10.5235 -10.5093 -10.5093 -10.4844 -10.4844 -10.4633 -10.4633 -10.4351 -10.4351 -10.2178 -10.2178 -10.1462 -10.1462 -10.0133 -10.0133 -1.6642 -1.6642 -1.2544 -1.2544 4.1000 4.1000 4.9864 4.9864 5.1251 5.1251 5.7151 5.7151 5.7961 5.7961 6.1756 6.1756 6.3935 6.3935 8.0571 8.0571 8.4100 8.4100 8.5156 8.5156 8.6251 8.6251 8.6679 8.6679 k =-0.0955 0.2350 0.2537 ( 6293 PWs) bands (ev): -28.8260 -28.8260 -28.8208 -28.8208 -28.5421 -28.5421 -28.4576 -28.4576 -11.6392 -11.6392 -11.6243 -11.6243 -11.4897 -11.4897 -11.2591 -11.2591 -10.5239 -10.5239 -10.5081 -10.5081 -10.4854 -10.4854 -10.4628 -10.4628 -10.4407 -10.4407 -10.2180 -10.2180 -10.1436 -10.1436 -10.0044 -10.0044 -1.6836 -1.6836 -1.2586 -1.2586 4.0724 4.0724 5.0674 5.0674 5.1837 5.1837 5.7256 5.7256 5.8122 5.8122 6.1956 6.1956 6.3651 6.3651 8.0398 8.0398 8.4035 8.4035 8.4789 8.4789 8.6226 8.6226 8.6305 8.6305 k =-0.0876 0.2154 0.2326 ( 6289 PWs) bands (ev): -28.8261 -28.8261 -28.8207 -28.8207 -28.5435 -28.5435 -28.4562 -28.4562 -11.6391 -11.6391 -11.6240 -11.6240 -11.4937 -11.4937 -11.2558 -11.2558 -10.5244 -10.5244 -10.5069 -10.5069 -10.4865 -10.4865 -10.4622 -10.4622 -10.4458 -10.4458 -10.2182 -10.2182 -10.1410 -10.1410 -9.9960 -9.9960 -1.7020 -1.7020 -1.2628 -1.2628 4.0452 4.0452 5.1489 5.1489 5.2413 5.2413 5.7365 5.7365 5.8270 5.8270 6.2133 6.2133 6.3439 6.3439 8.0224 8.0224 8.3965 8.3965 8.4437 8.4437 8.5784 8.5784 8.6367 8.6367 k =-0.0796 0.1959 0.2114 ( 6285 PWs) bands (ev): -28.8262 -28.8262 -28.8207 -28.8207 -28.5447 -28.5447 -28.4549 -28.4549 -11.6390 -11.6390 -11.6236 -11.6236 -11.4973 -11.4973 -11.2528 -11.2528 -10.5248 -10.5248 -10.5058 -10.5058 -10.4879 -10.4879 -10.4617 -10.4617 -10.4502 -10.4502 -10.2184 -10.2184 -10.1387 -10.1387 -9.9883 -9.9883 -1.7193 -1.7193 -1.2668 -1.2668 4.0190 4.0190 5.2292 5.2292 5.2973 5.2973 5.7481 5.7481 5.8398 5.8398 6.2273 6.2273 6.3320 6.3320 8.0051 8.0051 8.3891 8.3891 8.4103 8.4103 8.5339 8.5339 8.6447 8.6447 k =-0.0716 0.1763 0.1903 ( 6289 PWs) bands (ev): -28.8263 -28.8263 -28.8206 -28.8206 -28.5459 -28.5459 -28.4538 -28.4538 -11.6390 -11.6390 -11.6233 -11.6233 -11.5006 -11.5006 -11.2501 -11.2501 -10.5252 -10.5252 -10.5046 -10.5046 -10.4894 -10.4894 -10.4613 -10.4613 -10.4539 -10.4539 -10.2185 -10.2185 -10.1365 -10.1365 -9.9811 -9.9811 -1.7352 -1.7352 -1.2706 -1.2706 3.9943 3.9943 5.3059 5.3059 5.3515 5.3515 5.7607 5.7607 5.8499 5.8499 6.2368 6.2368 6.3309 6.3309 7.9880 7.9880 8.3790 8.3790 8.3814 8.3814 8.4895 8.4895 8.6537 8.6537 k =-0.0637 0.1567 0.1691 ( 6293 PWs) bands (ev): -28.8264 -28.8264 -28.8206 -28.8206 -28.5470 -28.5470 -28.4527 -28.4527 -11.6389 -11.6389 -11.6231 -11.6231 -11.5036 -11.5036 -11.2476 -11.2476 -10.5255 -10.5255 -10.5036 -10.5036 -10.4908 -10.4908 -10.4610 -10.4610 -10.4570 -10.4570 -10.2186 -10.2186 -10.1345 -10.1345 -9.9747 -9.9747 -1.7499 -1.7499 -1.2742 -1.2742 3.9715 3.9715 5.3742 5.3742 5.4061 5.4061 5.7745 5.7745 5.8567 5.8567 6.2435 6.2435 6.3392 6.3392 7.9714 7.9714 8.3502 8.3502 8.3726 8.3726 8.4452 8.4452 8.6633 8.6633 k =-0.0557 0.1371 0.1480 ( 6301 PWs) bands (ev): -28.8265 -28.8265 -28.8206 -28.8206 -28.5479 -28.5479 -28.4518 -28.4518 -11.6388 -11.6388 -11.6228 -11.6228 -11.5063 -11.5063 -11.2455 -11.2455 -10.5258 -10.5258 -10.5029 -10.5029 -10.4922 -10.4922 -10.4614 -10.4614 -10.4590 -10.4590 -10.2187 -10.2187 -10.1327 -10.1327 -9.9689 -9.9689 -1.7630 -1.7630 -1.2774 -1.2774 3.9509 3.9509 5.4273 5.4273 5.4656 5.4656 5.7894 5.7894 5.8601 5.8601 6.2506 6.2506 6.3535 6.3535 7.9554 7.9554 8.3239 8.3239 8.3610 8.3610 8.4034 8.4034 8.6730 8.6730 k =-0.0478 0.1175 0.1268 ( 6303 PWs) bands (ev): -28.8265 -28.8265 -28.8205 -28.8205 -28.5487 -28.5487 -28.4510 -28.4510 -11.6387 -11.6387 -11.6226 -11.6226 -11.5086 -11.5086 -11.2436 -11.2436 -10.5260 -10.5260 -10.5024 -10.5024 -10.4932 -10.4932 -10.4630 -10.4630 -10.4593 -10.4593 -10.2188 -10.2188 -10.1311 -10.1311 -9.9638 -9.9638 -1.7746 -1.7746 -1.2803 -1.2803 3.9326 3.9326 5.4675 5.4675 5.5253 5.5253 5.8055 5.8055 5.8603 5.8603 6.2602 6.2602 6.3708 6.3708 7.9404 7.9404 8.3005 8.3005 8.3363 8.3363 8.3746 8.3746 8.6822 8.6822 k =-0.0398 0.0979 0.1057 ( 6305 PWs) bands (ev): -28.8266 -28.8266 -28.8205 -28.8205 -28.5494 -28.5494 -28.4503 -28.4503 -11.6386 -11.6386 -11.6224 -11.6224 -11.5106 -11.5106 -11.2420 -11.2420 -10.5262 -10.5262 -10.5024 -10.5024 -10.4937 -10.4937 -10.4648 -10.4648 -10.4591 -10.4591 -10.2188 -10.2188 -10.1297 -10.1297 -9.9595 -9.9595 -1.7845 -1.7845 -1.2829 -1.2829 3.9169 3.9169 5.4994 5.4994 5.5793 5.5793 5.8217 5.8217 5.8580 5.8580 6.2721 6.2721 6.3896 6.3896 7.9268 7.9268 8.2801 8.2801 8.2963 8.2963 8.3622 8.3622 8.6900 8.6900 k =-0.0318 0.0783 0.0846 ( 6309 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5500 -28.5500 -28.4497 -28.4497 -11.6385 -11.6385 -11.6223 -11.6223 -11.5122 -11.5122 -11.2407 -11.2407 -10.5264 -10.5264 -10.5028 -10.5028 -10.4938 -10.4938 -10.4663 -10.4663 -10.4589 -10.4589 -10.2189 -10.2189 -10.1286 -10.1286 -9.9560 -9.9560 -1.7927 -1.7927 -1.2850 -1.2850 3.9038 3.9038 5.5242 5.5242 5.6253 5.6253 5.8360 5.8360 5.8553 5.8553 6.2850 6.2850 6.4085 6.4085 7.9148 7.9148 8.2537 8.2537 8.2637 8.2637 8.3550 8.3550 8.6956 8.6956 k =-0.0239 0.0588 0.0634 ( 6313 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5504 -28.5504 -28.4493 -28.4493 -11.6385 -11.6385 -11.6222 -11.6222 -11.5135 -11.5135 -11.2397 -11.2397 -10.5265 -10.5265 -10.5034 -10.5034 -10.4936 -10.4936 -10.4675 -10.4675 -10.4587 -10.4587 -10.2189 -10.2189 -10.1277 -10.1277 -9.9532 -9.9532 -1.7991 -1.7991 -1.2866 -1.2866 3.8936 3.8936 5.5425 5.5425 5.6626 5.6626 5.8401 5.8401 5.8598 5.8598 6.2971 6.2971 6.4264 6.4264 7.9050 7.9050 8.2159 8.2159 8.2501 8.2501 8.3497 8.3497 8.6984 8.6984 k =-0.0159 0.0392 0.0423 ( 6313 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5507 -28.5507 -28.4489 -28.4489 -11.6384 -11.6384 -11.6221 -11.6221 -11.5144 -11.5144 -11.2390 -11.2390 -10.5265 -10.5265 -10.5039 -10.5039 -10.4934 -10.4934 -10.4684 -10.4684 -10.4585 -10.4585 -10.2189 -10.2189 -10.1270 -10.1270 -9.9512 -9.9512 -1.8038 -1.8038 -1.2878 -1.2878 3.8862 3.8862 5.5551 5.5551 5.6905 5.6905 5.8356 5.8356 5.8698 5.8698 6.3067 6.3067 6.4413 6.4413 7.8977 7.8977 8.1855 8.1855 8.2404 8.2404 8.3460 8.3460 8.6990 8.6990 k =-0.0080 0.0196 0.0211 ( 6307 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5509 -28.5509 -28.4488 -28.4488 -11.6384 -11.6384 -11.6221 -11.6221 -11.5149 -11.5149 -11.2386 -11.2386 -10.5266 -10.5266 -10.5043 -10.5043 -10.4931 -10.4931 -10.4689 -10.4689 -10.4584 -10.4584 -10.2189 -10.2189 -10.1266 -10.1266 -9.9500 -9.9500 -1.8066 -1.8066 -1.2886 -1.2886 3.8818 3.8818 5.5624 5.5624 5.7083 5.7083 5.8308 5.8308 5.8772 5.8772 6.3128 6.3128 6.4513 6.4513 7.8931 7.8931 8.1658 8.1658 8.2345 8.2345 8.3437 8.3437 8.6988 8.6988 k = 0.0000 0.0000 0.0000 ( 6313 PWs) bands (ev): -28.8268 -28.8268 -28.8205 -28.8205 -28.5510 -28.5510 -28.4487 -28.4487 -11.6384 -11.6384 -11.6221 -11.6221 -11.5151 -11.5151 -11.2384 -11.2384 -10.5266 -10.5266 -10.5044 -10.5044 -10.4931 -10.4931 -10.4691 -10.4691 -10.4584 -10.4584 -10.2189 -10.2189 -10.1265 -10.1265 -9.9496 -9.9496 -1.8075 -1.8075 -1.2888 -1.2888 3.8803 3.8803 5.5648 5.5648 5.7145 5.7145 5.8289 5.8289 5.8797 5.8797 6.3148 6.3148 6.4549 6.4549 7.8916 7.8916 8.1590 8.1590 8.2325 8.2325 8.3430 8.3430 8.6985 8.6986 k = 0.0000 0.0000 0.0000 ( 6313 PWs) bands (ev): -28.8268 -28.8268 -28.8205 -28.8205 -28.5510 -28.5510 -28.4487 -28.4487 -11.6384 -11.6384 -11.6221 -11.6221 -11.5151 -11.5151 -11.2384 -11.2384 -10.5266 -10.5266 -10.5044 -10.5044 -10.4931 -10.4931 -10.4691 -10.4691 -10.4584 -10.4584 -10.2189 -10.2189 -10.1265 -10.1265 -9.9496 -9.9496 -1.8075 -1.8075 -1.2888 -1.2888 3.8803 3.8803 5.5648 5.5648 5.7145 5.7145 5.8289 5.8289 5.8797 5.8797 6.3148 6.3148 6.4549 6.4549 7.8916 7.8916 8.1590 8.1590 8.2325 8.2325 8.3430 8.3430 8.6985 8.6985 k = 0.0263 0.0107-0.0000 ( 6317 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5510 -28.5510 -28.4487 -28.4487 -11.6386 -11.6386 -11.6219 -11.6219 -11.5151 -11.5151 -11.2384 -11.2384 -10.5268 -10.5268 -10.5041 -10.5041 -10.4931 -10.4931 -10.4691 -10.4691 -10.4584 -10.4584 -10.2189 -10.2189 -10.1265 -10.1265 -9.9496 -9.9496 -1.8067 -1.8067 -1.2897 -1.2897 3.8819 3.8819 5.5643 5.5643 5.6974 5.6974 5.8436 5.8436 5.8796 5.8796 6.3158 6.3158 6.4546 6.4546 7.8816 7.8816 8.1712 8.1712 8.2327 8.2327 8.3330 8.3330 8.7012 8.7012 k = 0.0526 0.0214-0.0000 ( 6333 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5510 -28.5510 -28.4487 -28.4487 -11.6390 -11.6390 -11.6214 -11.6214 -11.5151 -11.5151 -11.2385 -11.2385 -10.5276 -10.5276 -10.5033 -10.5033 -10.4931 -10.4931 -10.4691 -10.4691 -10.4583 -10.4583 -10.2190 -10.2190 -10.1267 -10.1267 -9.9496 -9.9496 -1.8043 -1.8043 -1.2924 -1.2924 3.8865 3.8865 5.5625 5.5625 5.6609 5.6609 5.8734 5.8734 5.8792 5.8792 6.3187 6.3187 6.4538 6.4538 7.8558 7.8558 8.2033 8.2033 8.2334 8.2334 8.3057 8.3057 8.7090 8.7090 k = 0.0789 0.0321-0.0000 ( 6321 PWs) bands (ev): -28.8267 -28.8267 -28.8205 -28.8205 -28.5510 -28.5510 -28.4487 -28.4487 -11.6397 -11.6397 -11.6206 -11.6206 -11.5151 -11.5151 -11.2385 -11.2385 -10.5287 -10.5287 -10.5020 -10.5020 -10.4932 -10.4932 -10.4690 -10.4690 -10.4582 -10.4582 -10.2190 -10.2190 -10.1270 -10.1270 -9.9496 -9.9496 -1.8004 -1.8004 -1.2969 -1.2969 3.8942 3.8942 5.5571 5.5571 5.6211 5.6211 5.8786 5.8786 5.9046 5.9046 6.3229 6.3229 6.4524 6.4524 7.8217 7.8217 8.2345 8.2345 8.2479 8.2479 8.2677 8.2677 8.7221 8.7221 k = 0.1053 0.0428-0.0000 ( 6305 PWs) bands (ev): -28.8267 -28.8267 -28.8206 -28.8206 -28.5510 -28.5510 -28.4487 -28.4487 -11.6406 -11.6406 -11.6196 -11.6196 -11.5151 -11.5151 -11.2386 -11.2386 -10.5301 -10.5301 -10.5005 -10.5005 -10.4933 -10.4933 -10.4689 -10.4689 -10.4581 -10.4581 -10.2190 -10.2190 -10.1274 -10.1274 -9.9496 -9.9496 -1.7950 -1.7950 -1.3032 -1.3032 3.9048 3.9048 5.5397 5.5397 5.5914 5.5914 5.8777 5.8777 5.9326 5.9326 6.3276 6.3276 6.4505 6.4505 7.7843 7.7843 8.2261 8.2261 8.2360 8.2360 8.2998 8.2998 8.7399 8.7399 k = 0.1316 0.0535-0.0000 ( 6309 PWs) bands (ev): -28.8266 -28.8266 -28.8206 -28.8206 -28.5510 -28.5510 -28.4487 -28.4487 -11.6415 -11.6415 -11.6186 -11.6186 -11.5151 -11.5151 -11.2387 -11.2387 -10.5316 -10.5316 -10.4987 -10.4987 -10.4934 -10.4934 -10.4687 -10.4687 -10.4580 -10.4580 -10.2190 -10.2190 -10.1279 -10.1279 -9.9496 -9.9496 -1.7881 -1.7881 -1.3111 -1.3111 3.9180 3.9180 5.5043 5.5043 5.5798 5.5798 5.8766 5.8766 5.9559 5.9559 6.3314 6.3314 6.4482 6.4482 7.7462 7.7462 8.1869 8.1869 8.2379 8.2379 8.3562 8.3562 8.7610 8.7610 k = 0.1579 0.0642-0.0000 ( 6305 PWs) bands (ev): -28.8266 -28.8266 -28.8207 -28.8207 -28.5510 -28.5510 -28.4487 -28.4487 -11.6426 -11.6426 -11.6174 -11.6174 -11.5151 -11.5151 -11.2388 -11.2388 -10.5332 -10.5332 -10.4969 -10.4969 -10.4935 -10.4935 -10.4685 -10.4685 -10.4578 -10.4578 -10.2190 -10.2190 -10.1285 -10.1285 -9.9497 -9.9497 -1.7797 -1.7797 -1.3207 -1.3207 3.9335 3.9335 5.4626 5.4626 5.5760 5.5760 5.8753 5.8753 5.9744 5.9744 6.3328 6.3328 6.4456 6.4456 7.7090 7.7090 8.1545 8.1545 8.2401 8.2401 8.4153 8.4153 8.7806 8.7806 k = 0.1842 0.0749-0.0000 ( 6305 PWs) bands (ev): -28.8265 -28.8265 -28.8207 -28.8207 -28.5510 -28.5510 -28.4487 -28.4487 -11.6436 -11.6436 -11.6162 -11.6162 -11.5151 -11.5151 -11.2389 -11.2389 -10.5348 -10.5348 -10.4951 -10.4951 -10.4936 -10.4936 -10.4683 -10.4683 -10.4576 -10.4576 -10.2191 -10.2191 -10.1291 -10.1291 -9.9497 -9.9497 -1.7700 -1.7700 -1.3317 -1.3317 3.9510 3.9510 5.4211 5.4211 