Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:26:49 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: ./Br.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 35 29 8 1957 1449 216 Max 36 30 9 1966 1468 221 Sum 2591 2125 603 141347 104907 15729 bravais-lattice index = 14 lattice parameter (alat) = 16.3098 a.u. unit-cell volume = 2197.3367 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.309750 celldm(2)= 1.000000 celldm(3)= 1.010341 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.865281 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.865281 0.501287 0.000000 ) a(3) = ( 0.000000 0.000000 1.010341 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.726118 -0.000000 ) b(2) = ( 0.000000 1.994864 -0.000000 ) b(3) = ( 0.000000 0.000000 0.989765 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0070541 0.0262482 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0141082 0.0524964 -0.0000000), wk = 0.0034722 k( 4) = ( 0.0211623 0.0787447 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0282164 0.1049929 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0352705 0.1312410 -0.0000000), wk = 0.0034722 k( 7) = ( 0.0423246 0.1574893 -0.0000000), wk = 0.0034722 k( 8) = ( 0.0493788 0.1837375 -0.0000000), wk = 0.0034722 k( 9) = ( 0.0564329 0.2099857 -0.0000000), wk = 0.0034722 k( 10) = ( 0.0634870 0.2362339 -0.0000000), wk = 0.0034722 k( 11) = ( 0.0705411 0.2624821 -0.0000000), wk = 0.0034722 k( 12) = ( 0.0775952 0.2887304 -0.0000000), wk = 0.0034722 k( 13) = ( 0.0846493 0.3149786 -0.0000000), wk = 0.0034722 k( 14) = ( 0.0917034 0.3412268 -0.0000000), wk = 0.0034722 k( 15) = ( 0.0987575 0.3674750 -0.0000000), wk = 0.0034722 k( 16) = ( 0.1058116 0.3937232 -0.0000000), wk = 0.0034722 k( 17) = ( 0.1128657 0.4199714 -0.0000000), wk = 0.0034722 k( 18) = ( 0.1199198 0.4462196 -0.0000000), wk = 0.0034722 k( 19) = ( 0.1269740 0.4724678 -0.0000000), wk = 0.0034722 k( 20) = ( 0.1340281 0.4987161 -0.0000000), wk = 0.0034722 k( 21) = ( 0.1410822 0.5249643 -0.0000000), wk = 0.0034722 k( 22) = ( 0.1481363 0.5512125 -0.0000000), wk = 0.0034722 k( 23) = ( 0.1551904 0.5774607 -0.0000000), wk = 0.0034722 k( 24) = ( 0.1622445 0.6037089 -0.0000000), wk = 0.0034722 k( 25) = ( 0.1692986 0.6299571 -0.0000000), wk = 0.0034722 k( 26) = ( 0.1763527 0.6562053 -0.0000000), wk = 0.0034722 k( 27) = ( 0.1834068 0.6824535 -0.0000000), wk = 0.0034722 k( 28) = ( 0.1904609 0.7087018 -0.0000000), wk = 0.0034722 k( 29) = ( 0.1975150 0.7349500 -0.0000000), wk = 0.0034722 k( 30) = ( 0.2045692 0.7611982 -0.0000000), wk = 0.0034722 k( 31) = ( 0.2116233 0.7874464 -0.0000000), wk = 0.0034722 k( 32) = ( 0.2186774 0.8136946 -0.0000000), wk = 0.0034722 k( 33) = ( 0.2257315 0.8399428 -0.0000000), wk = 0.0034722 k( 34) = ( 0.2327856 0.8661910 -0.0000000), wk = 0.0034722 k( 35) = ( 0.2398397 0.8924392 -0.0000000), wk = 0.0034722 k( 36) = ( 0.2468938 0.9186875 -0.0000000), wk = 0.0034722 k( 37) = ( 0.2539479 0.9449357 -0.0000000), wk = 0.0034722 k( 38) = ( 0.2610020 0.9711839 -0.0000000), wk = 0.0034722 k( 39) = ( 0.2680561 0.9974321 -0.0000000), wk = 0.0034722 k( 40) = ( 0.2680561 0.9974321 -0.0000000), wk = 0.0034722 k( 41) = ( 0.2412505 0.9974321 -0.0000000), wk = 0.0034722 k( 42) = ( 0.2144449 0.9974321 -0.0000000), wk = 0.0034722 k( 43) = ( 0.1876393 0.9974321 -0.0000000), wk = 0.0034722 k( 44) = ( 0.1608337 0.9974321 -0.0000000), wk = 0.0034722 k( 45) = ( 0.1340281 0.9974321 -0.0000000), wk = 0.0034722 k( 46) = ( 0.1072224 0.9974321 -0.0000000), wk = 0.0034722 k( 47) = ( 0.0804168 0.9974321 -0.0000000), wk = 0.0034722 k( 48) = ( 0.0536112 0.9974321 -0.0000000), wk = 0.0034722 k( 49) = ( 0.0268056 0.9974321 -0.0000000), wk = 0.0034722 k( 50) = ( 0.0000000 0.9974321 -0.0000000), wk = 0.0034722 k( 51) = ( 0.0000000 0.9974321 -0.0000000), wk = 0.0034722 k( 52) = ( 0.0000000 0.9974321 0.0260464), wk = 0.0034722 k( 53) = ( 0.0000000 0.9974321 0.0520929), wk = 0.0034722 k( 54) = ( 0.0000000 0.9974321 0.0781393), wk = 0.0034722 k( 55) = ( 0.0000000 0.9974321 0.1041858), wk = 0.0034722 k( 56) = ( 0.0000000 0.9974321 0.1302322), wk = 0.0034722 k( 57) = ( 0.0000000 0.9974321 0.1562787), wk = 0.0034722 k( 58) = ( 0.0000000 0.9974321 0.1823251), wk = 0.0034722 k( 59) = ( 0.0000000 0.9974321 0.2083715), wk = 0.0034722 k( 60) = ( 0.0000000 0.9974321 0.2344180), wk = 0.0034722 k( 61) = ( 0.0000000 0.9974321 0.2604644), wk = 0.0034722 k( 62) = ( 0.0000000 0.9974321 0.2865109), wk = 0.0034722 k( 63) = ( 0.0000000 0.9974321 0.3125573), wk = 0.0034722 k( 64) = ( 0.0000000 0.9974321 0.3386037), wk = 0.0034722 k( 65) = ( 0.0000000 0.9974321 0.3646502), wk = 0.0034722 k( 66) = ( 0.0000000 0.9974321 0.3906966), wk = 0.0034722 k( 67) = ( 0.0000000 0.9974321 0.4167431), wk = 0.0034722 k( 68) = ( 0.0000000 0.9974321 0.4427895), wk = 0.0034722 k( 69) = ( 0.0000000 0.9974321 0.4688359), wk = 0.0034722 k( 70) = ( 0.0000000 0.9974321 0.4948824), wk = 0.0034722 k( 71) = ( 0.0000000 0.9974321 0.4948824), wk = 0.0034722 k( 72) = ( 0.0268056 0.9974321 0.4948824), wk = 0.0034722 k( 73) = ( 0.0536112 0.9974321 0.4948824), wk = 0.0034722 k( 74) = ( 0.0804168 0.9974321 0.4948824), wk = 0.0034722 k( 75) = ( 0.1072224 0.9974321 0.4948824), wk = 0.0034722 k( 76) = ( 0.1340281 0.9974321 0.4948824), wk = 0.0034722 k( 77) = ( 0.1608337 0.9974321 0.4948824), wk = 0.0034722 k( 78) = ( 0.1876393 0.9974321 0.4948824), wk = 0.0034722 k( 79) = ( 0.2144449 0.9974321 0.4948824), wk = 0.0034722 k( 80) = ( 0.2412505 0.9974321 0.4948824), wk = 0.0034722 k( 81) = ( 0.2680561 0.9974321 0.4948824), wk = 0.0034722 k( 82) = ( 0.2680561 0.9974321 0.4948824), wk = 0.0034722 k( 83) = ( 0.2610020 0.9711839 0.4948824), wk = 0.0034722 k( 84) = ( 0.2539479 0.9449357 0.4948824), wk = 0.0034722 k( 85) = ( 0.2468938 0.9186875 0.4948824), wk = 0.0034722 k( 86) = ( 0.2398397 0.8924392 0.4948824), wk = 0.0034722 k( 87) = ( 0.2327856 0.8661910 0.4948824), wk = 0.0034722 k( 88) = ( 0.2257315 0.8399428 0.4948824), wk = 0.0034722 k( 89) = ( 0.2186774 0.8136946 0.4948824), wk = 0.0034722 k( 90) = ( 0.2116233 0.7874464 0.4948824), wk = 0.0034722 k( 91) = ( 0.2045692 0.7611982 0.4948824), wk = 0.0034722 k( 92) = ( 0.1975150 0.7349500 0.4948824), wk = 0.0034722 k( 93) = ( 0.1904609 0.7087018 0.4948824), wk = 0.0034722 k( 94) = ( 0.1834068 0.6824535 0.4948824), wk = 0.0034722 k( 95) = ( 0.1763527 0.6562053 0.4948824), wk = 0.0034722 k( 96) = ( 0.1692986 0.6299571 0.4948824), wk = 0.0034722 k( 97) = ( 0.1622445 0.6037089 0.4948824), wk = 0.0034722 k( 98) = ( 0.1551904 0.5774607 0.4948824), wk = 0.0034722 k( 99) = ( 0.1481363 0.5512125 0.4948824), wk = 0.0034722 k( 100) = ( 0.1410822 0.5249643 0.4948824), wk = 0.0034722 k( 101) = ( 0.1340281 0.4987161 0.4948824), wk = 0.0034722 k( 102) = ( 0.1269740 0.4724678 0.4948824), wk = 0.0034722 k( 103) = ( 0.1199198 0.4462196 0.4948824), wk = 0.0034722 k( 104) = ( 0.1128657 0.4199714 0.4948824), wk = 0.0034722 k( 105) = ( 0.1058116 0.3937232 0.4948824), wk = 0.0034722 k( 106) = ( 0.0987575 0.3674750 0.4948824), wk = 0.0034722 k( 107) = ( 0.0917034 0.3412268 0.4948824), wk = 0.0034722 k( 108) = ( 0.0846493 0.3149786 0.4948824), wk = 0.0034722 k( 109) = ( 0.0775952 0.2887304 0.4948824), wk = 0.0034722 k( 110) = ( 0.0705411 0.2624821 0.4948824), wk = 0.0034722 k( 111) = ( 0.0634870 0.2362339 0.4948824), wk = 0.0034722 k( 112) = ( 0.0564329 0.2099857 0.4948824), wk = 0.0034722 k( 113) = ( 0.0493788 0.1837375 0.4948824), wk = 0.0034722 k( 114) = ( 0.0423246 0.1574893 0.4948824), wk = 0.0034722 k( 115) = ( 0.0352705 0.1312410 0.4948824), wk = 0.0034722 k( 116) = ( 0.0282164 0.1049929 0.4948824), wk = 0.0034722 k( 117) = ( 0.0211623 0.0787447 0.4948824), wk = 0.0034722 k( 118) = ( 0.0141082 0.0524964 0.4948824), wk = 0.0034722 k( 119) = ( 0.0070541 0.0262482 0.4948824), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.4948824), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.4948824), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.4688359), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.4427895), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.4167431), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.3906966), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.3646502), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.3386037), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.3125573), wk = 0.0034722 k( 129) = ( 0.0000000 0.0000000 0.2865109), wk = 0.0034722 k( 130) = ( 0.0000000 0.0000000 0.2604644), wk = 0.0034722 k( 131) = ( 0.0000000 0.0000000 0.2344180), wk = 0.0034722 k( 132) = ( 0.0000000 0.0000000 0.2083715), wk = 0.0034722 k( 133) = ( 0.0000000 0.0000000 0.1823251), wk = 0.0034722 k( 134) = ( 0.0000000 0.0000000 0.1562787), wk = 0.0034722 k( 135) = ( 0.0000000 0.0000000 0.1302322), wk = 0.0034722 k( 136) = ( 0.0000000 0.0000000 0.1041858), wk = 0.0034722 k( 137) = ( 0.0000000 0.0000000 0.0781393), wk = 0.0034722 k( 138) = ( 0.0000000 0.0000000 0.0520929), wk = 0.0034722 k( 139) = ( 0.0000000 0.0000000 0.0260464), wk = 0.0034722 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 142) = ( -0.0263158 0.0070723 -0.0000000), wk = 0.0034722 k( 143) = ( -0.0526316 0.0141445 -0.0000000), wk = 0.0034722 k( 144) = ( -0.0789474 0.0212168 -0.0000000), wk = 0.0034722 k( 145) = ( -0.1052632 0.0282891 -0.0000000), wk = 0.0034722 k( 146) = ( -0.1315790 0.0353613 -0.0000000), wk = 0.0034722 k( 147) = ( -0.1578947 0.0424336 -0.0000000), wk = 0.0034722 k( 148) = ( -0.1842105 0.0495059 -0.0000000), wk = 0.0034722 k( 149) = ( -0.2105263 0.0565782 -0.0000000), wk = 0.0034722 k( 150) = ( -0.2368421 0.0636504 -0.0000000), wk = 0.0034722 k( 151) = ( -0.2631579 0.0707227 -0.0000000), wk = 0.0034722 k( 152) = ( -0.2894737 0.0777950 -0.0000000), wk = 0.0034722 k( 153) = ( -0.3157895 0.0848672 -0.0000000), wk = 0.0034722 k( 154) = ( -0.3421053 0.0919395 -0.0000000), wk = 0.0034722 k( 155) = ( -0.3684211 0.0990118 -0.0000000), wk = 0.0034722 k( 156) = ( -0.3947368 0.1060840 -0.0000000), wk = 0.0034722 k( 157) = ( -0.4210526 0.1131563 -0.0000000), wk = 0.0034722 k( 158) = ( -0.4473684 0.1202286 -0.0000000), wk = 0.0034722 k( 159) = ( -0.4736842 0.1273009 -0.0000000), wk = 0.0034722 k( 160) = ( -0.5000000 0.1343731 -0.0000000), wk = 0.0034722 k( 161) = ( -0.5000000 0.1343731 -0.0000000), wk = 0.0034722 k( 162) = ( -0.4929714 0.1605264 -0.0000000), wk = 0.0034722 k( 163) = ( -0.4859428 0.1866797 -0.0000000), wk = 0.0034722 k( 