5.5742 5.5742 5.8739 5.8739 5.9882 5.9882 6.3302 6.3302 6.4427 6.4427 7.6734 7.6734 8.1316 8.1316 8.2426 8.2426 8.4761 8.4761 8.7940 8.7940 k = 0.2105 0.0856-0.0000 ( 6313 PWs) bands (ev): -28.8264 -28.8264 -28.8208 -28.8208 -28.5510 -28.5510 -28.4487 -28.4487 -11.6446 -11.6446 -11.6150 -11.6150 -11.5151 -11.5151 -11.2390 -11.2390 -10.5363 -10.5363 -10.4938 -10.4938 -10.4932 -10.4932 -10.4680 -10.4680 -10.4574 -10.4574 -10.2191 -10.2191 -10.1298 -10.1298 -9.9497 -9.9497 -1.7590 -1.7590 -1.3441 -1.3441 3.9700 3.9700 5.3818 5.3818 5.5731 5.5731 5.8723 5.8723 5.9982 5.9982 6.3224 6.3224 6.4397 6.4397 7.6398 7.6398 8.1200 8.1200 8.2453 8.2453 8.5375 8.5375 8.8037 8.8037 k = 0.2368 0.0963-0.0000 ( 6313 PWs) bands (ev): -28.8264 -28.8264 -28.8209 -28.8209 -28.5510 -28.5510 -28.4487 -28.4487 -11.6456 -11.6456 -11.6138 -11.6138 -11.5152 -11.5152 -11.2392 -11.2392 -10.5378 -10.5378 -10.4939 -10.4939 -10.4915 -10.4915 -10.4677 -10.4677 -10.4572 -10.4572 -10.2191 -10.2191 -10.1305 -10.1305 -9.9497 -9.9497 -1.7468 -1.7468 -1.3578 -1.3578 3.9902 3.9902 5.3458 5.3458 5.5722 5.5722 5.8707 5.8707 6.0050 6.0050 6.3089 6.3089 6.4367 6.4367 7.6086 7.6086 8.1202 8.1202 8.2481 8.2481 8.5989 8.5989 8.8124 8.8124 k = 0.2632 0.1070-0.0000 ( 6305 PWs) bands (ev): -28.8263 -28.8263 -28.8209 -28.8209 -28.5510 -28.5510 -28.4487 -28.4487 -11.6465 -11.6465 -11.6127 -11.6127 -11.5152 -11.5152 -11.2393 -11.2393 -10.5392 -10.5392 -10.4940 -10.4940 -10.4899 -10.4899 -10.4673 -10.4673 -10.4570 -10.4570 -10.2192 -10.2192 -10.1313 -10.1313 -9.9497 -9.9497 -1.7334 -1.7334 -1.3726 -1.3726 4.0109 4.0109 5.3135 5.3135 5.5715 5.5715 5.8690 5.8690 6.0093 6.0093 6.2896 6.2896 6.4336 6.4336 7.5801 7.5801 8.1317 8.1317 8.2510 8.2510 8.6594 8.6594 8.8204 8.8204 k = 0.2895 0.1177-0.0000 ( 6301 PWs) bands (ev): -28.8262 -28.8262 -28.8210 -28.8210 -28.5510 -28.5510 -28.4487 -28.4487 -11.6474 -11.6474 -11.6116 -11.6116 -11.5152 -11.5152 -11.2395 -11.2395 -10.5405 -10.5405 -10.4941 -10.4941 -10.4885 -10.4885 -10.4670 -10.4670 -10.4568 -10.4568 -10.2192 -10.2192 -10.1320 -10.1320 -9.9498 -9.9498 -1.7192 -1.7192 -1.3883 -1.3883 4.0315 4.0315 5.2852 5.2852 5.5707 5.5707 5.8673 5.8673 6.0117 6.0117 6.2655 6.2655 6.4307 6.4307 7.5542 7.5542 8.1533 8.1533 8.2539 8.2539 8.7181 8.7181 8.8274 8.8274 k = 0.3158 0.1283-0.0000 ( 6281 PWs) bands (ev): -28.8261 -28.8261 -28.8211 -28.8211 -28.5510 -28.5510 -28.4487 -28.4487 -11.6482 -11.6482 -11.6107 -11.6107 -11.5152 -11.5152 -11.2396 -11.2396 -10.5416 -10.5416 -10.4943 -10.4943 -10.4872 -10.4872 -10.4666 -10.4666 -10.4566 -10.4566 -10.2192 -10.2192 -10.1327 -10.1327 -9.9498 -9.9498 -1.7041 -1.7041 -1.4048 -1.4048 4.0515 4.0515 5.2613 5.2613 5.5699 5.5699 5.8657 5.8657 6.0129 6.0129 6.2380 6.2380 6.4279 6.4279 7.5313 7.5313 8.1830 8.1830 8.2567 8.2567 8.7740 8.7740 8.8329 8.8329 k = 0.3421 0.1390-0.0000 ( 6281 PWs) bands (ev): -28.8261 -28.8261 -28.8212 -28.8212 -28.5510 -28.5510 -28.4487 -28.4487 -11.6489 -11.6489 -11.6098 -11.6098 -11.5152 -11.5152 -11.2397 -11.2397 -10.5427 -10.5427 -10.4944 -10.4944 -10.4861 -10.4861 -10.4661 -10.4661 -10.4565 -10.4565 -10.2193 -10.2193 -10.1334 -10.1334 -9.9498 -9.9498 -1.6884 -1.6884 -1.4217 -1.4217 4.0704 4.0704 5.2416 5.2416 5.5690 5.5690 5.8642 5.8642 6.0132 6.0132 6.2087 6.2087 6.4254 6.4254 7.5112 7.5112 8.2184 8.2184 8.2593 8.2593 8.8261 8.8261 8.8364 8.8364 k = 0.3684 0.1497-0.0000 ( 6289 PWs) bands (ev): -28.8260 -28.8260 -28.8212 -28.8212 -28.5510 -28.5510 -28.4487 -28.4487 -11.6495 -11.6495 -11.6091 -11.6091 -11.5152 -11.5152 -11.2398 -11.2398 -10.5435 -10.5435 -10.4945 -10.4945 -10.4852 -10.4852 -10.4657 -10.4657 -10.4563 -10.4563 -10.2193 -10.2193 -10.1340 -10.1340 -9.9498 -9.9498 -1.6725 -1.6725 -1.4388 -1.4388 4.0874 4.0874 5.2261 5.2261 5.5681 5.5681 5.8628 5.8628 6.0129 6.0129 6.1796 6.1796 6.4232 6.4232 7.4942 7.4942 8.2568 8.2568 8.2616 8.2616 8.8377 8.8377 8.8731 8.8731 k = 0.3947 0.1604-0.0000 ( 6301 PWs) bands (ev): -28.8259 -28.8259 -28.8213 -28.8213 -28.5510 -28.5510 -28.4487 -28.4487 -11.6500 -11.6500 -11.6084 -11.6084 -11.5152 -11.5152 -11.2399 -11.2399 -10.5443 -10.5443 -10.4946 -10.4946 -10.4844 -10.4844 -10.4654 -10.4654 -10.4562 -10.4562 -10.2193 -10.2193 -10.1345 -10.1345 -9.9498 -9.9498 -1.6567 -1.6567 -1.4556 -1.4556 4.1021 4.1021 5.2144 5.2144 5.5671 5.5671 5.8617 5.8617 6.0124 6.0124 6.1526 6.1526 6.4214 6.4214 7.4802 7.4802 8.2637 8.2637 8.2952 8.2952 8.8368 8.8368 8.9140 8.9140 k = 0.4211 0.1711-0.0000 ( 6329 PWs) bands (ev): -28.8259 -28.8259 -28.8214 -28.8214 -28.5510 -28.5510 -28.4487 -28.4487 -11.6504 -11.6504 -11.6079 -11.6079 -11.5152 -11.5152 -11.2400 -11.2400 -10.5448 -10.5448 -10.4947 -10.4947 -10.4838 -10.4838 -10.4651 -10.4651 -10.4561 -10.4561 -10.2193 -10.2193 -10.1349 -10.1349 -9.9498 -9.9498 -1.6417 -1.6417 -1.4714 -1.4714 4.1140 4.1140 5.2061 5.2061 5.5662 5.5662 5.8607 5.8607 6.0118 6.0118 6.1295 6.1295 6.4199 6.4199 7.4692 7.4692 8.2653 8.2653 8.3303 8.3303 8.8340 8.8340 8.9474 8.9474 k = 0.4474 0.1818-0.0000 ( 6330 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5510 -28.5510 -28.4487 -28.4487 -11.6506 -11.6506 -11.6076 -11.6076 -11.5152 -11.5152 -11.2400 -11.2400 -10.5453 -10.5453 -10.4947 -10.4947 -10.4834 -10.4834 -10.4648 -10.4648 -10.4560 -10.4560 -10.2193 -10.2193 -10.1352 -10.1352 -9.9498 -9.9498 -1.6286 -1.6286 -1.4850 -1.4850 4.1228 4.1228 5.2006 5.2006 5.5655 5.5655 5.8600 5.8600 6.0113 6.0113 6.1117 6.1117 6.4188 6.4188 7.4614 7.4614 8.2666 8.2666 8.3589 8.3589 8.8304 8.8304 8.9722 8.9722 k = 0.4737 0.1925-0.0000 ( 6330 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5510 -28.5510 -28.4487 -28.4487 -11.6508 -11.6508 -11.6074 -11.6074 -11.5152 -11.5152 -11.2401 -11.2401 -10.5455 -10.5455 -10.4947 -10.4947 -10.4832 -10.4832 -10.4647 -10.4647 -10.4559 -10.4559 -10.2193 -10.2193 -10.1354 -10.1354 -9.9498 -9.9498 -1.6192 -1.6192 -1.4948 -1.4948 4.1281 4.1281 5.1976 5.1976 5.5650 5.5650 5.8596 5.8596 6.0110 6.0110 6.1006 6.1006 6.4182 6.4182 7.4567 7.4567 8.2673 8.2673 8.3777 8.3777 8.8274 8.8274 8.9876 8.9876 k = 0.5000 0.2032-0.0000 ( 6326 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5510 -28.5510 -28.4487 -28.4487 -11.6509 -11.6509 -11.6073 -11.6073 -11.5152 -11.5152 -11.2401 -11.2401 -10.5456 -10.5456 -10.4948 -10.4948 -10.4831 -10.4831 -10.4646 -10.4646 -10.4559 -10.4559 -10.2194 -10.2194 -10.1354 -10.1354 -9.9498 -9.9498 -1.6157 -1.6157 -1.4984 -1.4984 4.1299 4.1299 5.1966 5.1966 5.5648 5.5648 5.8594 5.8594 6.0109 6.0109 6.0968 6.0968 6.4180 6.4180 7.4551 7.4551 8.2676 8.2676 8.3843 8.3843 8.8262 8.8262 8.9927 8.9927 k = 0.5000 0.2032-0.0000 ( 6326 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5510 -28.5510 -28.4487 -28.4487 -11.6509 -11.6509 -11.6073 -11.6073 -11.5152 -11.5152 -11.2401 -11.2401 -10.5456 -10.5456 -10.4948 -10.4948 -10.4831 -10.4831 -10.4646 -10.4646 -10.4559 -10.4559 -10.2194 -10.2194 -10.1354 -10.1354 -9.9498 -9.9498 -1.6157 -1.6157 -1.4984 -1.4984 4.1299 4.1299 5.1966 5.1966 5.5648 5.5648 5.8594 5.8594 6.0109 6.0109 6.0968 6.0968 6.4180 6.4180 7.4551 7.4551 8.2676 8.2676 8.3843 8.3843 8.8262 8.8262 8.9927 8.9927 k = 0.4921 0.2227 0.0210 ( 6326 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5509 -28.5509 -28.4488 -28.4488 -11.6509 -11.6509 -11.6073 -11.6073 -11.5150 -11.5150 -11.2402 -11.2402 -10.5455 -10.5455 -10.4948 -10.4948 -10.4831 -10.4831 -10.4644 -10.4644 -10.4560 -10.4560 -10.2193 -10.2193 -10.1355 -10.1355 -9.9502 -9.9502 -1.6150 -1.6150 -1.4979 -1.4979 4.1310 4.1310 5.1902 5.1902 5.5676 5.5676 5.8597 5.8597 5.9985 5.9985 6.1038 6.1038 6.4142 6.4142 7.4641 7.4641 8.2694 8.2694 8.3855 8.3855 8.8284 8.8284 8.9945 8.9945 k = 0.4842 0.2421 0.0420 ( 6310 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5507 -28.5507 -28.4489 -28.4489 -11.6508 -11.6508 -11.6075 -11.6075 -11.5145 -11.5145 -11.2406 -11.2406 -10.5452 -10.5452 -10.4950 -10.4950 -10.4830 -10.4830 -10.4639 -10.4639 -10.4563 -10.4563 -10.2193 -10.2193 -10.1359 -10.1359 -9.9514 -9.9514 -1.6128 -1.6128 -1.4964 -1.4964 4.1341 4.1341 5.1720 5.1720 5.5752 5.5752 5.8601 5.8601 5.9681 5.9681 6.1185 6.1185 6.4038 6.4038 7.4901 7.4901 8.2749 8.2749 8.3890 8.3890 8.8351 8.8351 8.9997 8.9997 k = 0.4763 0.2616 0.0630 ( 6310 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5504 -28.5504 -28.4493 -28.4493 -11.6507 -11.6507 -11.6077 -11.6077 -11.5136 -11.5136 -11.2414 -11.2414 -10.5447 -10.5447 -10.4952 -10.4952 -10.4827 -10.4827 -10.4630 -10.4630 -10.4567 -10.4567 -10.2193 -10.2193 -10.1364 -10.1364 -9.9534 -9.9534 -1.6091 -1.6091 -1.4939 -1.4939 4.1393 4.1393 5.1438 5.1438 5.5857 5.5857 5.8572 5.8572 5.9294 5.9294 6.1346 6.1346 6.3892 6.3892 7.5304 7.5304 8.2839 8.2839 8.3945 8.3945 8.8462 8.8462 9.0081 9.0081 k = 0.4684 0.2811 0.0840 ( 6306 PWs) bands (ev): -28.8257 -28.8257 -28.8214 -28.8214 -28.5500 -28.5500 -28.4497 -28.4497 -11.6506 -11.6506 -11.6080 -11.6080 -11.5124 -11.5124 -11.2424 -11.2424 -10.5441 -10.5441 -10.4956 -10.4956 -10.4824 -10.4824 -10.4618 -10.4618 -10.4572 -10.4572 -10.2192 -10.2192 -10.1371 -10.1371 -9.9561 -9.9561 -1.6041 -1.6041 -1.4905 -1.4905 4.1463 4.1463 5.1082 5.1082 5.5972 5.5972 5.8361 5.8361 5.8997 5.8997 6.1500 6.1500 6.3735 6.3735 7.5819 7.5819 8.2964 8.2964 8.4013 8.4013 8.8616 8.8616 9.0192 9.0192 k = 0.4605 0.3005 0.1050 ( 6294 PWs) bands (ev): -28.8257 -28.8257 -28.8214 -28.8214 -28.5494 -28.5494 -28.4503 -28.4503 -11.6504 -11.6504 -11.6084 -11.6084 -11.5107 -11.5107 -11.2436 -11.2436 -10.5433 -10.5433 -10.4961 -10.4961 -10.4820 -10.4820 -10.4602 -10.4602 -10.4580 -10.4580 -10.2192 -10.2192 -10.1380 -10.1380 -9.9595 -9.9595 -1.5976 -1.5976 -1.4861 -1.4861 4.1551 4.1551 5.0670 5.0670 5.6081 5.6081 5.7837 5.7837 5.8934 5.8934 6.1637 6.1637 6.3595 6.3595 7.6411 7.6411 8.3123 8.3123 8.4087 8.4087 8.8812 8.8812 9.0322 9.0322 k = 0.4525 0.3200 0.1260 ( 6314 PWs) bands (ev): -28.8257 -28.8257 -28.8214 -28.8214 -28.5487 -28.5487 -28.4509 -28.4509 -11.6502 -11.6502 -11.6089 -11.6089 -11.5088 -11.5088 -11.2452 -11.2452 -10.5424 -10.5424 -10.4966 -10.4966 -10.4814 -10.4814 -10.4589 -10.4589 -10.4582 -10.4582 -10.2191 -10.2191 -10.1391 -10.1391 -9.9638 -9.9638 -1.5899 -1.5899 -1.4808 -1.4808 4.1654 4.1654 5.0220 5.0220 5.6175 5.6175 5.7160 5.7160 5.8957 5.8957 6.1744 6.1744 6.3499 6.3499 7.7053 7.7053 8.3313 8.3313 8.4159 8.4159 8.9049 8.9049 9.0459 9.0459 k = 0.4446 0.3394 0.1470 ( 6306 PWs) bands (ev): -28.8256 -28.8256 -28.8215 -28.8215 -28.5479 -28.5479 -28.4517 -28.4517 -11.6499 -11.6499 -11.6094 -11.6094 -11.5065 -11.5065 -11.2470 -11.2470 -10.5413 -10.5413 -10.4973 -10.4973 -10.4808 -10.4808 -10.4599 -10.4599 -10.4558 -10.4558 -10.2190 -10.2190 -10.1404 -10.1404 -9.9687 -9.9687 -1.5809 -1.5809 -1.4746 -1.4746 4.1768 4.1768 4.9744 4.9744 5.6249 5.6249 5.6413 5.6413 5.8998 5.8998 6.1805 6.1805 6.3471 6.3471 7.7720 7.7720 8.3534 8.3534 8.4221 8.4221 8.9326 8.9326 9.0584 9.0584 k = 0.4367 0.3589 0.1680 ( 6302 PWs) bands (ev): -28.8255 -28.8255 -28.8215 -28.8215 -28.5470 -28.5470 -28.4527 -28.4527 -11.6496 -11.6496 -11.6101 -11.6101 -11.5039 -11.5039 -11.2492 -11.2492 -10.5401 -10.5401 -10.4980 -10.4980 -10.4800 -10.4800 -10.4611 -10.4611 -10.4531 -10.4531 -10.2189 -10.2189 -10.1418 -10.1418 -9.9743 -9.9743 -1.5707 -1.5707 -1.4676 -1.4676 4.1891 4.1891 4.9251 4.9251 5.5627 5.5627 5.6303 5.6303 5.9035 5.9035 6.1809 6.1809 6.3529 6.3529 7.8395 7.8395 8.3782 8.3782 8.4267 8.4267 8.9640 8.9640 9.0671 9.0671 k = 0.4288 0.3783 0.1890 ( 6292 PWs) bands (ev): -28.8255 -28.8255 -28.8215 -28.8215 -28.5460 -28.5460 -28.4537 -28.4537 -11.6493 -11.6493 -11.6108 -11.6108 -11.5009 -11.5009 -11.2516 -11.2516 -10.5389 -10.5389 -10.4988 -10.4988 -10.4793 -10.4793 -10.4623 -10.4623 -10.4498 -10.4498 -10.2188 -10.2188 -10.1435 -10.1435 -9.9807 -9.9807 -1.5594 -1.5594 -1.4598 -1.4598 4.2016 4.2016 4.8749 4.8749 5.4827 5.4827 5.6337 5.6337 5.9058 5.9058 6.1757 6.1757 6.3670 6.3670 7.9060 7.9060 8.4054 8.4054 8.4299 8.4299 8.9992 8.9992 9.0692 9.0692 k = 0.4209 0.3978 0.2100 ( 6306 PWs) bands (ev): -28.8254 -28.8254 -28.8215 -28.8215 -28.5448 -28.5448 -28.4549 -28.4549 -11.6489 -11.6489 -11.6115 -11.6115 -11.4976 -11.4976 -11.2543 -11.2543 -10.5376 -10.5376 -10.4996 -10.4996 -10.4785 -10.4785 -10.4637 -10.4637 -10.4461 -10.4461 -10.2186 -10.2186 -10.1452 -10.1452 -9.9876 -9.9876 -1.5472 -1.5472 -1.4512 -1.4512 4.2139 4.2139 4.8243 4.8243 5.4033 5.4033 5.6354 5.6354 5.9061 5.9061 6.1664 6.1664 6.3882 6.3882 7.9699 7.9699 8.4283 8.4283 8.4389 8.4389 9.0380 9.0380 9.0624 9.0624 k = 0.4130 0.4173 0.2311 ( 6304 PWs) bands (ev): -28.8253 -28.8253 -28.8215 -28.8215 -28.5436 -28.5436 -28.4561 -28.4561 -11.6486 -11.6486 -11.6124 -11.6124 -11.4940 -11.4940 -11.2573 -11.2573 -10.5363 -10.5363 -10.5005 -10.5005 -10.4777 -10.4777 -10.4652 -10.4652 -10.4419 -10.4419 -10.2184 -10.2184 -10.1471 -10.1471 -9.9952 -9.9952 -1.5341 -1.5341 -1.4421 -1.4421 4.2251 4.2251 4.7740 4.7740 5.3263 5.3263 5.6356 5.6356 5.9040 5.9040 6.1545 6.1545 6.4147 6.4147 8.0291 8.0291 8.4331 8.4331 8.4691 8.4691 9.0459 9.0459 9.0804 9.0804 k = 0.4051 0.4367 0.2521 ( 6296 PWs) bands (ev): -28.8252 -28.8252 -28.8215 -28.8215 -28.5422 -28.5422 -28.4575 -28.4575 -11.6481 -11.6481 -11.6133 -11.6133 -11.4900 -11.4900 -11.2605 -11.2605 -10.5350 -10.5350 -10.5013 -10.5013 -10.4770 -10.4770 -10.4668 -10.4668 -10.4371 -10.4371 -10.2182 -10.2182 -10.1491 -10.1491 -10.0034 -10.0034 -1.5203 -1.5203 -1.4323 -1.4323 4.2344 4.2344 4.7242 4.7242 5.2532 5.2532 5.6345 5.6345 5.8992 5.8992 6.1412 6.1412 6.4453 6.4453 8.0806 8.0806 8.4403 8.4403 8.5030 8.5030 9.0208 9.0208 9.1263 9.1263 k = 0.3972 0.4562 0.2731 ( 6300 PWs) bands (ev): -28.8251 -28.8251 -28.8216 -28.8216 -28.5407 -28.5407 -28.4590 -28.4590 -11.6477 -11.6477 -11.6142 -11.6142 -11.4858 -11.4858 -11.2641 -11.2641 -10.5337 -10.5337 -10.5021 -10.5021 -10.4763 -10.4763 -10.4684 -10.4684 -10.4318 -10.4318 -10.2180 -10.2180 -10.1512 -10.1512 -10.0122 -10.0122 -1.5059 -1.5059 -1.4220 -1.4220 4.2406 4.2406 4.6754 4.6754 5.1857 5.1857 5.6324 5.6324 5.8918 5.8918 6.1271 6.1271 6.4791 6.4791 8.1208 8.1208 8.4561 8.4561 8.5387 8.5387 8.9893 8.9893 9.1755 9.1755 k = 0.3893 0.4756 0.2941 ( 6306 PWs) bands (ev): -28.8250 -28.8250 -28.8216 -28.8216 -28.5391 -28.5391 -28.4606 -28.4606 -11.6472 -11.6472 -11.6152 -11.6152 -11.4813 -11.4813 -11.2679 -11.2679 -10.5324 -10.5324 -10.5029 -10.5029 -10.4757 -10.4757 -10.4701 -10.4701 -10.4260 -10.4260 -10.2178 -10.2178 -10.1535 -10.1535 -10.0215 -10.0215 -1.4910 -1.4910 -1.4112 -1.4112 4.2426 4.2426 4.6280 4.6280 5.1254 5.1254 5.6296 5.6296 5.8820 5.8820 6.1126 6.1126 6.5151 6.5151 8.1468 8.1468 8.4845 8.4845 8.5759 8.5759 8.9536 8.9536 9.2280 9.2280 k = 0.3814 0.4951 0.3151 ( 6300 PWs) bands (ev): -28.8249 -28.8249 -28.8216 -28.8216 -28.5374 -28.5374 -28.4622 -28.4622 -11.6467 -11.6467 -11.6162 -11.6162 -11.4765 -11.4765 -11.2719 -11.2719 -10.5312 -10.5312 -10.5037 -10.5037 -10.4751 -10.4751 -10.4717 -10.4717 -10.4196 -10.4196 -10.2175 -10.2175 -10.1558 -10.1558 -10.0313 -10.0313 -1.4759 -1.4759 -1.4001 -1.4001 4.2392 4.2392 4.5824 4.5824 5.0736 5.0736 5.6261 5.6261 5.8700 5.8700 6.0980 6.0980 6.5528 6.5528 8.1589 8.1589 8.5264 8.5264 8.6142 8.6142 8.9154 8.9154 9.2586 9.2586 k = 0.3735 0.5146 0.3361 ( 6282 PWs) bands (ev): -28.8248 -28.8248 -28.8217 -28.8217 -28.5357 -28.5357 -28.4640 -28.4640 -11.6462 -11.6462 -11.6172 -11.6172 -11.4715 -11.4715 -11.2763 -11.2763 -10.5300 -10.5300 -10.5044 -10.5044 -10.4747 -10.4747 -10.4734 -10.4734 -10.4127 -10.4127 -10.2172 -10.2172 -10.1581 -10.1581 -10.0415 -10.0415 -1.4606 -1.4606 -1.3887 -1.3887 4.2294 4.2294 4.5390 4.5390 5.0313 5.0313 5.6221 5.6221 5.8564 5.8564 6.0832 6.0832 6.5917 6.5917 8.1603 8.1603 8.5795 8.5795 8.6534 8.6534 8.8761 8.8761 9.2339 9.2339 k = 0.3656 0.5340 0.3571 ( 6282 PWs) bands (ev): -28.8246 -28.8246 -28.8217 -28.8217 -28.5338 -28.5338 -28.4659 -28.4659 -11.6457 -11.6457 -11.6183 -11.6183 -11.4661 -11.4661 -11.2809 -11.2809 -10.5289 -10.5289 -10.5050 -10.5050 -10.4751 -10.4751 -10.4742 -10.4742 -10.4053 -10.4053 -10.2169 -10.2169 -10.1606 -10.1606 -10.0521 -10.0521 -1.4454 -1.4454 -1.3771 -1.3771 4.2126 4.2126 4.4984 4.4984 4.9989 4.9989 5.6179 5.6179 5.8414 5.8414 6.0685 6.0685 6.6310 6.6310 8.1557 8.1557 8.6403 8.6403 8.6928 8.6928 8.8369 8.8369 9.2110 9.2110 k = 0.3576 0.5535 0.3781 ( 6274 PWs) bands (ev): -28.8245 -28.8245 -28.8218 -28.8218 -28.5319 -28.5319 -28.4678 -28.4678 -11.6451 -11.6451 -11.6194 -11.6194 -11.4606 -11.4606 -11.2857 -11.2857 -10.5279 -10.5279 -10.5056 -10.5056 -10.4767 -10.4767 -10.4739 -10.4739 -10.3974 -10.3974 -10.2165 -10.2165 -10.1630 -10.1630 -10.0631 -10.0631 -1.4305 -1.4305 -1.3654 -1.3654 4.1890 4.1890 4.4609 4.4609 4.9761 4.9761 5.6134 5.6134 5.8256 5.8256 6.0538 6.0538 6.6702 6.6702 8.1485 8.1485 8.7057 8.7057 8.7315 8.7315 8.7992 8.7992 9.1895 9.1895 k = 0.3497 0.5729 0.3991 ( 6274 PWs) bands (ev): -28.8244 -28.8244 -28.8218 -28.8218 -28.5299 -28.5299 -28.4698 -28.4698 -11.6445 -11.6445 -11.6205 -11.6205 -11.4548 -11.4548 -11.2908 -11.2908 -10.5269 -10.5269 -10.5061 -10.5061 -10.4783 -10.4783 -10.4736 -10.4736 -10.3890 -10.3890 -10.2161 -10.2161 -10.1655 -10.1655 -10.0744 -10.0744 -1.4159 -1.4159 -1.3537 -1.3537 4.1595 4.1595 4.4268 4.4268 4.9619 4.9619 5.6088 5.6088 5.8092 5.8092 6.0393 6.0393 6.7086 6.7086 8.1416 8.1416 8.7480 8.7480 8.7751 8.7751 8.7832 8.7832 9.1692 9.1692 k = 0.3418 0.5924 0.4201 ( 6268 PWs) bands (ev): -28.8242 -28.8242 -28.8219 -28.8219 -28.5278 -28.5278 -28.4719 -28.4719 -11.6439 -11.6439 -11.6217 -11.6217 -11.4488 -11.4488 -11.2962 -11.2962 -10.5261 -10.5261 -10.5066 -10.5066 -10.4798 -10.4798 -10.4734 -10.4734 -10.3801 -10.3801 -10.2157 -10.2157 -10.1681 -10.1681 -10.0859 -10.0859 -1.4020 -1.4020 -1.3420 -1.3420 4.1257 4.1257 4.3962 4.3962 4.9548 4.9548 5.6042 5.6042 5.7927 5.7927 6.0250 6.0250 6.7458 6.7458 8.1368 8.1368 8.7171 8.7171 8.8154 8.8154 8.8450 8.8450 9.1499 9.1499 k = 0.3339 0.6119 0.4411 ( 6272 PWs) bands (ev): -28.8241 -28.8241 -28.8220 -28.8220 -28.5256 -28.5256 -28.4741 -28.4741 -11.6433 -11.6433 -11.6228 -11.6228 -11.4427 -11.4427 -11.3017 -11.3017 -10.5253 -10.5253 -10.5070 -10.5070 -10.4811 -10.4811 -10.4732 -10.4732 -10.3708 -10.3708 -10.2153 -10.2153 -10.1706 -10.1706 -10.0976 -10.0976 -1.3889 -1.3889 -1.3305 -1.3305 4.0894 4.0894 4.3689 4.3689 4.9529 4.9529 5.5997 5.5997 5.7763 5.7763 6.0111 6.0111 6.7811 6.7811 8.1354 8.1354 8.6816 8.6816 8.8529 8.8529 8.9140 8.9140 9.1311 9.1311 k = 0.3260 0.6313 0.4621 ( 6268 PWs) bands (ev): -28.8240 -28.8240 -28.8220 -28.8220 -28.5234 -28.5234 -28.4763 -28.4763 -11.6426 -11.6426 -11.6239 -11.6239 -11.4363 -11.4363 -11.3075 -11.3075 -10.5247 -10.5247 -10.5074 -10.5074 -10.4824 -10.4824 -10.4731 -10.4731 -10.3611 -10.3611 -10.2149 -10.2149 -10.1732 -10.1732 -10.1093 -10.1093 -1.3767 -1.3767 -1.3192 -1.3192 4.0522 4.0522 4.3450 4.3450 4.9546 4.9546 5.5953 5.5953 5.7604 5.7604 5.9977 5.9977 6.8141 6.8141 8.1383 8.1383 8.6468 8.6468 8.8894 8.8894 8.9811 8.9811 9.1127 9.1127 k = 0.3181 0.6508 0.4831 ( 6270 PWs) bands (ev): -28.8238 -28.8238 -28.8221 -28.8221 -28.5211 -28.5211 -28.4786 -28.4786 -11.6420 -11.6420 -11.6250 -11.6250 -11.4298 -11.4298 -11.3134 -11.3134 -10.5242 -10.5242 -10.5077 -10.5077 -10.4834 -10.4834 -10.4730 -10.4730 -10.3510 -10.3510 -10.2145 -10.2145 -10.1759 -10.1759 -10.1211 -10.1211 -1.3658 -1.3658 -1.3082 -1.3082 4.0158 4.0158 4.3244 4.3244 4.9584 4.9584 5.5911 5.5911 5.7451 5.7451 5.9850 5.9850 6.8443 6.8443 8.1461 8.1461 8.6132 8.6132 8.9242 8.9242 9.0440 9.0440 9.0945 9.0945 k = 0.3102 0.6702 0.5041 ( 6278 PWs) bands (ev): -28.8237 -28.8237 -28.8222 -28.8222 -28.5188 -28.5188 -28.4809 -28.4809 -11.6413 -11.6413 -11.6261 -11.6261 -11.4231 -11.4231 -11.3196 -11.3196 -10.5237 -10.5237 -10.5080 -10.5080 -10.4843 -10.4843 -10.4730 -10.4730 -10.3406 -10.3406 -10.2142 -10.2142 -10.1786 -10.1786 -10.1326 -10.1326 -1.3561 -1.3561 -1.2977 -1.2977 3.9814 3.9814 4.3073 4.3073 4.9627 4.9627 5.5871 5.5871 5.7306 5.7306 5.9731 5.9731 6.8716 6.8716 8.1589 8.1589 8.5809 8.5809 8.9565 8.9565 9.0729 9.0729 9.1041 9.1041 k = 0.3023 0.6897 0.5251 ( 6280 PWs) bands (ev): -28.8235 -28.8235 -28.8223 -28.8223 -28.5164 -28.5164 -28.4833 -28.4833 -11.6407 -11.6407 -11.6272 -11.6272 -11.4164 -11.4164 -11.3259 -11.3259 -10.5234 -10.5234 -10.5084 -10.5084 -10.4850 -10.4850 -10.4730 -10.4730 -10.3299 -10.3299 -10.2141 -10.2141 -10.1815 -10.1815 -10.1437 -10.1437 -1.3480 -1.3480 -1.2875 -1.2875 3.9499 3.9499 4.2937 4.2937 4.9664 4.9664 5.5833 5.5833 5.7172 5.7172 5.9623 5.9623 6.8958 6.8958 8.1765 8.1765 8.5500 8.5500 8.9859 8.9859 9.0541 9.0541 9.1527 9.1527 k = 0.2944 0.7091 0.5461 ( 6276 PWs) bands (ev): -28.8234 -28.8234 -28.8224 -28.8224 -28.5139 -28.5139 -28.4858 -28.4858 -11.6400 -11.6400 -11.6282 -11.6282 -11.4095 -11.4095 -11.3323 -11.3323 -10.5232 -10.5232 -10.5087 -10.5087 -10.4855 -10.4855 -10.4730 -10.4730 -10.3190 -10.3190 -10.2144 -10.2144 -10.1847 -10.1847 -10.1539 -10.1539 -1.3415 -1.3415 -1.2780 -1.2780 3.9222 3.9222 4.2836 4.2836 4.9687 4.9687 5.5798 5.5798 5.7049 5.7049 5.9525 5.9525 6.9168 6.9168 8.1982 8.1982 8.5205 8.5205 9.0118 9.0118 9.0335 9.0335 9.1917 9.1917 k = 0.2865 0.7286 0.5671 ( 6260 PWs) bands (ev): -28.8233 -28.8233 -28.8225 -28.8225 -28.5115 -28.5115 -28.4882 -28.4882 -11.6393 -11.6393 -11.6292 -11.6292 -11.4026 -11.4026 -11.3389 -11.3389 -10.5231 -10.5231 -10.5090 -10.5090 -10.4859 -10.4859 -10.4729 -10.4729 -10.3080 -10.3080 -10.2155 -10.2155 -10.1884 -10.1884 -10.1626 -10.1626 -1.3367 -1.3367 -1.2690 -1.2690 3.8990 3.8990 4.2771 4.2771 4.9687 4.9687 5.5766 5.5766 5.6939 5.6939 5.9441 5.9441 6.9346 6.9346 8.2233 8.2233 8.4923 8.4923 9.0118 9.0118 9.0339 9.0339 9.2188 9.2188 k = 0.2786 0.7481 0.5881 ( 6264 PWs) bands (ev): -28.8231 -28.8231 -28.8226 -28.8226 -28.5090 -28.5090 -28.4907 -28.4907 -11.6386 -11.6386 -11.6302 -11.6302 -11.3956 -11.3956 -11.3456 -11.3456 -10.5230 -10.5230 -10.5093 -10.5093 -10.4861 -10.4861 -10.4729 -10.4729 -10.2970 -10.2970 -10.2179 -10.2179 -10.1922 -10.1922 -10.1692 -10.1692 -1.3339 -1.3339 -1.2607 -1.2607 3.8805 3.8805 4.2744 4.2744 4.9659 4.9659 5.5739 5.5739 5.6842 5.6842 5.9370 5.9370 6.9493 6.9493 8.2507 8.2507 8.4656 8.4656 8.9889 8.9889 9.0518 9.0518 9.2332 9.2332 k = 0.2706 0.7675 0.6091 ( 6258 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5065 -28.5065 -28.4932 -28.4932 -11.6379 -11.6379 -11.6311 -11.6311 -11.3886 -11.3886 -11.3523 -11.3523 -10.5230 -10.5230 -10.5097 -10.5097 -10.4861 -10.4861 -10.4728 -10.4728 -10.2863 -10.2863 -10.2223 -10.2223 -10.1955 -10.1955 -10.1737 -10.1737 -1.3330 -1.3330 -1.2531 -1.2531 3.8673 3.8673 4.2754 4.2754 4.9599 4.9599 5.5716 5.5716 5.6758 5.6758 5.9314 5.9314 6.9608 6.9608 8.2788 8.2788 8.4403 8.4403 8.9651 8.9651 9.0650 9.0650 9.2359 9.2359 k = 0.2706 0.7675 0.6091 ( 6258 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5065 -28.5065 -28.4932 -28.4932 -11.6379 -11.6379 -11.6311 -11.6311 -11.3886 -11.3886 -11.3523 -11.3523 -10.5230 -10.5230 -10.5097 -10.5097 -10.4861 -10.4861 -10.4728 -10.4728 -10.2863 -10.2863 -10.2223 -10.2223 -10.1955 -10.1955 -10.1737 -10.1737 -1.3330 -1.3330 -1.2531 -1.2531 3.8673 3.8673 4.2754 4.2754 4.9599 4.9599 5.5716 5.5716 5.6758 5.6758 5.9314 5.9314 6.9608 6.9608 8.2788 8.2788 8.4403 8.4403 8.9651 8.9651 9.0650 9.0650 9.2359 9.2359 k = 0.2436 0.7624 0.6146 ( 6252 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5058 -28.5058 -28.4939 -28.4939 -11.6377 -11.6377 -11.6314 -11.6314 -11.3868 -11.3868 -11.3540 -11.3540 -10.5229 -10.5229 -10.5099 -10.5099 -10.4860 -10.4860 -10.4728 -10.4728 -10.2836 -10.2836 -10.2237 -10.2237 -10.1962 -10.1962 -10.1745 -10.1745 -1.3333 -1.3333 -1.2510 -1.2510 3.8657 3.8657 4.2744 4.2744 4.9599 4.9599 5.5711 5.5711 5.6728 5.6728 5.9296 5.9296 6.9633 6.9633 8.2872 8.2872 8.4335 8.4335 8.9580 8.9580 9.0676 9.0676 9.2383 9.2383 k = 0.2165 0.7574 0.6201 ( 6262 PWs) bands (ev): -28.8229 -28.8229 -28.8227 -28.8227 -28.5052 -28.5052 -28.4945 -28.4945 -11.6375 -11.6375 -11.6316 -11.6316 -11.3850 -11.3850 -11.3558 -11.3558 -10.5228 -10.5228 -10.5104 -10.5104 -10.4856 -10.4856 -10.4730 -10.4730 -10.2810 -10.2810 -10.2253 -10.2253 -10.1968 -10.1968 -10.1753 -10.1753 -1.3340 -1.3340 -1.2488 -1.2488 3.8661 3.8661 4.2702 4.2702 4.9639 4.9639 5.5704 5.5704 5.6679 5.6679 5.9269 5.9269 6.9656 6.9656 8.2972 8.2972 8.4262 8.4262 8.9499 8.9499 9.0695 9.0695 9.2467 9.2467 k = 0.1895 0.7523 0.6256 ( 6257 PWs) bands (ev): -28.8229 -28.8229 -28.8227 -28.8227 -28.5045 -28.5045 -28.4952 -28.4952 -11.6373 -11.6373 -11.6319 -11.6319 -11.3833 -11.3833 -11.3575 -11.3575 -10.5225 -10.5225 -10.5110 -10.5110 -10.4850 -10.4850 -10.4732 -10.4732 -10.2785 -10.2785 -10.2269 -10.2269 -10.1973 -10.1973 -10.1759 -10.1759 -1.3350 -1.3350 -1.2464 -1.2464 3.8684 3.8684 4.2631 4.2631 4.9716 4.9716 5.5694 5.5694 5.6614 5.6614 5.9235 5.9235 6.9677 6.9677 8.3080 8.3080 8.4192 8.4192 8.9415 8.9415 9.0707 9.0707 9.2610 9.2610 k = 0.1624 0.7472 0.6311 ( 6257 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5038 -28.5038 -28.4959 -28.4959 -11.6370 -11.6370 -11.6322 -11.6322 -11.3815 -11.3815 -11.3592 -11.3592 -10.5222 -10.5222 -10.5119 -10.5119 -10.4842 -10.4842 -10.4736 -10.4736 -10.2761 -10.2761 -10.2286 -10.2286 -10.1978 -10.1978 -10.1764 -10.1764 -1.3361 -1.3361 -1.2442 -1.2442 3.8722 3.8722 4.2536 4.2536 4.9821 4.9821 5.5682 5.5682 5.6538 5.6538 5.9197 5.9197 6.9695 6.9695 8.3185 8.3185 8.4133 8.4133 8.9334 8.9334 9.0714 9.0714 9.2813 9.2813 k = 0.1353 0.7421 0.6366 ( 6259 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5032 -28.5032 -28.4965 -28.4965 -11.6368 -11.6368 -11.6325 -11.6325 -11.3798 -11.3798 -11.3608 -11.3608 -10.5217 -10.5217 -10.5128 -10.5128 -10.4832 -10.4832 -10.4741 -10.4741 -10.2738 -10.2738 -10.2302 -10.2302 -10.1981 -10.1981 -10.1769 -10.1769 -1.3372 -1.3372 -1.2421 -1.2421 3.8771 3.8771 4.2427 4.2427 4.9945 4.9945 5.5665 5.5665 5.6456 5.6456 5.9158 5.9158 6.9711 6.9711 8.3277 8.3277 8.4092 8.4092 8.9259 8.9259 9.0716 9.0716 9.3073 9.3073 k = 0.1083 0.7370 0.6420 ( 6263 PWs) bands (ev): -28.8230 -28.8230 -28.8227 -28.8227 -28.5025 -28.5025 -28.4972 -28.4972 -11.6366 -11.6366 -11.6327 -11.6327 -11.3782 -11.3782 -11.3624 -11.3624 -10.5211 -10.5211 -10.5138 -10.5138 -10.4822 -10.4822 -10.4747 -10.4747 -10.2718 -10.2718 -10.2317 -10.2317 -10.1984 -10.1984 -10.1772 -10.1772 -1.3382 -1.3382 -1.2403 -1.2403 3.8825 3.8825 4.2316 4.2316 5.0075 5.0075 5.5645 5.5645 5.6376 5.6376 5.9122 5.9122 6.9725 6.9725 8.3345 8.3345 8.4073 8.4073 8.9194 8.9194 9.0715 9.0715 9.3387 9.3387 k = 0.0812 0.7320 0.6475 ( 6263 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5019 -28.5019 -28.4978 -28.4978 -11.6364 -11.6364 -11.6330 -11.6330 -11.3767 -11.3767 -11.3639 -11.3639 -10.5204 -10.5204 -10.5149 -10.5149 -10.4812 -10.4812 -10.4754 -10.4754 -10.2701 -10.2701 -10.2331 -10.2331 -10.1986 -10.1986 -10.1775 -10.1775 -1.3390 -1.3390 -1.2389 -1.2389 3.8878 3.8878 4.2212 4.2212 5.0197 5.0197 5.5620 5.5620 5.6306 5.6306 5.9091 5.9091 6.9736 6.9736 8.3387 8.3387 8.4076 8.4076 8.9140 8.9140 9.0713 9.0713 9.3745 9.3745 k = 0.0541 0.7269 0.6530 ( 6268 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5012 -28.5012 -28.4985 -28.4985 -11.6362 -11.6362 -11.6332 -11.6332 -11.3753 -11.3753 -11.3653 -11.3653 -10.5197 -10.5197 -10.5159 -10.5159 -10.4801 -10.4801 -10.4762 -10.4762 -10.2688 -10.2688 -10.2341 -10.2341 -10.1987 -10.1987 -10.1777 -10.1777 -1.3397 -1.3397 -1.2378 -1.2378 3.8923 3.8923 4.2128 4.2128 5.0297 5.0297 5.5597 5.5597 5.6253 5.6253 5.9068 5.9068 6.9744 6.9744 8.3407 8.3407 8.4092 8.4092 8.9101 8.9101 9.0710 9.0710 9.4121 9.4121 k = 0.0271 0.7218 0.6585 ( 6268 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5006 -28.5006 -28.4991 -28.4991 -11.6361 -11.6361 -11.6333 -11.6333 -11.3742 -11.3742 -11.3663 -11.3663 -10.5188 -10.5188 -10.5169 -10.5169 -10.4791 -10.4791 -10.4770 -10.4770 -10.2680 -10.2680 -10.2348 -10.2348 -10.1988 -10.1988 -10.1778 -10.1778 -1.3401 -1.3401 -1.2372 -1.2372 3.8953 3.8953 4.2073 4.2073 5.0362 5.0362 5.5578 5.5578 5.6220 5.6220 5.9054 5.9054 6.9748 6.9748 8.3414 8.3414 8.4108 8.4108 8.9077 8.9077 9.0708 9.0708 9.4452 9.4452 k = 0.0000 0.7167 0.6640 ( 6264 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4996 -28.4996 -11.6360 -11.6360 -11.6333 -11.6333 -11.3738 -11.3738 -11.3667 -11.3667 -10.5180 -10.5180 -10.5179 -10.5179 -10.4785 -10.4785 -10.4776 -10.4776 -10.2677 -10.2677 -10.2351 -10.2351 -10.1989 -10.1989 -10.1778 -10.1778 -1.3402 -1.3402 -1.2370 -1.2370 3.8964 3.8964 4.2054 4.2054 5.0385 5.0385 5.5572 5.5572 5.6209 5.6209 5.9049 5.9049 6.9750 6.9750 8.3415 8.3415 8.4114 8.4114 8.9069 8.9069 9.0707 9.0707 9.4599 9.4599 k = 0.0000 0.7167 0.6640 ( 6264 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4996 -28.4996 -11.6360 -11.6360 -11.6333 -11.6333 -11.3738 -11.3738 -11.3667 -11.3667 -10.5180 -10.5180 -10.5179 -10.5179 -10.4785 -10.4785 -10.4776 -10.4776 -10.2677 -10.2677 -10.2351 -10.2351 -10.1989 -10.1989 -10.1778 -10.1778 -1.3402 -1.3402 -1.2370 -1.2370 3.8964 3.8964 4.2054 4.2054 5.0385 5.0385 5.5572 5.5572 5.6209 5.6209 5.9049 5.9049 6.9750 6.9750 8.3415 8.3415 8.4114 8.4114 8.9069 8.9069 9.0707 9.0707 9.4599 9.4599 k = 0.0078 0.6975 0.6847 ( 6268 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4996 -28.4996 -11.6360 -11.6360 -11.6334 -11.6334 -11.3741 -11.3741 -11.3668 -11.3668 -10.5191 -10.5191 -10.5167 -10.5167 -10.4787 -10.4787 -10.4775 -10.4775 -10.2694 -10.2694 -10.2344 -10.2344 -10.1999 -10.1999 -10.1753 -10.1753 -1.3399 -1.3399 -1.2371 -1.2371 3.8976 3.8976 4.2068 4.2068 5.0387 5.0387 5.5546 5.5546 5.6218 5.6218 5.9022 5.9022 6.9764 6.9764 8.3408 8.3408 8.4101 8.4101 8.9080 8.9080 9.0568 9.0568 9.4715 9.4715 k = 0.0156 0.6783 0.7055 ( 6260 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4996 -28.4996 -11.6360 -11.6360 -11.6334 -11.6334 -11.3748 -11.3748 -11.3672 -11.3672 -10.5203 -10.5203 -10.5156 -10.5156 -10.4791 -10.4791 -10.4772 -10.4772 -10.2739 -10.2739 -10.2337 -10.2337 -10.2009 -10.2009 -10.1693 -10.1693 -1.3390 -1.3390 -1.2377 -1.2377 3.9012 3.9012 4.2112 4.2112 5.0392 5.0392 5.5473 5.5473 5.6238 5.6238 5.8944 5.8944 6.9808 6.9808 8.3366 8.3366 8.4078 8.4078 8.9115 8.9115 9.0198 9.0198 9.5013 9.5013 k = 0.0234 0.6591 0.7262 ( 6264 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4996 -28.4996 -11.6360 -11.6360 -11.6335 -11.6335 -11.3759 -11.3759 -11.3678 -11.3678 -10.5215 -10.5215 -10.5144 -10.5144 -10.4797 -10.4797 -10.4770 -10.4770 -10.2798 -10.2798 -10.2353 -10.2353 -10.1990 -10.1990 -10.1617 -10.1617 -1.3375 -1.3375 -1.2387 -1.2387 3.9072 3.9072 4.2184 4.2184 5.0399 5.0399 5.5365 5.5365 5.6259 5.6259 5.8819 5.8819 6.9880 6.9880 8.3246 8.3246 8.4087 8.4087 8.9171 8.9171 8.9694 8.9694 9.5390 9.5390 k = 0.0312 0.6398 0.7470 ( 6262 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4995 -28.4995 -11.6360 -11.6360 -11.6337 -11.6337 -11.3775 -11.3775 -11.3686 -11.3686 -10.5226 -10.5226 -10.5133 -10.5133 -10.4804 -10.4804 -10.4769 -10.4769 -10.2864 -10.2864 -10.2395 -10.2395 -10.1938 -10.1938 -10.1535 -10.1535 -1.3354 -1.3354 -1.2400 -1.2400 3.9156 3.9156 4.2285 4.2285 5.0408 5.0408 5.5229 5.5229 5.6272 5.6272 5.8654 5.8654 6.9980 6.9980 8.3021 8.3021 8.4148 8.4148 8.9013 8.9013 8.9367 8.9367 9.5750 9.5750 k = 0.0391 0.6206 0.7677 ( 6262 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4995 -28.4995 -11.6359 -11.6359 -11.6339 -11.6339 -11.3794 -11.3794 -11.3698 -11.3698 -10.5238 -10.5238 -10.5123 -10.5123 -10.4811 -10.4811 -10.4768 -10.4768 -10.2930 -10.2930 -10.2453 -10.2453 -10.1866 -10.1866 -10.1448 -10.1448 -1.3327 -1.3327 -1.2417 -1.2417 3.9262 3.9262 4.2414 4.2414 5.0415 5.0415 5.5071 5.5071 5.6272 5.6272 5.8457 5.8457 7.0108 7.0108 8.2702 8.2702 8.4242 8.4242 8.8404 8.8404 8.9502 8.9502 9.5924 9.5924 k = 0.0469 0.6014 0.7885 ( 6260 PWs) bands (ev): -28.8230 -28.8230 -28.8226 -28.8226 -28.5001 -28.5001 -28.4995 -28.4995 -11.6359 -11.6359 -11.6341 -11.6341 -11.3817 -11.3817 -11.3712 -11.3712 -10.5249 -10.5249 -10.5114 -10.5114 -10.4819 -10.4819 -10.4768 -10.4768 -10.2996 -10.2996 -10.2518 -10.2518 -10.1783 -10.1783 -10.1359 -10.1359 -1.3295 -1.3295 -1.2438 -1.2438 3.9392 3.9392 4.2571 4.2571 5.0418 5.0418 5.4897 5.4897 5.6254 5.6254 5.8241 5.8241 7.0263 7.0263 8.2307 8.2307 8.4344 8.4344 8.7747 8.7747 8.9726 8.9726 9.5552 9.5552 k = 0.0547 0.5822 0.8092 ( 6256 PWs) bands (ev): -28.8229 -28.8229 -28.8226 -28.8226 -28.5000 -28.5000 -28.4995 -28.4995 -11.6358 -11.6358 -11.6343 -11.6343 -11.3843 -11.3843 -11.3728 -11.3728 -10.5259 -10.5259 -10.5105 -10.5105 -10.4826 -10.4826 -10.4768 -10.4768 -10.3060 -10.3060 -10.2586 -10.2586 -10.1694 -10.1694 -10.1269 -10.1269 -1.3258 -1.3258 -1.2461 -1.2461 3.9543 3.9543 4.2754 4.2754 5.0412 5.0412 5.4710 5.4710 5.6215 5.6215 5.8015 5.8015 7.0445 7.0445 8.1855 8.1855 8.4429 8.4429 8.7082 8.7082 9.0013 9.0013 9.5050 9.5050 k = 0.0625 0.5629 0.8300 ( 6258 PWs) bands (ev): -28.8229 -28.8229 -28.8225 -28.8225 -28.5000 -28.5000 -28.4995 -28.4995 -11.6357 -11.6357 -11.6346 -11.6346 -11.3872 -11.3872 -11.3748 -11.3748 -10.5270 -10.5270 -10.5098 -10.5098 -10.4834 -10.4834 -10.4769 -10.4769 -10.3121 -10.3121 -10.2655 -10.2655 -10.1601 -10.1601 -10.1178 -10.1178 -1.3216 -1.3216 -1.2488 -1.2488 3.9715 3.9715 4.2964 4.2964 5.0394 5.0394 5.4512 5.4512 5.6157 5.6157 5.7790 5.7790 7.0651 7.0651 8.1357 8.1357 8.4480 8.4480 8.6418 8.6418 9.0349 9.0349 9.4540 9.4540 k = 0.0703 0.5437 0.8507 ( 6258 PWs) bands (ev): -28.8229 -28.8229 -28.8225 -28.8225 -28.5000 -28.5000 -28.4995 -28.4995 -11.6357 -11.6357 -11.6349 -11.6349 -11.3903 -11.3903 -11.3769 -11.3769 -10.5280 -10.5280 -10.5092 -10.5092 -10.4841 -10.4841 -10.4771 -10.4771 -10.3178 -10.3178 -10.2723 -10.2723 -10.1506 -10.1506 -10.1087 -10.1087 -1.3170 -1.3170 -1.2517 -1.2517 3.9906 3.9906 4.3200 4.3200 5.0358 5.0358 5.4310 5.4310 5.6079 5.6079 5.7574 5.7574 7.0881 7.0881 8.0826 8.0826 8.4483 8.4483 8.5764 8.5764 9.0709 9.0709 9.4082 9.4082 k = 0.0781 0.5245 0.8715 ( 6256 PWs) bands (ev): -28.8228 -28.8228 -28.8225 -28.8225 -28.5000 -28.5000 -28.4995 -28.4995 -11.6356 -11.6356 -11.6353 -11.6353 -11.3937 -11.3937 -11.3793 -11.3793 -10.5290 -10.5290 -10.5088 -10.5088 -10.4848 -10.4848 -10.4772 -10.4772 -10.3233 -10.3233 -10.2790 -10.2790 -10.1412 -10.1412 -10.0996 -10.0996 -1.3119 -1.3119 -1.2549 -1.2549 4.0117 4.0117 4.3460 4.3460 5.0297 5.0297 5.4108 5.4108 5.5986 5.5986 5.7372 5.7372 7.1133 7.1133 8.0268 8.0268 8.4427 8.4427 8.5125 8.5125 