164) = ( -0.4789142 0.2128330 -0.0000000), wk = 0.0034722 k( 165) = ( -0.4718856 0.2389863 -0.0000000), wk = 0.0034722 k( 166) = ( -0.4648570 0.2651396 -0.0000000), wk = 0.0034722 k( 167) = ( -0.4578284 0.2912929 -0.0000000), wk = 0.0034722 k( 168) = ( -0.4507998 0.3174462 -0.0000000), wk = 0.0034722 k( 169) = ( -0.4437712 0.3435996 -0.0000000), wk = 0.0034722 k( 170) = ( -0.4367426 0.3697529 -0.0000000), wk = 0.0034722 k( 171) = ( -0.4297140 0.3959062 -0.0000000), wk = 0.0034722 k( 172) = ( -0.4226854 0.4220594 -0.0000000), wk = 0.0034722 k( 173) = ( -0.4156568 0.4482127 -0.0000000), wk = 0.0034722 k( 174) = ( -0.4086282 0.4743660 -0.0000000), wk = 0.0034722 k( 175) = ( -0.4015996 0.5005194 -0.0000000), wk = 0.0034722 k( 176) = ( -0.3945710 0.5266727 -0.0000000), wk = 0.0034722 k( 177) = ( -0.3875424 0.5528260 -0.0000000), wk = 0.0034722 k( 178) = ( -0.3805138 0.5789793 -0.0000000), wk = 0.0034722 k( 179) = ( -0.3734852 0.6051325 -0.0000000), wk = 0.0034722 k( 180) = ( -0.3664566 0.6312859 -0.0000000), wk = 0.0034722 k( 181) = ( -0.3594280 0.6574392 -0.0000000), wk = 0.0034722 k( 182) = ( -0.3523994 0.6835925 -0.0000000), wk = 0.0034722 k( 183) = ( -0.3453708 0.7097458 -0.0000000), wk = 0.0034722 k( 184) = ( -0.3383422 0.7358991 -0.0000000), wk = 0.0034722 k( 185) = ( -0.3313136 0.7620524 -0.0000000), wk = 0.0034722 k( 186) = ( -0.3242850 0.7882057 -0.0000000), wk = 0.0034722 k( 187) = ( -0.3172564 0.8143590 -0.0000000), wk = 0.0034722 k( 188) = ( -0.3102278 0.8405123 -0.0000000), wk = 0.0034722 k( 189) = ( -0.3031991 0.8666656 -0.0000000), wk = 0.0034722 k( 190) = ( -0.2961705 0.8928189 -0.0000000), wk = 0.0034722 k( 191) = ( -0.2891419 0.9189722 -0.0000000), wk = 0.0034722 k( 192) = ( -0.2821133 0.9451255 -0.0000000), wk = 0.0034722 k( 193) = ( -0.2750847 0.9712788 -0.0000000), wk = 0.0034722 k( 194) = ( -0.2680561 0.9974321 -0.0000000), wk = 0.0034722 k( 195) = ( -0.2680561 0.9974321 -0.0000000), wk = 0.0034722 k( 196) = ( -0.2680561 0.9974321 0.0260464), wk = 0.0034722 k( 197) = ( -0.2680561 0.9974321 0.0520929), wk = 0.0034722 k( 198) = ( -0.2680561 0.9974321 0.0781393), wk = 0.0034722 k( 199) = ( -0.2680561 0.9974321 0.1041858), wk = 0.0034722 k( 200) = ( -0.2680561 0.9974321 0.1302322), wk = 0.0034722 k( 201) = ( -0.2680561 0.9974321 0.1562787), wk = 0.0034722 k( 202) = ( -0.2680561 0.9974321 0.1823251), wk = 0.0034722 k( 203) = ( -0.2680561 0.9974321 0.2083715), wk = 0.0034722 k( 204) = ( -0.2680561 0.9974321 0.2344180), wk = 0.0034722 k( 205) = ( -0.2680561 0.9974321 0.2604644), wk = 0.0034722 k( 206) = ( -0.2680561 0.9974321 0.2865109), wk = 0.0034722 k( 207) = ( -0.2680561 0.9974321 0.3125573), wk = 0.0034722 k( 208) = ( -0.2680561 0.9974321 0.3386037), wk = 0.0034722 k( 209) = ( -0.2680561 0.9974321 0.3646502), wk = 0.0034722 k( 210) = ( -0.2680561 0.9974321 0.3906966), wk = 0.0034722 k( 211) = ( -0.2680561 0.9974321 0.4167431), wk = 0.0034722 k( 212) = ( -0.2680561 0.9974321 0.4427895), wk = 0.0034722 k( 213) = ( -0.2680561 0.9974321 0.4688359), wk = 0.0034722 k( 214) = ( -0.2680561 0.9974321 0.4948824), wk = 0.0034722 k( 215) = ( -0.2680561 0.9974321 0.4948824), wk = 0.0034722 k( 216) = ( -0.2750847 0.9712788 0.4948824), wk = 0.0034722 k( 217) = ( -0.2821133 0.9451255 0.4948824), wk = 0.0034722 k( 218) = ( -0.2891419 0.9189722 0.4948824), wk = 0.0034722 k( 219) = ( -0.2961705 0.8928189 0.4948824), wk = 0.0034722 k( 220) = ( -0.3031991 0.8666656 0.4948824), wk = 0.0034722 k( 221) = ( -0.3102278 0.8405123 0.4948824), wk = 0.0034722 k( 222) = ( -0.3172564 0.8143590 0.4948824), wk = 0.0034722 k( 223) = ( -0.3242850 0.7882057 0.4948824), wk = 0.0034722 k( 224) = ( -0.3313136 0.7620524 0.4948824), wk = 0.0034722 k( 225) = ( -0.3383422 0.7358991 0.4948824), wk = 0.0034722 k( 226) = ( -0.3453708 0.7097458 0.4948824), wk = 0.0034722 k( 227) = ( -0.3523994 0.6835925 0.4948824), wk = 0.0034722 k( 228) = ( -0.3594280 0.6574392 0.4948824), wk = 0.0034722 k( 229) = ( -0.3664566 0.6312859 0.4948824), wk = 0.0034722 k( 230) = ( -0.3734852 0.6051325 0.4948824), wk = 0.0034722 k( 231) = ( -0.3805138 0.5789793 0.4948824), wk = 0.0034722 k( 232) = ( -0.3875424 0.5528260 0.4948824), wk = 0.0034722 k( 233) = ( -0.3945710 0.5266727 0.4948824), wk = 0.0034722 k( 234) = ( -0.4015996 0.5005194 0.4948824), wk = 0.0034722 k( 235) = ( -0.4086282 0.4743660 0.4948824), wk = 0.0034722 k( 236) = ( -0.4156568 0.4482127 0.4948824), wk = 0.0034722 k( 237) = ( -0.4226854 0.4220594 0.4948824), wk = 0.0034722 k( 238) = ( -0.4297140 0.3959062 0.4948824), wk = 0.0034722 k( 239) = ( -0.4367426 0.3697529 0.4948824), wk = 0.0034722 k( 240) = ( -0.4437712 0.3435996 0.4948824), wk = 0.0034722 k( 241) = ( -0.4507998 0.3174462 0.4948824), wk = 0.0034722 k( 242) = ( -0.4578284 0.2912929 0.4948824), wk = 0.0034722 k( 243) = ( -0.4648570 0.2651396 0.4948824), wk = 0.0034722 k( 244) = ( -0.4718856 0.2389863 0.4948824), wk = 0.0034722 k( 245) = ( -0.4789142 0.2128330 0.4948824), wk = 0.0034722 k( 246) = ( -0.4859428 0.1866797 0.4948824), wk = 0.0034722 k( 247) = ( -0.4929714 0.1605264 0.4948824), wk = 0.0034722 k( 248) = ( -0.5000000 0.1343731 0.4948824), wk = 0.0034722 k( 249) = ( -0.5000000 0.1343731 0.4948824), wk = 0.0034722 k( 250) = ( -0.5000000 0.1343731 0.4688359), wk = 0.0034722 k( 251) = ( -0.5000000 0.1343731 0.4427895), wk = 0.0034722 k( 252) = ( -0.5000000 0.1343731 0.4167431), wk = 0.0034722 k( 253) = ( -0.5000000 0.1343731 0.3906966), wk = 0.0034722 k( 254) = ( -0.5000000 0.1343731 0.3646502), wk = 0.0034722 k( 255) = ( -0.5000000 0.1343731 0.3386037), wk = 0.0034722 k( 256) = ( -0.5000000 0.1343731 0.3125573), wk = 0.0034722 k( 257) = ( -0.5000000 0.1343731 0.2865109), wk = 0.0034722 k( 258) = ( -0.5000000 0.1343731 0.2604644), wk = 0.0034722 k( 259) = ( -0.5000000 0.1343731 0.2344180), wk = 0.0034722 k( 260) = ( -0.5000000 0.1343731 0.2083715), wk = 0.0034722 k( 261) = ( -0.5000000 0.1343731 0.1823251), wk = 0.0034722 k( 262) = ( -0.5000000 0.1343731 0.1562787), wk = 0.0034722 k( 263) = ( -0.5000000 0.1343731 0.1302322), wk = 0.0034722 k( 264) = ( -0.5000000 0.1343731 0.1041858), wk = 0.0034722 k( 265) = ( -0.5000000 0.1343731 0.0781393), wk = 0.0034722 k( 266) = ( -0.5000000 0.1343731 0.0520929), wk = 0.0034722 k( 267) = ( -0.5000000 0.1343731 0.0260464), wk = 0.0034722 k( 268) = ( -0.5000000 0.1343731 -0.0000000), wk = 0.0034722 k( 269) = ( 0.0000000 0.0000000 0.4948824), wk = 0.0034722 k( 270) = ( -0.0263158 0.0070723 0.4948824), wk = 0.0034722 k( 271) = ( -0.0526316 0.0141445 0.4948824), wk = 0.0034722 k( 272) = ( -0.0789474 0.0212168 0.4948824), wk = 0.0034722 k( 273) = ( -0.1052632 0.0282891 0.4948824), wk = 0.0034722 k( 274) = ( -0.1315790 0.0353613 0.4948824), wk = 0.0034722 k( 275) = ( -0.1578947 0.0424336 0.4948824), wk = 0.0034722 k( 276) = ( -0.1842105 0.0495059 0.4948824), wk = 0.0034722 k( 277) = ( -0.2105263 0.0565782 0.4948824), wk = 0.0034722 k( 278) = ( -0.2368421 0.0636504 0.4948824), wk = 0.0034722 k( 279) = ( -0.2631579 0.0707227 0.4948824), wk = 0.0034722 k( 280) = ( -0.2894737 0.0777950 0.4948824), wk = 0.0034722 k( 281) = ( -0.3157895 0.0848672 0.4948824), wk = 0.0034722 k( 282) = ( -0.3421053 0.0919395 0.4948824), wk = 0.0034722 k( 283) = ( -0.3684211 0.0990118 0.4948824), wk = 0.0034722 k( 284) = ( -0.3947368 0.1060840 0.4948824), wk = 0.0034722 k( 285) = ( -0.4210526 0.1131563 0.4948824), wk = 0.0034722 k( 286) = ( -0.4473684 0.1202286 0.4948824), wk = 0.0034722 k( 287) = ( -0.4736842 0.1273009 0.4948824), wk = 0.0034722 k( 288) = ( -0.5000000 0.1343731 0.4948824), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0070541 0.0070541 0.0000000), wk = 0.0034722 k( 3) = ( 0.0141082 0.0141082 0.0000000), wk = 0.0034722 k( 4) = ( 0.0211623 0.0211623 0.0000000), wk = 0.0034722 k( 5) = ( 0.0282164 0.0282164 0.0000000), wk = 0.0034722 k( 6) = ( 0.0352705 0.0352705 0.0000000), wk = 0.0034722 k( 7) = ( 0.0423246 0.0423246 -0.0000000), wk = 0.0034722 k( 8) = ( 0.0493788 0.0493788 0.0000000), wk = 0.0034722 k( 9) = ( 0.0564329 0.0564329 0.0000000), wk = 0.0034722 k( 10) = ( 0.0634870 0.0634870 0.0000000), wk = 0.0034722 k( 11) = ( 0.0705411 0.0705411 -0.0000000), wk = 0.0034722 k( 12) = ( 0.0775952 0.0775952 -0.0000000), wk = 0.0034722 k( 13) = ( 0.0846493 0.0846493 -0.0000000), wk = 0.0034722 k( 14) = ( 0.0917034 0.0917034 0.0000000), wk = 0.0034722 k( 15) = ( 0.0987575 0.0987575 0.0000000), wk = 0.0034722 k( 16) = ( 0.1058116 0.1058116 -0.0000000), wk = 0.0034722 k( 17) = ( 0.1128657 0.1128657 0.0000000), wk = 0.0034722 k( 18) = ( 0.1199198 0.1199198 -0.0000000), wk = 0.0034722 k( 19) = ( 0.1269740 0.1269740 0.0000000), wk = 0.0034722 k( 20) = ( 0.1340281 0.1340281 0.0000000), wk = 0.0034722 k( 21) = ( 0.1410822 0.1410822 -0.0000000), wk = 0.0034722 k( 22) = ( 0.1481363 0.1481363 -0.0000000), wk = 0.0034722 k( 23) = ( 0.1551904 0.1551904 -0.0000000), wk = 0.0034722 k( 24) = ( 0.1622445 0.1622445 -0.0000000), wk = 0.0034722 k( 25) = ( 0.1692986 0.1692986 0.0000000), wk = 0.0034722 k( 26) = ( 0.1763527 0.1763527 0.0000000), wk = 0.0034722 k( 27) = ( 0.1834068 0.1834068 0.0000000), wk = 0.0034722 k( 28) = ( 0.1904609 0.1904609 0.0000000), wk = 0.0034722 k( 29) = ( 0.1975150 0.1975150 0.0000000), wk = 0.0034722 k( 30) = ( 0.2045692 0.2045692 0.0000000), wk = 0.0034722 k( 31) = ( 0.2116233 0.2116233 0.0000000), wk = 0.0034722 k( 32) = ( 0.2186774 0.2186774 -0.0000000), wk = 0.0034722 k( 33) = ( 0.2257315 0.2257315 0.0000000), wk = 0.0034722 k( 34) = ( 0.2327856 0.2327856 -0.0000000), wk = 0.0034722 k( 35) = ( 0.2398397 0.2398397 -0.0000000), wk = 0.0034722 k( 36) = ( 0.2468938 0.2468938 0.0000000), wk = 0.0034722 k( 37) = ( 0.2539479 0.2539479 0.0000000), wk = 0.0034722 k( 38) = ( 0.2610020 0.2610020 0.0000000), wk = 0.0034722 k( 39) = ( 0.2680561 0.2680561 0.0000000), wk = 0.0034722 k( 40) = ( 0.2680561 0.2680561 0.0000000), wk = 0.0034722 k( 41) = ( 0.2412505 0.2912505 0.0000000), wk = 0.0034722 k( 42) = ( 0.2144449 0.3144449 -0.0000000), wk = 0.0034722 k( 43) = ( 0.1876393 0.3376393 0.0000000), wk = 0.0034722 k( 44) = ( 0.1608337 0.3608337 0.0000000), wk = 0.0034722 k( 45) = ( 0.1340281 0.3840281 -0.0000000), wk = 0.0034722 k( 46) = ( 0.1072224 0.4072225 -0.0000000), wk = 0.0034722 k( 47) = ( 0.0804168 0.4304168 -0.0000000), wk = 0.0034722 k( 48) = ( 0.0536112 0.4536112 0.0000000), wk = 0.0034722 k( 49) = ( 0.0268056 0.4768056 0.0000000), wk = 0.0034722 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034722 