9.1038 9.1038 9.3746 9.3746 k = 0.0859 0.5053 0.8922 ( 6262 PWs) bands (ev): -28.8228 -28.8228 -28.8225 -28.8225 -28.4999 -28.4999 -28.4995 -28.4995 -11.6358 -11.6358 -11.6354 -11.6354 -11.3972 -11.3972 -11.3819 -11.3819 -10.5300 -10.5300 -10.5085 -10.5085 -10.4854 -10.4854 -10.4774 -10.4774 -10.3283 -10.3283 -10.2855 -10.2855 -10.1317 -10.1317 -10.0907 -10.0907 -1.3065 -1.3065 -1.2583 -1.2583 4.0344 4.0344 4.3742 4.3742 5.0205 5.0205 5.3913 5.3913 5.5884 5.5884 5.7187 5.7187 7.1405 7.1405 7.9693 7.9693 8.4296 8.4296 8.4513 8.4513 9.1241 9.1241 9.3634 9.3634 k = 0.0938 0.4861 0.9130 ( 6260 PWs) bands (ev): -28.8227 -28.8227 -28.8225 -28.8225 -28.4999 -28.4999 -28.4995 -28.4995 -11.6361 -11.6361 -11.6353 -11.6353 -11.4009 -11.4009 -11.3846 -11.3846 -10.5309 -10.5309 -10.5084 -10.5084 -10.4858 -10.4858 -10.4777 -10.4777 -10.3330 -10.3330 -10.2919 -10.2919 -10.1224 -10.1224 -10.0818 -10.0818 -1.3008 -1.3008 -1.2619 -1.2619 4.0587 4.0587 4.4047 4.4047 5.0078 5.0078 5.3732 5.3732 5.5779 5.5779 5.7016 5.7016 7.1696 7.1696 7.9105 7.9105 8.3871 8.3871 8.4149 8.4149 9.1249 9.1249 9.3814 9.3814 k = 0.1016 0.4668 0.9337 ( 6264 PWs) bands (ev): -28.8227 -28.8227 -28.8224 -28.8224 -28.4998 -28.4998 -28.4995 -28.4995 -11.6365 -11.6365 -11.6352 -11.6352 -11.4047 -11.4047 -11.3874 -11.3874 -10.5319 -10.5319 -10.5084 -10.5084 -10.4861 -10.4861 -10.4779 -10.4779 -10.3373 -10.3373 -10.2980 -10.2980 -10.1132 -10.1132 -10.0732 -10.0732 -1.2949 -1.2949 -1.2656 -1.2656 4.0844 4.0844 4.4371 4.4371 4.9913 4.9913 5.3570 5.3570 5.5678 5.5678 5.6856 5.6856 7.2003 7.2003 7.8511 7.8511 8.3294 8.3294 8.3892 8.3892 9.1110 9.1110 9.4012 9.4012 k = 0.1094 0.4476 0.9545 ( 6270 PWs) bands (ev): -28.8227 -28.8227 -28.8224 -28.8224 -28.4998 -28.4998 -28.4995 -28.4995 -11.6370 -11.6370 -11.6351 -11.6351 -11.4086 -11.4086 -11.3904 -11.3904 -10.5329 -10.5329 -10.5086 -10.5086 -10.4864 -10.4864 -10.4781 -10.4781 -10.3413 -10.3413 -10.3040 -10.3040 -10.1042 -10.1042 -10.0647 -10.0647 -1.2888 -1.2888 -1.2693 -1.2693 4.1113 4.1113 4.4713 4.4713 4.9711 4.9711 5.3430 5.3430 5.5587 5.5587 5.6705 5.6705 7.2322 7.2322 7.7915 7.7915 8.2734 8.2734 8.3580 8.3580 9.0917 9.0917 9.3603 9.3603 k = 0.1172 0.4284 0.9752 ( 6268 PWs) bands (ev): -28.8226 -28.8226 -28.8224 -28.8224 -28.4998 -28.4998 -28.4994 -28.4994 -11.6374 -11.6374 -11.6350 -11.6350 -11.4125 -11.4125 -11.3935 -11.3935 -10.5340 -10.5340 -10.5088 -10.5088 -10.4865 -10.4865 -10.4784 -10.4784 -10.3449 -10.3449 -10.3096 -10.3096 -10.0954 -10.0954 -10.0565 -10.0565 -1.2827 -1.2827 -1.2730 -1.2730 4.1392 4.1392 4.5069 4.5069 4.9478 4.9478 5.3313 5.3313 5.5507 5.5507 5.6560 5.6560 7.2653 7.2653 7.7322 7.7322 8.2196 8.2196 8.3213 8.3213 9.0726 9.0726 9.3177 9.3177 k = 0.1250 0.4092 0.9960 ( 6276 PWs) bands (ev): -28.8226 -28.8226 -28.8223 -28.8223 -28.4997 -28.4997 -28.4994 -28.4994 -11.6379 -11.6379 -11.6348 -11.6348 -11.4164 -11.4164 -11.3966 -11.3966 -10.5350 -10.5350 -10.5090 -10.5090 -10.4865 -10.4865 -10.4786 -10.4786 -10.3481 -10.3481 -10.3151 -10.3151 -10.0870 -10.0870 -10.0485 -10.0485 -1.2789 -1.2789 -1.2743 -1.2743 4.1678 4.1678 4.5436 4.5436 4.9222 4.9222 5.3216 5.3216 5.5439 5.5439 5.6420 5.6420 7.2990 7.2990 7.6735 7.6735 8.1684 8.1684 8.2802 8.2802 9.0560 9.0560 9.2766 9.2766 k = 0.1328 0.3899 1.0167 ( 6272 PWs) bands (ev): -28.8225 -28.8225 -28.8223 -28.8223 -28.4997 -28.4997 -28.4994 -28.4994 -11.6383 -11.6383 -11.6347 -11.6347 -11.4203 -11.4203 -11.3997 -11.3997 -10.5362 -10.5362 -10.5093 -10.5093 -10.4865 -10.4865 -10.4788 -10.4788 -10.3511 -10.3511 -10.3203 -10.3203 -10.0788 -10.0788 -10.0408 -10.0408 -1.2818 -1.2818 -1.2690 -1.2690 4.1968 4.1968 4.5808 4.5808 4.8957 4.8957 5.3137 5.3137 5.5381 5.5381 5.6285 5.6285 7.3332 7.3332 7.6158 7.6158 8.1197 8.1197 8.2356 8.2356 9.0423 9.0423 9.2376 9.2376 k = 0.1406 0.3707 1.0375 ( 6262 PWs) bands (ev): -28.8225 -28.8225 -28.8223 -28.8223 -28.4996 -28.4996 -28.4994 -28.4994 -11.6388 -11.6388 -11.6345 -11.6345 -11.4241 -11.4241 -11.4028 -11.4028 -10.5373 -10.5373 -10.5095 -10.5095 -10.4864 -10.4864 -10.4789 -10.4789 -10.3537 -10.3537 -10.3252 -10.3252 -10.0711 -10.0711 -10.0335 -10.0335 -1.2856 -1.2856 -1.2627 -1.2627 4.2260 4.2260 4.6174 4.6174 4.8700 4.8700 5.3073 5.3073 5.5327 5.5327 5.6159 5.6159 7.3673 7.3673 7.5596 7.5596 8.0737 8.0737 8.1888 8.1888 9.0315 9.0315 9.2012 9.2012 k = 0.1484 0.3515 1.0582 ( 6268 PWs) bands (ev): -28.8224 -28.8224 -28.8223 -28.8223 -28.4996 -28.4996 -28.4994 -28.4994 -11.6393 -11.6393 -11.6344 -11.6344 -11.4278 -11.4278 -11.4058 -11.4058 -10.5385 -10.5385 -10.5097 -10.5097 -10.4864 -10.4864 -10.4791 -10.4791 -10.3561 -10.3561 -10.3298 -10.3298 -10.0637 -10.0637 -10.0266 -10.0266 -1.2894 -1.2894 -1.2565 -1.2565 4.2550 4.2550 4.6514 4.6514 4.8475 4.8475 5.3022 5.3022 5.5272 5.5272 5.6043 5.6043 7.4008 7.4008 7.5056 7.5056 8.0306 8.0306 8.1408 8.1408 9.0231 9.0231 9.1675 9.1675 k = 0.1562 0.3323 1.0790 ( 6272 PWs) bands (ev): -28.8224 -28.8224 -28.8222 -28.8222 -28.4996 -28.4996 -28.4994 -28.4994 -11.6397 -11.6397 -11.6342 -11.6342 -11.4314 -11.4314 -11.4087 -11.4087 -10.5397 -10.5397 -10.5098 -10.5098 -10.4863 -10.4863 -10.4792 -10.4792 -10.3582 -10.3582 -10.3342 -10.3342 -10.0568 -10.0568 -10.0200 -10.0200 -1.2931 -1.2931 -1.2504 -1.2504 4.2835 4.2835 4.6788 4.6788 4.8329 4.8329 5.2982 5.2982 5.5208 5.5208 5.5940 5.5940 7.4294 7.4294 7.4578 7.4578 7.9902 7.9902 8.0926 8.0926 9.0167 9.0167 9.1369 9.1369 k = 0.1641 0.3131 1.0997 ( 6272 PWs) bands (ev): -28.8223 -28.8223 -28.8222 -28.8222 -28.4995 -28.4995 -28.4994 -28.4994 -11.6401 -11.6401 -11.6341 -11.6341 -11.4348 -11.4348 -11.4116 -11.4116 -10.5409 -10.5409 -10.5098 -10.5098 -10.4862 -10.4862 -10.4792 -10.4792 -10.3601 -10.3601 -10.3382 -10.3382 -10.0503 -10.0503 -10.0138 -10.0138 -1.2967 -1.2967 -1.2445 -1.2445 4.3109 4.3109 4.6930 4.6930 4.8330 4.8330 5.2954 5.2954 5.5129 5.5129 5.5853 5.5853 7.3998 7.3998 7.4697 7.4697 7.9527 7.9527 8.0450 8.0450 9.0118 9.0118 9.1095 9.1095 k = 0.1719 0.2938 1.1205 ( 6274 PWs) bands (ev): -28.8223 -28.8223 -28.8222 -28.8222 -28.4995 -28.4995 -28.4994 -28.4994 -11.6405 -11.6405 -11.6339 -11.6339 -11.4381 -11.4381 -11.4143 -11.4143 -10.5420 -10.5420 -10.5098 -10.5098 -10.4862 -10.4862 -10.4792 -10.4792 -10.3617 -10.3617 -10.3420 -10.3420 -10.0443 -10.0443 -10.0081 -10.0081 -1.3001 -1.3001 -1.2388 -1.2388 4.3368 4.3368 4.6916 4.6916 4.8506 4.8506 5.2940 5.2940 5.5034 5.5034 5.5777 5.5777 7.3538 7.3538 7.4995 7.4995 7.9182 7.9182 7.9989 7.9989 9.0080 9.0080 9.0855 9.0855 k = 0.1797 0.2746 1.1412 ( 6272 PWs) bands (ev): -28.8223 -28.8223 -28.8222 -28.8222 -28.4995 -28.4995 -28.4994 -28.4994 -11.6409 -11.6409 -11.6338 -11.6338 -11.4411 -11.4411 -11.4168 -11.4168 -10.5432 -10.5432 -10.5097 -10.5097 -10.4862 -10.4862 -10.4792 -10.4792 -10.3632 -10.3632 -10.3455 -10.3455 -10.0388 -10.0388 -10.0029 -10.0029 -1.3032 -1.3032 -1.2336 -1.2336 4.3606 4.3606 4.6808 4.6808 4.8793 4.8793 5.2940 5.2940 5.4927 5.4927 5.5706 5.5706 7.3103 7.3103 7.5283 7.5283 7.8866 7.8866 7.9548 7.9548 9.0051 9.0051 9.0649 9.0649 k = 0.1875 0.2554 1.1620 ( 6266 PWs) bands (ev): -28.8222 -28.8222 -28.8222 -28.8222 -28.4994 -28.4994 -28.4993 -28.4993 -11.6413 -11.6413 -11.6337 -11.6337 -11.4439 -11.4439 -11.4191 -11.4191 -10.5442 -10.5442 -10.5095 -10.5095 -10.4862 -10.4862 -10.4792 -10.4792 -10.3644 -10.3644 -10.3486 -10.3486 -10.0338 -10.0338 -9.9981 -9.9981 -1.3062 -1.3062 -1.2287 -1.2287 4.3818 4.3818 4.6675 4.6675 4.9125 4.9125 5.2959 5.2959 5.4813 5.4813 5.5632 5.5632 7.2704 7.2704 7.5551 7.5551 7.8580 7.8580 7.9135 7.9135 9.0028 9.0028 9.0476 9.0476 k = 0.1953 0.2362 1.1827 ( 6256 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.4994 -28.4994 -28.4993 -28.4993 -11.6416 -11.6416 -11.6335 -11.6335 -11.4464 -11.4464 -11.4212 -11.4212 -10.5452 -10.5452 -10.5093 -10.5093 -10.4863 -10.4863 -10.4791 -10.4791 -10.3654 -10.3654 -10.3515 -10.3515 -10.0294 -10.0294 -9.9939 -9.9939 -1.3088 -1.3088 -1.2242 -1.2242 4.3997 4.3997 4.6551 4.6551 4.9461 4.9461 5.3000 5.3000 5.4698 5.4698 5.5547 5.5547 7.2345 7.2345 7.5797 7.5797 7.8323 7.8323 7.8755 7.8755 9.0009 9.0009 9.0336 9.0336 k = 0.2031 0.2169 1.2035 ( 6260 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.4994 -28.4994 -28.4993 -28.4993 -11.6419 -11.6419 -11.6334 -11.6334 -11.4486 -11.4486 -11.4231 -11.4231 -10.5461 -10.5461 -10.5091 -10.5091 -10.4863 -10.4863 -10.4791 -10.4791 -10.3663 -10.3663 -10.3540 -10.3540 -10.0255 -10.0255 -9.9902 -9.9902 -1.3112 -1.3112 -1.2202 -1.2202 4.4138 4.4138 4.6455 4.6455 4.9780 4.9780 5.3065 5.3065 5.4588 5.4588 5.5445 5.5445 7.2028 7.2028 7.6017 7.6017 7.8096 7.8096 7.8413 7.8413 8.9992 8.9992 9.0227 9.0227 k = 0.2109 0.1977 1.2242 ( 6256 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.4994 -28.4994 -28.4993 -28.4993 -11.6422 -11.6422 -11.6333 -11.6333 -11.4505 -11.4505 -11.4247 -11.4247 -10.5469 -10.5469 -10.5089 -10.5089 -10.4864 -10.4864 -10.4790 -10.4790 -10.3670 -10.3670 -10.3561 -10.3561 -10.0222 -10.0222 -9.9870 -9.9870 -1.3133 -1.3133 -1.2168 -1.2168 4.4242 4.4242 4.6390 4.6390 5.0066 5.0066 5.3158 5.3158 5.4488 5.4488 5.5323 5.5323 7.1757 7.1757 7.6210 7.6210 7.7898 7.7898 7.8115 7.8115 8.9975 8.9975 9.0148 9.0148 k = 0.2188 0.1785 1.2450 ( 6258 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6424 -11.6424 -11.6332 -11.6332 -11.4521 -11.4521 -11.4260 -11.4260 -10.5476 -10.5476 -10.5087 -10.5087 -10.4864 -10.4864 -10.4790 -10.4790 -10.3675 -10.3675 -10.3579 -10.3579 -10.0195 -10.0195 -9.9844 -9.9844 -1.3150 -1.3150 -1.2140 -1.2140 4.4309 4.4309 4.6357 4.6357 5.0308 5.0308 5.3278 5.3278 5.4404 5.4404 5.5180 5.5180 7.1533 7.1533 7.6375 7.6375 7.7729 7.7729 7.7865 7.7865 8.9957 8.9957 9.0094 9.0094 k = 0.2266 0.1593 1.2657 ( 6260 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6425 -11.6425 -11.6332 -11.6332 -11.4533 -11.4533 -11.4271 -11.4271 -10.5481 -10.5481 -10.5085 -10.5085 -10.4865 -10.4865 -10.4789 -10.4789 -10.3679 -10.3679 -10.3593 -10.3593 -10.0174 -10.0174 -9.9824 -9.9824 -1.3163 -1.3163 -1.2117 -1.2117 4.4348 4.4348 4.6346 4.6346 5.0498 5.0498 5.3418 5.3418 5.4344 5.4344 5.5020 5.5020 7.1359 7.1359 7.6511 7.6511 7.7589 7.7589 7.7667 7.7667 8.9940 8.9940 9.0062 9.0062 k = 0.2344 0.1401 1.2865 ( 6266 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6427 -11.6427 -11.6331 -11.6331 -11.4542 -11.4542 -11.4279 -11.4279 -10.5485 -10.5485 -10.5084 -10.5084 -10.4865 -10.4865 -10.4789 -10.4789 -10.3682 -10.3682 -10.3604 -10.3604 -10.0158 -10.0158 -9.9809 -9.9809 -1.3173 -1.3173 -1.2101 -1.2101 4.4367 4.4367 4.6348 4.6348 5.0633 5.0633 5.3559 5.3559 5.4316 5.4316 5.4851 5.4851 7.1234 7.1234 7.6616 7.6616 7.7480 7.7480 7.7525 7.7525 8.9925 8.9925 9.0044 9.0044 k = 0.2422 0.1208 1.3072 ( 6266 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6427 -11.6427 -11.6331 -11.6331 -11.4548 -11.4548 -11.4283 -11.4283 -10.5487 -10.5487 -10.5083 -10.5083 -10.4865 -10.4865 -10.4789 -10.4789 -10.3683 -10.3683 -10.3610 -10.3610 -10.0149 -10.0149 -9.9800 -9.9800 -1.3178 -1.3178 -1.2091 -1.2091 4.4375 4.4375 4.6354 4.6354 5.0713 5.0713 5.3669 5.3669 5.4330 5.4330 5.4696 5.4696 7.1158 7.1158 7.6684 7.6684 7.7410 7.7410 7.7438 7.7438 8.9916 8.9916 9.0035 9.0035 k = 0.2500 0.1016 1.3280 ( 6284 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5082 -10.5082 -10.4866 -10.4866 -10.4789 -10.4789 -10.3684 -10.3684 -10.3612 -10.3612 -10.0146 -10.0146 -9.9797 -9.9797 -1.3180 -1.3180 -1.2088 -1.2088 4.4377 4.4377 4.6356 4.6356 5.0740 5.0740 5.3710 