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034722 k( 52) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0034722 k( 53) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0034722 k( 54) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0034722 k( 55) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0034722 k( 56) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0034722 k( 57) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0034722 k( 58) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0034722 k( 59) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0034722 k( 60) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0034722 k( 61) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0034722 k( 62) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0034722 k( 63) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0034722 k( 64) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0034722 k( 65) = ( 0.0000000 0.5000000 0.3684210), wk = 0.0034722 k( 66) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0034722 k( 67) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0034722 k( 68) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0034722 k( 69) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0034722 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034722 k( 71) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034722 k( 72) = ( 0.0268056 0.4768056 0.5000000), wk = 0.0034722 k( 73) = ( 0.0536112 0.4536112 0.5000000), wk = 0.0034722 k( 74) = ( 0.0804168 0.4304168 0.5000000), wk = 0.0034722 k( 75) = ( 0.1072224 0.4072225 0.5000000), wk = 0.0034722 k( 76) = ( 0.1340281 0.3840281 0.5000000), wk = 0.0034722 k( 77) = ( 0.1608337 0.3608337 0.5000000), wk = 0.0034722 k( 78) = ( 0.1876393 0.3376393 0.5000000), wk = 0.0034722 k( 79) = ( 0.2144449 0.3144449 0.5000000), wk = 0.0034722 k( 80) = ( 0.2412505 0.2912505 0.5000000), wk = 0.0034722 k( 81) = ( 0.2680561 0.2680561 0.5000000), wk = 0.0034722 k( 82) = ( 0.2680561 0.2680561 0.5000000), wk = 0.0034722 k( 83) = ( 0.2610020 0.2610020 0.5000000), wk = 0.0034722 k( 84) = ( 0.2539479 0.2539479 0.5000000), wk = 0.0034722 k( 85) = ( 0.2468938 0.2468938 0.5000000), wk = 0.0034722 k( 86) = ( 0.2398397 0.2398397 0.5000000), wk = 0.0034722 k( 87) = ( 0.2327856 0.2327856 0.5000000), wk = 0.0034722 k( 88) = ( 0.2257315 0.2257315 0.5000000), wk = 0.0034722 k( 89) = ( 0.2186774 0.2186774 0.5000000), wk = 0.0034722 k( 90) = ( 0.2116233 0.2116233 0.5000000), wk = 0.0034722 k( 91) = ( 0.2045692 0.2045692 0.5000000), wk = 0.0034722 k( 92) = ( 0.1975150 0.1975150 0.5000000), wk = 0.0034722 k( 93) = ( 0.1904609 0.1904609 0.5000000), wk = 0.0034722 k( 94) = ( 0.1834068 0.1834068 0.5000000), wk = 0.0034722 k( 95) = ( 0.1763527 0.1763527 0.5000000), wk = 0.0034722 k( 96) = ( 0.1692986 0.1692986 0.5000000), wk = 0.0034722 k( 97) = ( 0.1622445 0.1622445 0.5000000), wk = 0.0034722 k( 98) = ( 0.1551904 0.1551904 0.5000000), wk = 0.0034722 k( 99) = ( 0.1481363 0.1481363 0.5000000), wk = 0.0034722 k( 100) = ( 0.1410822 0.1410822 0.5000000), wk = 0.0034722 k( 101) = ( 0.1340281 0.1340281 0.5000000), wk = 0.0034722 k( 102) = ( 0.1269740 0.1269740 0.5000000), wk = 0.0034722 k( 103) = ( 0.1199198 0.1199198 0.5000000), wk = 0.0034722 k( 104) = ( 0.1128657 0.1128657 0.5000000), wk = 0.0034722 k( 105) = ( 0.1058116 0.1058116 0.5000000), wk = 0.0034722 k( 106) = ( 0.0987575 0.0987575 0.5000000), wk = 0.0034722 k( 107) = ( 0.0917034 0.0917034 0.5000000), wk = 0.0034722 k( 108) = ( 0.0846493 0.0846493 0.5000000), wk = 0.0034722 k( 109) = ( 0.0775952 0.0775952 0.5000000), wk = 0.0034722 k( 110) = ( 0.0705411 0.0705411 0.5000000), wk = 0.0034722 k( 111) = ( 0.0634870 0.0634870 0.5000000), wk = 0.0034722 k( 112) = ( 0.0564329 0.0564329 0.5000000), wk = 0.0034722 k( 113) = ( 0.0493788 0.0493788 0.5000000), wk = 0.0034722 k( 114) = ( 0.0423246 0.0423246 0.5000000), wk = 0.0034722 k( 115) = ( 0.0352705 0.0352705 0.5000000), wk = 0.0034722 k( 116) = ( 0.0282164 0.0282164 0.5000000), wk = 0.0034722 k( 117) = ( 0.0211623 0.0211623 0.5000000), wk = 0.0034722 k( 118) = ( 0.0141082 0.0141082 0.5000000), wk = 0.0034722 k( 119) = ( 0.0070541 0.0070541 0.5000000), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0034722 k( 129) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0034722 k( 130) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0034722 k( 131) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0034722 k( 132) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0034722 k( 133) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0034722 k( 134) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0034722 k( 135) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0034722 k( 136) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0034722 k( 137) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0034722 k( 138) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0034722 k( 139) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0034722 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 142) = ( -0.0263158 0.0263158 -0.0000000), wk = 0.0034722 k( 143) = ( -0.0526316 0.0526316 -0.0000000), wk = 0.0034722 k( 