5.3710 5.4356 5.4356 5.4617 5.4617 7.1133 7.1133 7.6708 7.6708 7.7386 7.7386 7.7408 7.7408 8.9913 8.9913 9.0033 9.0033 k = 0.2500 0.1016 1.3280 ( 6284 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5082 -10.5082 -10.4866 -10.4866 -10.4789 -10.4789 -10.3684 -10.3684 -10.3612 -10.3612 -10.0146 -10.0146 -9.9797 -9.9797 -1.3180 -1.3180 -1.2088 -1.2088 4.4377 4.4377 4.6356 4.6356 5.0740 5.0740 5.3710 5.3710 5.4356 5.4356 5.4617 5.4617 7.1133 7.1133 7.6708 7.6708 7.7386 7.7386 7.7408 7.7408 8.9913 8.9913 9.0033 9.0033 k = 0.2750 0.1118 1.3170 ( 6259 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4549 -11.4549 -11.4285 -11.4285 -10.5488 -10.5488 -10.5083 -10.5083 -10.4866 -10.4866 -10.4788 -10.4788 -10.3683 -10.3683 -10.3612 -10.3612 -10.0146 -10.0146 -9.9798 -9.9798 -1.3180 -1.3180 -1.2088 -1.2088 4.4375 4.4375 4.6361 4.6361 5.0727 5.0727 5.3703 5.3703 5.4329 5.4329 5.4663 5.4663 7.1140 7.1140 7.6701 7.6701 7.6843 7.6843 7.7993 7.7993 8.9544 8.9544 9.0362 9.0362 k = 0.3000 0.1219 1.3060 ( 6260 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6427 -11.6427 -11.6331 -11.6331 -11.4549 -11.4549 -11.4284 -11.4284 -10.5487 -10.5487 -10.5083 -10.5083 -10.4868 -10.4868 -10.4786 -10.4786 -10.3684 -10.3684 -10.3611 -10.3611 -10.0148 -10.0148 -9.9799 -9.9799 -1.3180 -1.3180 -1.2089 -1.2089 4.4370 4.4370 4.6371 4.6371 5.0685 5.0685 5.3681 5.3681 5.4289 5.4289 5.4763 5.4763 7.1160 7.1160 7.6328 7.6328 7.6694 7.6694 7.8618 7.8618 8.9074 8.9074 9.0712 9.0712 k = 0.3250 0.1321 1.2950 ( 6258 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4994 -28.4994 -28.4992 -28.4992 -11.6427 -11.6427 -11.6331 -11.6331 -11.4547 -11.4547 -11.4283 -11.4283 -10.5486 -10.5486 -10.5083 -10.5083 -10.4871 -10.4871 -10.4784 -10.4784 -10.3684 -10.3684 -10.3608 -10.3608 -10.0150 -10.0150 -9.9801 -9.9801 -1.3179 -1.3179 -1.2091 -1.2091 4.4362 4.4362 4.6385 4.6385 5.0618 5.0618 5.3646 5.3646 5.4272 5.4272 5.4881 5.4881 7.1193 7.1193 7.5869 7.5869 7.6676 7.6676 7.9266 7.9266 8.8560 8.8560 9.1028 9.1029 k = 0.3500 0.1423 1.2841 ( 6253 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4994 -28.4994 -28.4992 -28.4992 -11.6427 -11.6427 -11.6331 -11.6331 -11.4546 -11.4546 -11.4281 -11.4281 -10.5485 -10.5485 -10.5083 -10.5083 -10.4874 -10.4874 -10.4781 -10.4781 -10.3685 -10.3685 -10.3605 -10.3605 -10.0153 -10.0153 -9.9804 -9.9804 -1.3178 -1.3178 -1.2093 -1.2093 4.4352 4.4352 4.6398 4.6398 5.0527 5.0527 5.3604 5.3604 5.4284 5.4284 5.5003 5.5003 7.1238 7.1238 7.5464 7.5464 7.6655 7.6655 7.9931 7.9931 8.8006 8.8006 9.1310 9.1310 k = 0.3750 0.1524 1.2731 ( 6254 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4995 -28.4995 -28.4991 -28.4991 -11.6426 -11.6426 -11.6332 -11.6332 -11.4543 -11.4543 -11.4280 -11.4280 -10.5484 -10.5484 -10.5084 -10.5084 -10.4876 -10.4876 -10.4779 -10.4779 -10.3686 -10.3686 -10.3601 -10.3601 -10.0157 -10.0157 -9.9807 -9.9807 -1.3177 -1.3177 -1.2095 -1.2095 4.4342 4.4342 4.6407 4.6407 5.0420 5.0420 5.3562 5.3562 5.4322 5.4322 5.5121 5.5121 7.1294 7.1294 7.5118 7.5118 7.6632 7.6632 8.0609 8.0609 8.7416 8.7416 9.1557 9.1557 k = 0.4000 0.1626 1.2621 ( 6248 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4996 -28.4996 -28.4990 -28.4990 -11.6426 -11.6426 -11.6332 -11.6332 -11.4541 -11.4541 -11.4277 -11.4277 -10.5482 -10.5482 -10.5085 -10.5085 -10.4878 -10.4878 -10.4778 -10.4778 -10.3687 -10.3687 -10.3596 -10.3596 -10.0162 -10.0162 -9.9811 -9.9811 -1.3176 -1.3176 -1.2098 -1.2098 4.4332 4.4332 4.6407 4.6407 5.0303 5.0303 5.3526 5.3526 5.4379 5.4379 5.5231 5.5231 7.1359 7.1359 7.4838 7.4838 7.6608 7.6608 8.1294 8.1294 8.6793 8.6793 9.1771 9.1771 k = 0.4250 0.1727 1.2512 ( 6254 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4997 -28.4997 -28.4989 -28.4989 -11.6425 -11.6425 -11.6333 -11.6333 -11.4538 -11.4538 -11.4274 -11.4274 -10.5479 -10.5479 -10.5086 -10.5086 -10.4879 -10.4879 -10.4777 -10.4777 -10.3688 -10.3688 -10.3590 -10.3590 -10.0168 -10.0168 -9.9816 -9.9816 -1.3175 -1.3175 -1.2101 -1.2101 4.4323 4.4323 4.6396 4.6396 5.0183 5.0183 5.3498 5.3498 5.4450 5.4450 5.5327 5.5327 7.1432 7.1432 7.4626 7.4626 7.6585 7.6585 8.1981 8.1981 8.6142 8.6142 9.1951 9.1951 k = 0.4500 0.1829 1.2402 ( 6248 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4999 -28.4999 -28.4988 -28.4988 -11.6424 -11.6424 -11.6333 -11.6333 -11.4534 -11.4534 -11.4271 -11.4271 -10.5477 -10.5477 -10.5088 -10.5088 -10.4879 -10.4879 -10.4778 -10.4778 -10.3688 -10.3688 -10.3584 -10.3584 -10.0175 -10.0175 -9.9822 -9.9822 -1.3174 -1.3174 -1.2104 -1.2104 4.4315 4.4315 4.6375 4.6375 5.0066 5.0066 5.3478 5.3478 5.4530 5.4530 5.5407 5.5407 7.1508 7.1508 7.4487 7.4487 7.6566 7.6566 8.2665 8.2665 8.5471 8.5471 9.2098 9.2098 k = 0.4750 0.1931 1.2292 ( 6242 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.5000 -28.5000 -28.4986 -28.4986 -11.6423 -11.6423 -11.6334 -11.6334 -11.4530 -11.4530 -11.4267 -11.4267 -10.5474 -10.5474 -10.5090 -10.5090 -10.4878 -10.4878 -10.4779 -10.4779 -10.3688 -10.3688 -10.3577 -10.3577 -10.0183 -10.0183 -9.9828 -9.9828 -1.3173 -1.3173 -1.2109 -1.2109 4.4307 4.4307 4.6344 4.6344 4.9956 4.9956 5.3466 5.3466 5.4614 5.4614 5.5470 5.5470 7.1588 7.1588 7.4422 7.4422 7.6552 7.6552 8.3336 8.3336 8.4790 8.4790 9.2212 9.2212 k = 0.5000 0.2032 1.2183 ( 6250 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.5002 -28.5002 -28.4985 -28.4985 -11.6422 -11.6422 -11.6334 -11.6334 -11.4526 -11.4526 -11.4262 -11.4262 -10.5470 -10.5470 -10.5092 -10.5092 -10.4875 -10.4875 -10.4782 -10.4782 -10.3688 -10.3688 -10.3570 -10.3570 -10.0192 -10.0192 -9.9834 -9.9834 -1.3171 -1.3171 -1.2114 -1.2114 4.4299 4.4299 4.6306 4.6306 4.9855 4.9855 5.3458 5.3458 5.4699 5.4699 5.5515 5.5515 7.1667 7.1667 7.4433 7.4433 7.6547 7.6547 8.3872 8.3872 8.4226 8.4226 9.2293 9.2293 k = 0.5000 0.2032 1.2183 ( 6250 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.5002 -28.5002 -28.4985 -28.4985 -11.6422 -11.6422 -11.6334 -11.6334 -11.4526 -11.4526 -11.4262 -11.4262 -10.5470 -10.5470 -10.5092 -10.5092 -10.4875 -10.4875 -10.4782 -10.4782 -10.3688 -10.3688 -10.3570 -10.3570 -10.0192 -10.0192 -9.9834 -9.9834 -1.3171 -1.3171 -1.2114 -1.2114 4.4299 4.4299 4.6306 4.6306 4.9855 4.9855 5.3458 5.3458 5.4699 5.4699 5.5515 5.5515 7.1667 7.1667 7.4433 7.4433 7.6547 7.6547 8.3872 8.3872 8.4226 8.4226 9.2293 9.2293 k = 0.5000 0.2032 1.1886 ( 6250 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.5007 -28.5007 -28.4980 -28.4980 -11.6418 -11.6418 -11.6337 -11.6337 -11.4515 -11.4515 -11.4246 -11.4246 -10.5460 -10.5460 -10.5098 -10.5098 -10.4867 -10.4867 -10.4791 -10.4791 -10.3688 -10.3688 -10.3547 -10.3547 -10.0222 -10.0222 -9.9854 -9.9854 -1.3165 -1.3165 -1.2131 -1.2131 4.4264 4.4264 4.6205 4.6205 4.9570 4.9570 5.3457 5.3457 5.4918 5.4918 5.5627 5.5627 7.1906 7.1906 7.4584 7.4584 7.6537 7.6537 8.3944 8.3944 8.4057 8.4057 9.2492 9.2492 k = 0.5000 0.2032 1.1588 ( 6238 PWs) bands (ev): -28.8222 -28.8222 -28.8221 -28.8221 -28.5014 -28.5014 -28.4973 -28.4973 -11.6413 -11.6413 -11.6339 -11.6339 -11.4503 -11.4503 -11.4225 -11.4225 -10.5447 -10.5447 -10.5106 -10.5106 -10.4858 -10.4858 -10.4802 -10.4802 -10.3687 -10.3687 -10.3519 -10.3519 -10.0262 -10.0262 -9.9875 -9.9875 -1.3159 -1.3159 -1.2153 -1.2153 4.4197 4.4197 4.6130 4.6130 4.9246 4.9246 5.3480 5.3480 5.5122 5.5122 5.5762 5.5762 7.2195 7.2195 7.4770 7.4770 7.6514 7.6514 8.3658 8.3658 8.4266 8.4266 9.2737 9.2737 k = 0.5000 0.2032 1.1291 ( 6250 PWs) bands (ev): -28.8223 -28.8223 -28.8221 -28.8221 -28.5021 -28.5021 -28.4966 -28.4966 -11.6408 -11.6408 -11.6342 -11.6342 -11.4492 -11.4492 -11.4196 -11.4196 -10.5433 -10.5433 -10.5114 -10.5114 -10.4849 -10.4849 -10.4814 -10.4814 -10.3687 -10.3687 -10.3486 -10.3486 -10.0312 -10.0312 -9.9896 -9.9896 -1.3153 -1.3153 -1.2180 -1.2180 4.4091 4.4091 4.6100 4.6100 4.8898 4.8898 5.3517 5.3517 5.5302 5.5302 5.5916 5.5916 7.2530 7.2530 7.4989 7.4989 7.6468 7.6468 8.3365 8.3365 8.4521 8.4521 9.3028 9.3028 k = 0.5000 0.2032 1.0994 ( 6256 PWs) bands (ev): -28.8223 -28.8223 -28.8220 -28.8220 -28.5030 -28.5030 -28.4957 -28.4957 -11.6402 -11.6402 -11.6346 -11.6346 -11.4483 -11.4483 -11.4160 -11.4160 -10.5416 -10.5416 -10.5122 -10.5122 -10.4839 -10.4839 -10.4826 -10.4826 -10.3687 -10.3687 -10.3447 -10.3447 -10.0372 -10.0372 -9.9917 -9.9917 -1.3147 -1.3147 -1.2213 -1.2213 4.3946 4.3946 4.6118 4.6118 4.8540 4.8540 5.3561 5.3561 5.5455 5.5455 5.6085 5.6085 7.2907 7.2907 7.5241 7.5241 7.6390 7.6390 8.3092 8.3092 8.4816 8.4816 9.3362 9.3362 k = 0.5000 0.2032 1.0697 ( 6270 PWs) bands (ev): -28.8224 -28.8224 -28.8220 -28.8220 -28.5040 -28.5040 -28.4948 -28.4948 -11.6395 -11.6395 -11.6350 -11.6350 -11.4477 -11.4477 -11.4118 -11.4118 -10.5397 -10.5397 -10.5130 -10.5130 -10.4842 -10.4842 -10.4827 -10.4827 -10.3688 -10.3688 -10.3404 -10.3404 -10.0441 -10.0441 -9.9937 -9.9937 -1.3142 -1.3142 -1.2252 -1.2252 4.3772 4.3772 4.6178 4.6178 4.8188 4.8188 5.3608 5.3608 5.5578 5.5578 5.6263 5.6263 7.3323 7.3323 7.5525 7.5525 7.6267 7.6267 8.2861 8.2861 8.5150 8.5150 9.3740 9.3740 k = 0.5000 0.2032 1.0400 ( 6274 PWs) bands (ev): -28.8225 -28.8225 -28.8220 -28.8220 -28.5051 -28.5051 -28.4937 -28.4937 -11.6388 -11.6388 -11.6354 -11.6354 -11.4474 -11.4474 -11.4068 -11.4068 -10.5376 -10.5376 -10.5138 -10.5138 -10.4856 -10.4856 -10.4816 -10.4816 -10.3690 -10.3690 -10.3356 -10.3356 -10.0519 -10.0519 -9.9956 -9.9956 -1.3139 -1.3139 -1.2297 -1.2297 4.3583 4.3583 4.6260 4.6260 4.7864 4.7864 5.3654 5.3654 5.5669 5.5669 5.6448 5.6448 7.3772 7.3772 7.5836 7.5836 7.6093 7.6093 8.2689 8.2689 8.5521 8.5521 9.4156 9.4156 k = 0.5000 0.2032 1.0103 ( 6278 PWs) bands (ev): -28.8226 -28.8226 -28.8220 -28.8220 -28.5063 -28.5063 -28.4925 -28.4925 -11.6380 -11.6380 -11.6359 -11.6359 -11.4473 -11.4473 -11.4013 -11.4013 -10.5354 -10.5354 -10.5146 -10.5146 -10.4870 -10.4870 -10.4806 -10.4806 -10.3693 -10.3693 -10.3303 -10.3303 -10.0604 -10.0604 -9.9975 -9.9975 -1.3138 -1.3138 -1.2350 -1.2350 4.3390 4.3390 4.6328 4.6328 4.7605 4.7605 5.3697 5.3697 5.5728 5.5728 5.6635 5.6635 7.4251 7.4251 7.5846 7.5846 7.6189 7.6189 8.2586 8.2586 8.5930 8.5930 9.4606 9.4606 k = 0.5000 0.2032 0.9806 ( 6272 PWs) bands (ev): -28.8227 -28.8227 -28.8220 -28.8220 -28.5076 -28.5076 -28.4913 -28.4913 -11.6371 -11.6371 -11.6363 -11.6363 -11.4475 -11.4475 -11.3952 -11.3952 -10.5330 -10.5330 -10.5153 -10.5153 -10.4885 -10.4885 -10.4795 -10.4795 -10.3697 -10.3697 -10.3246 -10.3246 -10.0697 -10.0697 -9.9992 -9.9992 -1.3140 -1.3140 -1.2410 -1.2410 4.3206 4.3206 4.6319 4.6319 4.7473 4.7473 5.3736 5.3736 5.5757 5.5757 5.6823 5.6823 7.4750 7.4750 7.5555 7.5555 7.6558 7.6558 8.2556 8.2556 8.6374 8.6374 9.5083 9.5083 k = 0.5000 0.2032 0.9508 ( 6274 PWs) bands (ev): -28.8228 -28.8228 -28.8220 -28.8220 -28.5090 -28.5090 -28.4900 -28.4900 -11.6369 -11.6369 -11.6361 -11.6361 -11.4479 -11.4479 -11.3887 -11.3887 -10.5306 -10.5306 -10.5159 -10.5159 -10.4900 -10.4900 -10.4785 -10.4785 -10.3702 -10.3702 -10.3185 -10.3185 -10.0794 -10.0794 -10.0008 -10.0008 -1.3145 -1.3145 -1.2478 -1.2478 4.3037 4.3037 4.6192 4.6192 4.7510 4.7510 5.3768 5.3768 5.5757 5.5757 5.7010 5.7010 7.5090 7.5090 7.5385 7.5385 7.6954 7.6954 8.2595 8.2595 8.6852 8.6852 9.5575 9.5575 k = 0.5000 0.2032 0.9211 ( 6272 PWs) bands (ev): -28.8229 -28.8229 -28.8219 -28.8219 -28.5105 -28.5105 -28.4885 -28.4885 -11.6374 -11.6374 -11.6352 -11.6352 -11.4485 -11.4485 -11.3818 -11.3818 -10.5282 -10.5282 -10.5164 -10.5164 -10.4914 -10.4914 -10.4775 -10.4775 -10.3709 -10.3709 -10.3119 -10.3119 -10.0895 -10.0895 -10.0024 -10.0024 -1.3155 -1.3155 -1.2554 -1.2554 4.2888 4.2888 4.5986 4.5986 4.7677 4.7677 5.3792 5.3792 5.5734 5.5734 5.7197 5.7197 7.4738 7.4738 7.5877 7.5877 7.7376 7.7376 8.2692 8.2692 8.7363 8.7363 9.6055 9.6055 k = 0.5000 0.2032 0.8914 ( 6278 PWs) bands (ev): -28.8230 -28.8230 -28.8219 -28.8219 -28.5120 -28.5120 -28.4871 -28.4871 -11.6380 -11.6380 -11.6341 -11.6341 -11.4493 -11.4493 -11.3747 -11.3747 -10.5259 -10.5259 -10.5166 -10.5166 -10.4928 -10.4928 -10.4765 -10.4765 -10.3719 -10.3719 -10.3049 -10.3049 -10.0998 -10.0998 -10.0039 -10.0039 -1.3170 -1.3170 -1.2639 -1.2639 4.2765 4.2765 4.5756 4.5756 4.7922 4.7922 5.3805 5.3805 5.5693 5.5693 5.7382 5.7382 7.4287 7.4287 7.6446 7.6446 7.7821 7.7821 8.2833 8.2833 8.7903 8.7903 9.5953 9.5953 k = 0.5000 0.2032 0.8617 ( 6282 PWs) bands (ev): -28.8231 -28.8231 -28.8219 -28.8219 -28.5136 -28.5136 -28.4855 -28.4855 -11.6385 -11.6385 -11.6330 -11.6330 -11.4504 -11.4504 -11.3674 -11.3674 -10.5241 -10.5241 -10.5162 -10.5162 -10.4941 -10.4941 -10.4756 -10.4756 -10.3730 -10.3730 -10.2975 -10.2975 -10.1103 -10.1103 -10.0053 -10.0053 -1.3190 -1.3190 -1.2733 -1.2733 4.2668 4.2668 4.5533 4.5533 4.8215 4.8215 5.3804 5.3804 5.5642 5.5642 5.7567 5.7567 7.3799 7.3799 7.7037 7.7037 7.8287 7.8287 8.3004 8.3004 8.8471 8.8471 9.5341 9.5341 k = 0.5000 0.2032 0.8320 ( 6286 PWs) bands (ev): -28.8232 -28.8232 -28.8219 -28.8219 -28.5153 -28.5153 -28.4839 -28.4839 -11.6391 -11.6391 -11.6319 -11.6319 -11.4516 -11.4516 -11.3599 -11.3599 -10.5230 -10.5230 -10.5150 -10.5150 -10.4953 -10.4953 -10.4748 -10.4748 -10.3745 -10.3745 -10.2897 -10.2897 -10.1207 -10.1207 -10.0066 -10.0066 -1.3216 -1.3216 -1.2835 -1.2835 4.2599 4.2599 4.5333 4.5333 4.8541 4.8541 5.3787 5.3787 5.5589 5.5589 5.7749 5.7749 7.3285 7.3285 7.7645 7.7645 7.8772 7.8772 8.3190 8.3190 8.9062 8.9062 9.4728 9.4728 k = 0.5000 0.2032 0.8023 ( 6282 PWs) bands (ev): -28.8234 -28.8234 -28.8218 -28.8218 -28.5170 -28.5170 -28.4822 -28.4822 -11.6397 -11.6397 -11.6308 -11.6308 -11.4530 -11.4530 -11.3523 -11.3523 -10.5228 -10.5228 -10.5130 -10.5130 -10.4964 -10.4964 -10.4740 -10.4740 -10.3763 -10.3763 -10.2815 -10.2815 -10.1309 -10.1309 -10.0078 -10.0078 -1.3248 -1.3248 -1.2945 -1.2945 4.2557 4.2557 4.5164 4.5164 4.8893 4.8893 5.3753 5.3753 5.5543 5.5543 5.7930 5.7930 7.2755 7.2755 7.8268 7.8268 7.9275 7.9275 8.3378 8.3378 8.9670 8.9670 9.4126 9.4126 k = 0.5000 0.2032 0.7726 ( 6296 PWs) bands (ev): -28.8235 -28.8235 -28.8218 -28.8218 -28.5187 -28.5187 -28.4805 -28.4805 -11.6403 -11.6403 -11.6296 -11.6296 -11.4546 -11.4546 -11.3448 -11.3448 -10.5230 -10.5230 -10.5105 -10.5105 -10.4973 -10.4973 -10.4733 -10.4733 -10.3784 -10.3784 -10.2730 -10.2730 -10.1408 -10.1408 -10.0088 -10.0088 -1.3288 -1.3288 -1.3064 -1.3064 4.2541 4.2541 4.5031 4.5031 4.9266 4.9266 5.3701 5.3701 5.5511 5.5511 5.8109 5.8109 7.2214 7.2214 7.8905 7.8905 7.9794 7.9794 8.3558 8.3558 9.0287 9.0287 9.3538 9.3538 k = 0.5000 0.2032 0.7429 ( 6300 PWs) bands (ev): -28.8236 -28.8236 -28.8218 -28.8218 -28.5205 -28.5205 -28.4788 -28.4788 -11.6409 -11.6409 -11.6284 -11.6284 -11.4565 -11.4565 -11.3373 -11.3373 -10.5234 -10.5234 -10.5079 -10.5079 -10.4980 -10.4980 -10.4727 -10.4727 -10.3810 -10.3810 -10.2642 -10.2642 -10.1503 -10.1503 -10.0097 -10.0097 -1.3334 -1.3334 -1.3190 -1.3190 4.2548 4.2548 4.4938 4.4938 4.9657 4.9657 5.3638 5.3638 5.5497 5.5497 5.8284 5.8284 7.1669 7.1669 7.9555 7.9555 8.0326 8.0326 8.3720 8.3720 9.0895 9.0895 9.2972 9.2972 k = 0.5000 0.2032 0.7131 ( 6294 PWs) bands (ev): -28.8237 -28.8237 -28.8218 -28.8218 -28.5223 -28.5223 -28.4771 -28.4771 -11.6415 -11.6415 -11.6272 -11.6272 -11.4585 -11.4585 -11.3299 -11.3299 -10.5240 -10.5240 -10.5054 -10.5054 -10.4984 -10.4984 -10.4721 -10.4721 -10.3839 -10.3839 -10.2552 -10.2552 -10.1593 -10.1593 -10.0104 -10.0104 -1.3392 -1.3392 -1.3319 -1.3319 4.2575 4.2575 4.4886 4.4886 5.0062 5.0062 5.3572 5.3572 5.5502 5.5502 5.8455 5.8455 7.1123 7.1123 8.0217 8.0217 8.0870 8.0870 8.3859 8.3859 9.1440 9.1440 9.2469 9.2469 k = 0.5000 0.2032 0.6834 ( 6278 PWs) bands (ev): -28.8239 -28.8239 -28.8217 -28.8217 -28.5241 -28.5241 -28.4753 -28.4753 -11.6422 -11.6422 -11.6260 -11.6260 -11.4607 -11.4607 -11.3227 -11.3227 -10.5246 -10.5246 -10.5034 -10.5034 -10.4981 -10.4981 -10.4716 -10.4716 -10.3873 -10.3873 -10.2460 -10.2460 -10.1677 -10.1677 -10.0109 -10.0109 -1.3485 -1.3485 -1.3425 -1.3425 4.2615 4.2615 4.4878 4.4878 5.0477 5.0477 5.3515 5.3515 5.5527 5.5527 5.8621 5.8621 7.0580 7.0580 8.0890 8.0890 8.1422 8.1422 8.3971 8.3971 9.1565 9.1565 9.2361 9.2361 k = 0.5000 0.2032 0.6537 ( 6284 PWs) bands (ev): -28.8240 -28.8240 -28.8217 -28.8217 -28.5259 -28.5259 -28.4735 -28.4735 -11.6428 -11.6428 -11.6247 -11.6247 -11.4631 -11.4631 -11.3157 -11.3157 -10.5253 -10.5253 -10.5024 -10.5024 -10.4967 -10.4967 -10.4712 -10.4712 -10.3910 -10.3910 -10.2368 -10.2368 -10.1753 -10.1753 -10.0111 -10.0111 -1.3624 -1.3624 -1.3498 -1.3498 4.2663 4.2663 4.4914 4.4914 5.0895 5.0895 5.3484 5.3484 5.5567 5.5567 5.8781 5.8781 7.0043 7.0043 8.1573 8.1573 8.1980 8.1980 8.4055 8.4055 9.1132 9.1132 9.2748 9.2748 k = 0.5000 0.2032 0.6240 ( 6290 PWs) bands (ev): -28.8241 -28.8241 -28.8217 -28.8217 -28.5278 -28.5278 -28.4717 -28.4717 -11.6434 -11.6434 -11.6235 -11.6235 -11.4656 -11.4656 -11.3089 -11.3089 -10.5261 -10.5261 -10.5022 -10.5022 -10.4945 -10.4945 -10.4709 -10.4709 -10.3952 -10.3952 -10.2275 -10.2275 -10.1822 -10.1822 -10.0110 -10.0110 -1.3775 -1.3775 -1.3571 -1.3571 4.2713 4.2713 4.4995 4.4995 5.1307 5.1307 5.3498 5.3498 5.5622 5.5622 5.8932 5.8932 6.9515 6.9515 8.2265 8.2265 8.2541 8.2541 8.4112 8.4112 9.0613 9.0613 9.3069 9.3069 k = 0.5000 0.2032 0.5943 ( 6300 PWs) bands (ev): -28.8243 -28.8243 -28.8217 -28.8217 -28.5295 -28.5295 -28.4700 -28.4700 -11.6440 -11.6440 -11.6223 -11.6223 -11.4683 -11.4683 -11.3023 -11.3023 -10.5269 -10.5269 -10.5022 -10.5022 -10.4920 -10.4920 -10.4706 -10.4706 -10.3997 -10.3997 -10.2183 -10.2183 -10.1884 -10.1884 -10.0106 -10.0106 -1.3931 -1.3931 -1.3647 -1.3647 4.2757 4.2757 4.5121 4.5121 5.1703 5.1703 5.3578 5.3578 5.5688 5.5688 5.9074 5.9074 6.8998 6.8998 8.2960 8.2960 8.3100 8.3100 8.4147 8.4147 9.0086 9.0086 9.2621 9.2621 k = 0.5000 0.2032 0.5646 ( 6300 PWs) bands (ev): -28.8244 -28.8244 -28.8216 -28.8216 -28.5313 -28.5313 -28.4682 -28.4682 -11.6445 -11.6445 -11.6210 -11.6210 -11.4712 -11.4712 -11.2961 -11.2961 -10.5278 -10.5278 -10.5022 -10.5022 -10.4896 -10.4896 -10.4703 -10.4703 -10.4045 -10.4045 -10.2095 -10.2095 -10.1936 -10.1936 -10.0097 -10.0097 -1.4091 -1.4091 -1.3729 -1.3729 4.2790 4.2790 4.5291 4.5291 5.2069 5.2069 5.3746 5.3746 5.5764 5.5764 5.9205 5.9205 6.8494 6.8494 8.3598 8.3598 8.3686 8.3686 8.4182 8.4182 8.9562 8.9562 9.1654 9.1654 k = 0.5000 0.2032 0.5349 ( 6294 PWs) bands (ev): -28.8245 -28.8245 -28.8216 -28.8216 -28.5331 -28.5331 -28.4665 -28.4665 -11.6451 -11.6451 -11.6198 -11.6198 -11.4741 -11.4741 -11.2901 -11.2901 -10.5287 -10.5287 -10.5021 -10.5021 -10.4872 -10.4872 -10.4701 -10.4701 -10.4094 -10.4094 -10.2024 -10.2024 -10.1966 -10.1966 -10.0084 -10.0084 -1.4253 -1.4253 -1.3814 -1.3814 4.2805 4.2805 4.5503 4.5503 5.2401 5.2401 5.4010 5.4010 5.5850 5.5850 5.9321 5.9321 6.8005 6.8005 8.4032 8.4032 8.4134 8.4134 8.4515 8.4515 8.9045 8.9045 9.0673 9.0673 k = 0.5000 0.2032 0.5051 ( 6300 PWs) bands (ev): -28.8246 -28.8246 -28.8216 -28.8216 -28.5348 -28.5348 -28.4648 -28.4648 -11.6457 -11.6457 -11.6187 -11.6187 -11.4772 -11.4772 -11.2845 -11.2845 -10.5297 -10.5297 -10.5020 -10.5020 -10.4850 -10.4850 -10.4698 -10.4698 -10.4146 -10.4146 -10.2036 -10.2036 -10.1911 -10.1911 -10.0067 -10.0067 -1.4415 -1.4415 -1.3902 -1.3902 4.2799 4.2799 4.5755 4.5755 5.2712 5.2712 5.4362 5.4362 5.5946 5.5946 5.9423 5.9423 6.7533 6.7533 8.4045 8.4045 8.4552 8.4552 8.5219 8.5219 8.8534 8.8534 8.9756 8.9756 k = 0.5000 0.2032 0.4754 ( 6310 PWs) bands (ev): -28.8248 -28.8248 -28.8216 -28.8216 -28.5364 -28.5364 -28.4632 -28.4632 -11.6462 -11.6462 -11.6175 -11.6175 -11.4803 -11.4803 -11.2792 -11.2792 -10.5308 -10.5308 -10.5017 -10.5017 -10.4831 -10.4831 -10.4695 -10.4695 -10.4197 -10.4197 -10.2066 -10.2066 -10.1835 -10.1835 -10.0044 -10.0044 -1.4577 -1.4577 -1.3992 -1.3992 4.2769 4.2769 4.6045 4.6045 5.3024 5.3024 5.4773 5.4773 5.6057 5.6057 5.9508 5.9508 6.7079 6.7079 8.4003 8.4003 8.4822 8.4822 8.5969 8.5969 8.8035 8.8035 8.8992 8.8992 k = 0.5000 0.2032 0.4457 ( 6310 PWs) bands (ev): -28.8249 -28.8249 -28.8216 -28.8216 -28.5380 -28.5380 -28.4616 -28.4616 -11.6467 -11.6467 -11.6164 -11.6164 -11.4835 -11.4835 -11.2743 -11.2743 -10.5319 -10.5319 -10.5014 -10.5014 -10.4816 -10.4816 -10.4690 -10.4690 -10.4248 -10.4248 -10.2094 -10.2094 -10.1763 -10.1763 -10.0016 -10.0016 -1.4738 -1.4738 -1.4085 -1.4085 4.2715 4.2715 4.6370 4.6370 5.3357 5.3357 5.5201 5.5201 5.6201 5.6201 5.9576 5.9576 6.6645 6.6645 8.3944 8.3944 8.4792 8.4792 8.6737 8.6737 8.7568 8.7568 8.8513 8.8513 k = 0.5000 0.2032 0.4160 ( 6312 PWs) bands (ev): -28.8250 -28.8250 -28.8215 -28.8215 -28.5396 -28.5396 -28.4601 -28.4601 -11.6472 -11.6472 -11.6153 -11.6153 -11.4867 -11.4867 -11.2697 -11.2697 -10.5330 -10.5330 -10.5010 -10.5010 -10.4804 -10.4804 -10.4683 -10.4683 -10.4297 -10.4297 -10.2117 -10.2117 -10.1696 -10.1696 -9.9982 -9.9982 -1.4895 -1.4895 -1.4177 -1.4177 4.2637 4.2637 4.6727 4.6727 5.3726 5.3726 5.5583 5.5583 5.6421 5.6421 5.9625 5.9625 6.6231 6.6231 8.3874 8.3874 8.4366 8.4366 8.7131 8.7131 8.7524 8.7524 8.8420 8.8420 k = 0.5000 0.2032 0.3863 ( 6308 PWs) bands (ev): -28.8251 -28.8251 -28.8215 -28.8215 -28.5410 -28.5410 -28.4586 -28.4586 -11.6477 -11.6477 -11.6143 -11.6143 -11.4899 -11.4899 -11.2654 -11.2654 -10.5342 -10.5342 -10.5005 -10.5005 -10.4797 -10.4797 -10.4673 -10.4673 -10.4345 -10.4345 -10.2135 -10.2135 -10.1636 -10.1636 -9.9945 -9.9945 -1.5048 -1.5048 -1.4269 -1.4269 4.2539 4.2539 4.7112 4.7112 5.4134 5.4134 5.5850 5.5850 5.6770 5.6770 5.9656 5.9656 6.5840 6.5840 8.3624 8.3624 8.3812 8.3812 8.6707 8.6707 8.8324 8.8324 8.8647 8.8647 k = 0.5000 0.2032 0.3566 ( 6296 PWs) bands (ev): -28.8252 -28.8252 -28.8215 -28.8215 -28.5424 -28.5424 -28.4572 -28.4572 -11.6481 -11.6481 -11.6134 -11.6134 -11.4931 -11.4931 -11.2615 -11.2615 -10.5354 -10.5354 -10.5000 -10.5000 -10.4794 -10.4794 -10.4662 -10.4662 -10.4389 -10.4389 -10.2150 -10.2150 -10.1584 -10.1584 -9.9903 -9.9903 -1.5196 -1.5196 -1.4359 -1.4359 4.2425 4.2425 4.7523 4.7523 5.4581 5.4581 5.6007 5.6007 5.7229 5.7229 5.9674 5.9674 6.5472 6.5472 8.2750 8.2750 8.3724 8.3724 8.6294 8.6294 8.9035 8.9035 8.9150 8.9150 k = 0.5000 0.2032 0.3269 ( 6296 PWs) bands (ev): -28.8253 -28.8253 -28.8215 -28.8215 -28.5437 -28.5437 -28.4559 -28.4559 -11.6486 -11.6486 -11.6124 -11.6124 -11.4961 -11.4961 -11.2580 -11.2580 -10.5366 -10.5366 -10.4994 -10.4994 -10.4795 -10.4795 -10.4649 -10.4649 -10.4431 -10.4431 -10.2162 -10.2162 -10.1538 -10.1538 -9.9858 -9.9858 -1.5336 -1.5336 -1.4447 -1.4447 4.2299 4.2299 4.7956 4.7956 5.5061 5.5061 5.6103 5.6103 5.7730 5.7730 5.9685 5.9685 6.5128 6.5128 8.1809 8.1809 8.3640 8.3640 8.5900 8.5900 8.9510 8.9510 8.9977 8.9977 k = 0.5000 0.2032 0.2971 ( 6296 PWs) bands (ev): -28.8254 -28.8254 -28.8215 -28.8215 -28.5449 -28.5449 -28.4547 -28.4547 -11.6489 -11.6489 -11.6116 -11.6116 -11.4991 -11.4991 -11.2548 -11.2548 -10.5378 -10.5378 -10.4988 -10.4988 -10.4797 -10.4797 -10.4636 -10.4636 -10.4469 -10.4469 -10.2171 -10.2171 -10.1498 -10.1498 -9.9811 -9.9811 -1.5469 -1.5469 -1.4530 -1.4530 4.2166 4.2166 4.8405 4.8405 5.5568 5.5568 5.6162 5.6162 5.8219 5.8219 5.9712 5.9712 6.4810 6.4810 8.0853 