144) = ( -0.0789474 0.0789474 0.0000000), wk = 0.0034722 k( 145) = ( -0.1052632 0.1052632 -0.0000000), wk = 0.0034722 k( 146) = ( -0.1315790 0.1315790 -0.0000000), wk = 0.0034722 k( 147) = ( -0.1578947 0.1578947 0.0000000), wk = 0.0034722 k( 148) = ( -0.1842105 0.1842105 -0.0000000), wk = 0.0034722 k( 149) = ( -0.2105263 0.2105263 -0.0000000), wk = 0.0034722 k( 150) = ( -0.2368421 0.2368421 -0.0000000), wk = 0.0034722 k( 151) = ( -0.2631579 0.2631579 -0.0000000), wk = 0.0034722 k( 152) = ( -0.2894737 0.2894737 -0.0000000), wk = 0.0034722 k( 153) = ( -0.3157895 0.3157895 -0.0000000), wk = 0.0034722 k( 154) = ( -0.3421053 0.3421053 -0.0000000), wk = 0.0034722 k( 155) = ( -0.3684211 0.3684210 -0.0000000), wk = 0.0034722 k( 156) = ( -0.3947368 0.3947368 0.0000000), wk = 0.0034722 k( 157) = ( -0.4210526 0.4210526 -0.0000000), wk = 0.0034722 k( 158) = ( -0.4473684 0.4473684 -0.0000000), wk = 0.0034722 k( 159) = ( -0.4736842 0.4736842 -0.0000000), wk = 0.0034722 k( 160) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 161) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 162) = ( -0.4929714 0.5070286 -0.0000000), wk = 0.0034722 k( 163) = ( -0.4859428 0.5140572 0.0000000), wk = 0.0034722 k( 164) = ( -0.4789142 0.5210858 0.0000000), wk = 0.0034722 k( 165) = ( -0.4718856 0.5281144 -0.0000000), wk = 0.0034722 k( 166) = ( -0.4648570 0.5351430 -0.0000000), wk = 0.0034722 k( 167) = ( -0.4578284 0.5421716 -0.0000000), wk = 0.0034722 k( 168) = ( -0.4507998 0.5492002 -0.0000000), wk = 0.0034722 k( 169) = ( -0.4437712 0.5562288 -0.0000000), wk = 0.0034722 k( 170) = ( -0.4367426 0.5632574 0.0000000), wk = 0.0034722 k( 171) = ( -0.4297140 0.5702860 -0.0000000), wk = 0.0034722 k( 172) = ( -0.4226854 0.5773146 -0.0000000), wk = 0.0034722 k( 173) = ( -0.4156568 0.5843432 -0.0000000), wk = 0.0034722 k( 174) = ( -0.4086282 0.5913718 -0.0000000), wk = 0.0034722 k( 175) = ( -0.4015996 0.5984004 -0.0000000), wk = 0.0034722 k( 176) = ( -0.3945710 0.6054290 0.0000000), wk = 0.0034722 k( 177) = ( -0.3875424 0.6124576 0.0000000), wk = 0.0034722 k( 178) = ( -0.3805138 0.6194862 -0.0000000), wk = 0.0034722 k( 179) = ( -0.3734852 0.6265148 -0.0000000), wk = 0.0034722 k( 180) = ( -0.3664566 0.6335434 0.0000000), wk = 0.0034722 k( 181) = ( -0.3594280 0.6405720 0.0000000), wk = 0.0034722 k( 182) = ( -0.3523994 0.6476006 0.0000000), wk = 0.0034722 k( 183) = ( -0.3453708 0.6546292 0.0000000), wk = 0.0034722 k( 184) = ( -0.3383422 0.6616578 -0.0000000), wk = 0.0034722 k( 185) = ( -0.3313136 0.6686865 -0.0000000), wk = 0.0034722 k( 186) = ( -0.3242850 0.6757150 -0.0000000), wk = 0.0034722 k( 187) = ( -0.3172564 0.6827437 -0.0000000), wk = 0.0034722 k( 188) = ( -0.3102278 0.6897722 -0.0000000), wk = 0.0034722 k( 189) = ( -0.3031991 0.6968009 0.0000000), wk = 0.0034722 k( 190) = ( -0.2961705 0.7038295 0.0000000), wk = 0.0034722 k( 191) = ( -0.2891419 0.7108581 -0.0000000), wk = 0.0034722 k( 192) = ( -0.2821133 0.7178867 0.0000000), wk = 0.0034722 k( 193) = ( -0.2750847 0.7249153 -0.0000000), wk = 0.0034722 k( 194) = ( -0.2680561 0.7319439 0.0000000), wk = 0.0034722 k( 195) = ( -0.2680561 0.7319439 0.0000000), wk = 0.0034722 k( 196) = ( -0.2680561 0.7319439 0.0263158), wk = 0.0034722 k( 197) = ( -0.2680561 0.7319439 0.0526316), wk = 0.0034722 k( 198) = ( -0.2680561 0.7319439 0.0789474), wk = 0.0034722 k( 199) = ( -0.2680561 0.7319439 0.1052632), wk = 0.0034722 k( 200) = ( -0.2680561 0.7319439 0.1315790), wk = 0.0034722 k( 201) = ( -0.2680561 0.7319439 0.1578947), wk = 0.0034722 k( 202) = ( -0.2680561 0.7319439 0.1842105), wk = 0.0034722 k( 203) = ( -0.2680561 0.7319439 0.2105263), wk = 0.0034722 k( 204) = ( -0.2680561 0.7319439 0.2368421), wk = 0.0034722 k( 205) = ( -0.2680561 0.7319439 0.2631579), wk = 0.0034722 k( 206) = ( -0.2680561 0.7319439 0.2894737), wk = 0.0034722 k( 207) = ( -0.2680561 0.7319439 0.3157895), wk = 0.0034722 k( 208) = ( -0.2680561 0.7319439 0.3421053), wk = 0.0034722 k( 209) = ( -0.2680561 0.7319439 0.3684211), wk = 0.0034722 k( 210) = ( -0.2680561 0.7319439 0.3947368), wk = 0.0034722 k( 211) = ( -0.2680561 0.7319439 0.4210526), wk = 0.0034722 k( 212) = ( -0.2680561 0.7319439 0.4473684), wk = 0.0034722 k( 213) = ( -0.2680561 0.7319439 0.4736842), wk = 0.0034722 k( 214) = ( -0.2680561 0.7319439 0.5000000), wk = 0.0034722 k( 215) = ( -0.2680561 0.7319439 0.5000000), wk = 0.0034722 k( 216) = ( -0.2750847 0.7249153 0.5000000), wk = 0.0034722 k( 217) = ( -0.2821133 0.7178867 0.5000000), wk = 0.0034722 k( 218) = ( -0.2891419 0.7108581 0.5000000), wk = 0.0034722 k( 219) = ( -0.2961705 0.7038295 0.5000000), wk = 0.0034722 k( 220) = ( -0.3031991 0.6968009 0.5000000), wk = 0.0034722 k( 221) = ( -0.3102278 0.6897722 0.5000000), wk = 0.0034722 k( 222) = ( -0.3172564 0.6827437 0.5000000), wk = 0.0034722 k( 223) = ( -0.3242850 0.6757150 0.5000000), wk = 0.0034722 k( 224) = ( -0.3313136 0.6686865 0.5000000), wk = 0.0034722 k( 225) = ( -0.3383422 0.6616578 0.5000000), wk = 0.0034722 k( 226) = ( -0.3453708 0.6546292 0.5000000), wk = 0.0034722 k( 227) = ( -0.3523994 0.6476006 0.5000000), wk = 0.0034722 k( 228) = ( -0.3594280 0.6405720 0.5000000), wk = 0.0034722 k( 229) = ( -0.3664566 0.6335434 0.5000000), wk = 0.0034722 k( 230) = ( -0.3734852 0.6265148 0.5000000), wk = 0.0034722 k( 231) = ( -0.3805138 0.6194862 0.5000000), wk = 0.0034722 k( 232) = ( -0.3875424 0.6124576 0.5000000), wk = 0.0034722 k( 233) = ( -0.3945710 0.6054290 0.5000000), wk = 0.0034722 k( 234) = ( -0.4015996 0.5984004 0.5000000), wk = 0.0034722 k( 235) = ( -0.4086282 0.5913718 0.5000000), wk = 0.0034722 k( 236) = ( -0.4156568 0.5843432 0.5000000), wk = 0.0034722 k( 237) = ( -0.4226854 0.5773146 0.5000000), wk = 0.0034722 k( 238) = ( -0.4297140 0.5702860 0.5000000), wk = 0.0034722 k( 239) = ( -0.4367426 0.5632574 0.5000000), wk = 0.0034722 k( 240) = ( -0.4437712 0.5562288 0.5000000), wk = 0.0034722 k( 241) = ( -0.4507998 0.5492002 0.5000000), wk = 0.0034722 k( 242) = ( -0.4578284 0.5421716 0.5000000), wk = 0.0034722 k( 243) = ( -0.4648570 0.5351430 0.5000000), wk = 0.0034722 k( 244) = ( -0.4718856 0.5281144 0.5000000), wk = 0.0034722 k( 245) = ( -0.4789142 0.5210858 0.5000000), wk = 0.0034722 k( 246) = ( -0.4859428 0.5140572 0.5000000), wk = 0.0034722 k( 247) = ( -0.4929714 0.5070286 0.5000000), wk = 0.0034722 k( 248) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 249) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 250) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0034722 k( 251) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0034722 k( 252) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0034722 k( 253) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0034722 k( 254) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0034722 k( 255) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0034722 k( 256) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0034722 k( 257) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0034722 k( 258) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0034722 k( 259) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0034722 k( 260) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0034722 k( 261) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0034722 k( 262) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0034722 k( 263) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0034722 k( 264) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0034722 k( 265) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0034722 k( 266) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0034722 k( 267) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0034722 k( 268) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 270) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0034722 k( 271) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0034722 k( 272) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0034722 k( 273) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0034722 k( 274) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0034722 k( 275) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0034722 k( 276) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0034722 k( 277) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0034722 k( 278) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0034722 k( 279) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0034722 k( 280) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0034722 k( 281) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0034722 k( 282) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0034722 k( 283) = ( -0.3684211 0.3684210 0.5000000), wk = 0.0034722 k( 284) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0034722 k( 285) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0034722 k( 286) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0034722 k( 287) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0034722 k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034722 Dense grid: 141347 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 104907 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 380, 36) NL pseudopotentials 0.16 Mb ( 190, 56) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.01 Mb ( 1962) G-vector shells 0.01 Mb ( 961) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 380, 144) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.06 Mb ( 56, 2, 36) The potential is recalculated from file : ./Br.save/charge-density.dat negative rho (up, down): 1.125E-06 0.000E+00 Starting wfc are 32 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 12.3 secs Computing kpt #: 16 total cpu time spent up to now is 13.2 secs Computing kpt #: 17 total cpu time spent up to now is 14.1 secs Computing kpt #: 18 total cpu time spent up to now is 15.0 secs Computing kpt #: 19 total cpu time spent up to now is 15.9 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.8 secs Computing kpt #: 22 total cpu time spent up to now is 19.1 secs Computing kpt #: 23 total cpu time spent up to now is 20.1 secs Computing kpt #: 24 total cpu time spent up to now is 21.1 secs Computing kpt #: 25 total cpu time spent up to now is 22.2 secs Computing kpt #: 26 total cpu time spent up to now is 23.2 secs Computing kpt #: 27 total cpu time spent up to now is 24.2 secs Computing kpt #: 28 total cpu time spent up to now is 25.2 secs Computing kpt #: 29 total cpu time spent up to now is 26.2 secs Computing