8.0853 8.3553 8.3553 8.5529 8.5529 9.0010 9.0010 9.0361 9.0361 k = 0.5000 0.2032 0.2674 ( 6310 PWs) bands (ev): -28.8255 -28.8255 -28.8215 -28.8215 -28.5460 -28.5460 -28.4536 -28.4536 -11.6493 -11.6493 -11.6108 -11.6108 -11.5019 -11.5019 -11.2519 -11.2519 -10.5391 -10.5391 -10.4982 -10.4982 -10.4801 -10.4801 -10.4623 -10.4623 -10.4503 -10.4503 -10.2178 -10.2178 -10.1465 -10.1465 -9.9763 -9.9763 -1.5592 -1.5592 -1.4609 -1.4609 4.2031 4.2031 4.8865 4.8865 5.6093 5.6093 5.6195 5.6195 5.8630 5.8630 5.9799 5.9799 6.4522 6.4522 7.9908 7.9908 8.3462 8.3462 8.5187 8.5187 8.9988 8.9988 9.0519 9.0519 k = 0.5000 0.2032 0.2377 ( 6314 PWs) bands (ev): -28.8255 -28.8255 -28.8215 -28.8215 -28.5471 -28.5471 -28.4526 -28.4526 -11.6496 -11.6496 -11.6101 -11.6101 -11.5045 -11.5045 -11.2494 -11.2494 -10.5402 -10.5402 -10.4976 -10.4976 -10.4806 -10.4806 -10.4611 -10.4611 -10.4533 -10.4533 -10.2183 -10.2183 -10.1438 -10.1438 -9.9716 -9.9716 -1.5705 -1.5705 -1.4683 -1.4683 4.1899 4.1899 4.9332 4.9332 5.6199 5.6199 5.6629 5.6629 5.8882 5.8882 6.0016 6.0016 6.4268 6.4268 7.8990 7.8990 8.3367 8.3367 8.4878 8.4878 8.9643 8.9643 9.1001 9.1002 k = 0.5000 0.2032 0.2080 ( 6306 PWs) bands (ev): -28.8256 -28.8256 -28.8215 -28.8215 -28.5480 -28.5480 -28.4517 -28.4517 -11.6499 -11.6499 -11.6095 -11.6095 -11.5069 -11.5069 -11.2472 -11.2472 -10.5414 -10.5414 -10.4970 -10.4970 -10.4811 -10.4811 -10.4599 -10.4599 -10.4560 -10.4560 -10.2186 -10.2186 -10.1416 -10.1416 -9.9670 -9.9670 -1.5808 -1.5808 -1.4750 -1.4750 4.1772 4.1772 4.9797 4.9797 5.6178 5.6178 5.7160 5.7160 5.8970 5.8970 6.0352 6.0352 6.4057 6.4057 7.8113 7.8113 8.3265 8.3265 8.4608 8.4608 8.9330 8.9330 9.0794 9.0794 k = 0.5000 0.2032 0.1783 ( 6298 PWs) bands (ev): -28.8257 -28.8257 -28.8214 -28.8214 -28.5487 -28.5487 -28.4509 -28.4509 -11.6502 -11.6502 -11.6089 -11.6089 -11.5090 -11.5090 -11.2453 -11.2453 -10.5424 -10.5424 -10.4964 -10.4964 -10.4816 -10.4816 -10.4589 -10.4589 -10.4583 -10.4583 -10.2189 -10.2189 -10.1398 -10.1398 -9.9629 -9.9629 -1.5898 -1.5898 -1.4810 -1.4810 4.1656 4.1656 5.0253 5.0253 5.6130 5.6130 5.7672 5.7672 5.8980 5.8980 6.0708 6.0708 6.3903 6.3903 7.7292 7.7292 8.3156 8.3156 8.4380 8.4380 8.9053 8.9053 9.0564 9.0564 k = 0.5000 0.2032 0.1486 ( 6300 PWs) bands (ev): -28.8257 -28.8257 -28.8214 -28.8214 -28.5494 -28.5494 -28.4502 -28.4502 -11.6504 -11.6504 -11.6084 -11.6084 -11.5108 -11.5108 -11.2437 -11.2437 -10.5433 -10.5433 -10.4959 -10.4959 -10.4821 -10.4821 -10.4602 -10.4602 -10.4580 -10.4580 -10.2191 -10.2191 -10.1383 -10.1383 -9.9591 -9.9591 -1.5976 -1.5976 -1.4862 -1.4862 4.1552 4.1552 5.0688 5.0688 5.6056 5.6056 5.8134 5.8134 5.8987 5.8987 6.0999 6.0999 6.3826 6.3826 7.6540 7.6540 8.3043 8.3043 8.4198 8.4198 8.8815 8.8815 9.0369 9.0369 k = 0.5000 0.2032 0.1189 ( 6304 PWs) bands (ev): -28.8257 -28.8257 -28.8214 -28.8214 -28.5500 -28.5500 -28.4497 -28.4497 -11.6506 -11.6506 -11.6080 -11.6080 -11.5124 -11.5124 -11.2424 -11.2424 -10.5441 -10.5441 -10.4955 -10.4955 -10.4825 -10.4825 -10.4618 -10.4618 -10.4573 -10.4573 -10.2192 -10.2192 -10.1372 -10.1372 -9.9559 -9.9559 -1.6041 -1.6041 -1.4905 -1.4905 4.1464 4.1464 5.1090 5.1090 5.5960 5.5960 5.8465 5.8465 5.9089 5.9089 6.1174 6.1174 6.3837 6.3837 7.5878 7.5878 8.2930 8.2930 8.4059 8.4059 8.8617 8.8617 9.0210 9.0210 k = 0.5000 0.2032 0.0891 ( 6312 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5504 -28.5504 -28.4493 -28.4493 -11.6507 -11.6507 -11.6077 -11.6077 -11.5136 -11.5136 -11.2414 -11.2414 -10.5447 -10.5447 -10.4952 -10.4952 -10.4828 -10.4828 -10.4630 -10.4630 -10.4567 -10.4567 -10.2193 -10.2193 -10.1364 -10.1364 -9.9533 -9.9533 -1.6091 -1.6091 -1.4939 -1.4939 4.1393 4.1393 5.1442 5.1442 5.5853 5.5853 5.8586 5.8586 5.9367 5.9367 6.1216 6.1216 6.3924 6.3924 7.5325 7.5325 8.2828 8.2828 8.3959 8.3959 8.8463 8.8463 9.0086 9.0086 k = 0.5000 0.2032 0.0594 ( 6312 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5507 -28.5507 -28.4489 -28.4489 -11.6508 -11.6508 -11.6075 -11.6075 -11.5145 -11.5145 -11.2407 -11.2407 -10.5452 -10.5452 -10.4949 -10.4949 -10.4830 -10.4830 -10.4639 -10.4639 -10.4563 -10.4563 -10.2193 -10.2193 -10.1359 -10.1359 -9.9514 -9.9514 -1.6128 -1.6128 -1.4964 -1.4964 4.1341 4.1341 5.1721 5.1721 5.5751 5.5751 5.8602 5.8602 5.9705 5.9705 6.1151 6.1151 6.4044 6.4044 7.4905 7.4905 8.2746 8.2746 8.3893 8.3893 8.8351 8.8351 8.9998 8.9998 k = 0.5000 0.2032 0.0297 ( 6320 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5509 -28.5509 -28.4488 -28.4488 -11.6509 -11.6509 -11.6073 -11.6073 -11.5150 -11.5150 -11.2402 -11.2402 -10.5455 -10.5455 -10.4948 -10.4948 -10.4831 -10.4831 -10.4644 -10.4644 -10.4560 -10.4560 -10.2193 -10.2193 -10.1355 -10.1355 -9.9502 -9.9502 -1.6150 -1.6150 -1.4979 -1.4979 4.1310 4.1310 5.1903 5.1903 5.5676 5.5676 5.8597 5.8597 5.9987 5.9987 6.1034 6.1034 6.4142 6.4142 7.4641 7.4641 8.2694 8.2694 8.3855 8.3855 8.8284 8.8284 8.9945 8.9945 k = 0.5000 0.2032-0.0000 ( 6326 PWs) bands (ev): -28.8258 -28.8258 -28.8214 -28.8214 -28.5510 -28.5510 -28.4487 -28.4487 -11.6509 -11.6509 -11.6073 -11.6073 -11.5152 -11.5152 -11.2401 -11.2401 -10.5456 -10.5456 -10.4948 -10.4948 -10.4831 -10.4831 -10.4646 -10.4646 -10.4559 -10.4559 -10.2194 -10.2194 -10.1354 -10.1354 -9.9498 -9.9498 -1.6157 -1.6157 -1.4984 -1.4984 4.1299 4.1299 5.1966 5.1966 5.5648 5.5648 5.8594 5.8594 6.0109 6.0109 6.0968 6.0968 6.4180 6.4180 7.4551 7.4551 8.2676 8.2676 8.3843 8.3843 8.8262 8.8262 8.9927 8.9927 k = 0.0000 0.0000 1.3280 ( 6246 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5076 -10.5076 -10.4889 -10.4889 -10.4770 -10.4770 -10.3692 -10.3692 -10.3605 -10.3605 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4317 4.4317 4.6561 4.6561 5.0359 5.0359 5.3688 5.3688 5.4034 5.4034 5.5330 5.5330 7.1270 7.1270 7.4191 7.4191 7.6545 7.6545 8.3585 8.3585 8.4726 8.4726 9.1977 9.1977 k = 0.0250 0.0102 1.3280 ( 6244 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5077 -10.5077 -10.4889 -10.4889 -10.4770 -10.4770 -10.3692 -10.3692 -10.3605 -10.3605 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4318 4.4318 4.6556 4.6556 5.0369 5.0369 5.3688 5.3688 5.4037 5.4037 5.5318 5.5318 7.1266 7.1266 7.4227 7.4227 7.6549 7.6549 8.3251 8.3251 8.5050 8.5050 9.1957 9.1957 k = 0.0500 0.0203 1.3280 ( 6242 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5077 -10.5077 -10.4887 -10.4887 -10.4771 -10.4771 -10.3691 -10.3691 -10.3605 -10.3605 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4322 4.4322 4.6541 4.6541 5.0395 5.0395 5.3689 5.3689 5.4048 5.4048 5.5281 5.5281 7.1256 7.1256 7.4334 7.4334 7.6561 7.6561 8.2636 8.2636 8.5634 8.5634 9.1899 9.1899 k = 0.0750 0.0305 1.3280 ( 6238 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5078 -10.5078 -10.4885 -10.4885 -10.4773 -10.4773 -10.3691 -10.3691 -10.3606 -10.3606 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4329 4.4329 4.6518 4.6518 5.0437 5.0437 5.3690 5.3690 5.4066 5.4066 5.5222 5.5222 7.1241 7.1241 7.4512 7.4512 7.6580 7.6580 8.1964 8.1964 8.6255 8.6255 9.1802 9.1802 k = 0.1000 0.0406 1.3280 ( 6242 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5078 -10.5078 -10.4882 -10.4882 -10.4776 -10.4776 -10.3690 -10.3690 -10.3607 -10.3607 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4337 4.4337 4.6489 4.6489 5.0489 5.0489 5.3693 5.3693 5.4092 5.4092 5.5143 5.5143 7.1222 7.1222 7.4756 7.4756 7.6603 7.6603 8.1278 8.1278 8.6870 8.6870 9.1664 9.1664 k = 0.1250 0.0508 1.3280 ( 6250 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5079 -10.5079 -10.4878 -10.4878 -10.4779 -10.4779 -10.3688 -10.3688 -10.3608 -10.3608 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4346 4.4346 4.6457 4.6457 5.0548 5.0548 5.3696 5.3696 5.4126 5.4126 5.5050 5.5050 7.1201 7.1201 7.5064 7.5064 7.6628 7.6628 8.0592 8.0592 8.7466 8.7466 9.1487 9.1487 k = 0.1500 0.0610 1.3280 ( 6248 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5080 -10.5080 -10.4874 -10.4874 -10.4782 -10.4782 -10.3687 -10.3687 -10.3609 -10.3609 -10.0146 -10.0146 -9.9797 -9.9797 -1.3181 -1.3181 -1.2087 -1.2087 4.4356 4.4356 4.6425 4.6425 5.0607 5.0607 5.3699 5.3699 5.4167 5.4167 5.4948 5.4948 7.1180 7.1180 7.5432 7.5432 7.6654 7.6654 7.9914 7.9914 8.8035 8.8035 9.1268 9.1268 k = 0.1750 0.0711 1.3280 ( 6248 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5081 -10.5081 -10.4871 -10.4871 -10.4785 -10.4785 -10.3686 -10.3686 -10.3610 -10.3610 -10.0146 -10.0146 -9.9797 -9.9797 -1.3180 -1.3180 -1.2088 -1.2088 4.4364 4.4364 4.6397 4.6397 5.0660 5.0660 5.3703 5.3703 5.4217 5.4217 5.4841 5.4841 7.1161 7.1161 7.5854 7.5854 7.6677 7.6677 7.9249 7.9249 8.8572 8.8572 9.1009 9.1009 k = 0.2000 0.0813 1.3280 ( 6258 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5082 -10.5082 -10.4868 -10.4868 -10.4787 -10.4787 -10.3685 -10.3685 -10.3611 -10.3611 -10.0146 -10.0146 -9.9797 -9.9797 -1.3180 -1.3180 -1.2088 -1.2088 4.4371 4.4371 4.6375 4.6375 5.0703 5.0703 5.3707 5.3707 5.4274 5.4274 5.4740 5.4740 7.1146 7.1146 7.6325 7.6325 7.6695 7.6695 7.8605 7.8605 8.9075 8.9075 9.0708 9.0708 k = 0.2250 0.0914 1.3280 ( 6262 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5082 -10.5082 -10.4866 -10.4866 -10.4789 -10.4789 -10.3684 -10.3684 -10.3612 -10.3612 -10.0146 -10.0146 -9.9797 -9.9797 -1.3180 -1.3180 -1.2088 -1.2088 4.4376 4.4376 4.6361 4.6361 5.0730 5.0730 5.3710 5.3710 5.4328 5.4328 5.4655 5.4655 7.1137 7.1137 7.6702 7.6702 7.6846 7.6846 7.7985 7.7985 8.9538 8.9538 9.0366 9.0366 k = 0.2500 0.1016 1.3280 ( 6284 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -28.4993 -28.4993 -28.4993 -28.4993 -11.6428 -11.6428 -11.6331 -11.6331 -11.4550 -11.4550 -11.4285 -11.4285 -10.5488 -10.5488 -10.5082 -10.5082 -10.4866 -10.4866 -10.4789 -10.4789 -10.3684 -10.3684 -10.3612 -10.3612 -10.0146 -10.0146 -9.9797 -9.9797 -1.3180 -1.3180 -1.2088 -1.2088 4.4377 4.4377 4.6356 4.6356 5.0740 5.0740 5.3710 5.3710 5.4356 5.4356 5.4617 5.4617 7.1133 7.1133 7.6708 7.6708 7.7386 7.7386 7.7408 7.7408 8.9913 8.9913 9.0033 9.0033 Writing output data file Sr2Sb.save init_run : 0.42s CPU 0.60s WALL ( 1 calls) electrons : 337.95s CPU 341.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.07s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 337.94s CPU 341.65s 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 0.02s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 274 calls) cegterg : 310.08s CPU 313.08s WALL ( 540 calls) Called by sum_band: Called by *egterg: h_psi : 204.02s CPU 207.04s WALL ( 8207 calls) s_psi : 7.98s CPU 8.16s WALL ( 8207 calls) g_psi : 0.17s CPU 0.20s WALL ( 7393 calls) cdiaghg : 97.95s CPU 98.26s WALL ( 7667 calls) cegterg:over : 9.36s CPU 9.40s WALL ( 7393 calls) cegterg:upda : 6.36s CPU 6.13s WALL ( 7393 calls) cegterg:last : 3.64s CPU 3.61s WALL ( 1274 calls) cdiaghg:chol : 4.34s CPU 4.19s WALL ( 7667 calls) cdiaghg:inve : 2.34s CPU 2.37s WALL ( 7667 calls) cdiaghg:para : 5.40s CPU 5.53s WALL ( 15334 calls) Called by h_psi: h_psi:vloc : 185.62s CPU 188.33s WALL ( 8207 calls) h_psi:vnl : 18.22s CPU 18.51s WALL ( 8207 calls) add_vuspsi : 9.91s CPU 9.94s WALL ( 8207 calls) General routines calbec : 8.28s CPU 8.55s WALL ( 8207 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 173.88s CPU 176.33s WALL ( 888460 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.38s WALL ( 548 calls) Parallel routines fft_scatter : 99.26s CPU 100.78s WALL ( 888483 calls) PWSCF : 6m 7.42s CPU 6m29.85s WALL This run was terminated on: 9:55:28 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=