kpt #: 30 total cpu time spent up to now is 27.2 secs Computing kpt #: 31 total cpu time spent up to now is 28.1 secs Computing kpt #: 32 total cpu time spent up to now is 29.4 secs Computing kpt #: 33 total cpu time spent up to now is 30.5 secs Computing kpt #: 34 total cpu time spent up to now is 31.6 secs Computing kpt #: 35 total cpu time spent up to now is 32.6 secs Computing kpt #: 36 total cpu time spent up to now is 33.6 secs Computing kpt #: 37 total cpu time spent up to now is 34.6 secs Computing kpt #: 38 total cpu time spent up to now is 35.8 secs Computing kpt #: 39 total cpu time spent up to now is 37.3 secs Computing kpt #: 40 total cpu time spent up to now is 38.5 secs Computing kpt #: 41 total cpu time spent up to now is 39.9 secs Computing kpt #: 42 total cpu time spent up to now is 41.0 secs Computing kpt #: 43 total cpu time spent up to now is 41.9 secs Computing kpt #: 44 total cpu time spent up to now is 42.9 secs Computing kpt #: 45 total cpu time spent up to now is 43.8 secs Computing kpt #: 46 total cpu time spent up to now is 44.8 secs Computing kpt #: 47 total cpu time spent up to now is 45.8 secs Computing kpt #: 48 total cpu time spent up to now is 46.8 secs Computing kpt #: 49 total cpu time spent up to now is 47.8 secs Computing kpt #: 50 total cpu time spent up to now is 48.7 secs Computing kpt #: 51 total cpu time spent up to now is 49.7 secs Computing kpt #: 52 total cpu time spent up to now is 50.6 secs Computing kpt #: 53 total cpu time spent up to now is 51.6 secs Computing kpt #: 54 total cpu time spent up to now is 52.6 secs Computing kpt #: 55 total cpu time spent up to now is 53.5 secs Computing kpt #: 56 total cpu time spent up to now is 54.5 secs Computing kpt #: 57 total cpu time spent up to now is 55.5 secs Computing kpt #: 58 total cpu time spent up to now is 56.5 secs Computing kpt #: 59 total cpu time spent up to now is 57.5 secs Computing kpt #: 60 total cpu time spent up to now is 58.4 secs Computing kpt #: 61 total cpu time spent up to now is 59.3 secs Computing kpt #: 62 total cpu time spent up to now is 60.3 secs Computing kpt #: 63 total cpu time spent up to now is 61.3 secs Computing kpt #: 64 total cpu time spent up to now is 62.3 secs Computing kpt #: 65 total cpu time spent up to now is 63.3 secs Computing kpt #: 66 total cpu time spent up to now is 64.3 secs Computing kpt #: 67 total cpu time spent up to now is 65.3 secs Computing kpt #: 68 total cpu time spent up to now is 66.3 secs Computing kpt #: 69 total cpu time spent up to now is 67.2 secs Computing kpt #: 70 total cpu time spent up to now is 68.2 secs Computing kpt #: 71 total cpu time spent up to now is 69.2 secs Computing kpt #: 72 total cpu time spent up to now is 70.1 secs Computing kpt #: 73 total cpu time spent up to now is 71.1 secs Computing kpt #: 74 total cpu time spent up to now is 72.1 secs Computing kpt #: 75 total cpu time spent up to now is 73.1 secs Computing kpt #: 76 total cpu time spent up to now is 74.2 secs Computing kpt #: 77 total cpu time spent up to now is 75.3 secs Computing kpt #: 78 total cpu time spent up to now is 76.3 secs Computing kpt #: 79 total cpu time spent up to now is 77.4 secs Computing kpt #: 80 total cpu time spent up to now is 78.4 secs Computing kpt #: 81 total cpu time spent up to now is 79.5 secs Computing kpt #: 82 total cpu time spent up to now is 80.6 secs Computing kpt #: 83 total cpu time spent up to now is 81.7 secs Computing kpt #: 84 total cpu time spent up to now is 82.9 secs Computing kpt #: 85 total cpu time spent up to now is 84.3 secs Computing kpt #: 86 total cpu time spent up to now is 85.4 secs Computing kpt #: 87 total cpu time spent up to now is 86.4 secs Computing kpt #: 88 total cpu time spent up to now is 87.3 secs Computing kpt #: 89 total cpu time spent up to now is 88.3 secs Computing kpt #: 90 total cpu time spent up to now is 89.1 secs Computing kpt #: 91 total cpu time spent up to now is 90.0 secs Computing kpt #: 92 total cpu time spent up to now is 90.9 secs Computing kpt #: 93 total cpu time spent up to now is 91.6 secs Computing kpt #: 94 total cpu time spent up to now is 92.4 secs Computing kpt #: 95 total cpu time spent up to now is 93.2 secs Computing kpt #: 96 total cpu time spent up to now is 94.0 secs Computing kpt #: 97 total cpu time spent up to now is 94.7 secs Computing kpt #: 98 total cpu time spent up to now is 95.4 secs Computing kpt #: 99 total cpu time spent up to now is 96.2 secs Computing kpt #: 100 total cpu time spent up to now is 96.9 secs Computing kpt #: 101 total cpu time spent up to now is 97.6 secs Computing kpt #: 102 total cpu time spent up to now is 98.3 secs Computing kpt #: 103 total cpu time spent up to now is 98.9 secs Computing kpt #: 104 total cpu time spent up to now is 99.7 secs Computing kpt #: 105 total cpu time spent up to now is 100.4 secs Computing kpt #: 106 total cpu time spent up to now is 101.1 secs Computing kpt #: 107 total cpu time spent up to now is 101.9 secs Computing kpt #: 108 total cpu time spent up to now is 102.5 secs Computing kpt #: 109 total cpu time spent up to now is 103.2 secs Computing kpt #: 110 total cpu time spent up to now is 103.9 secs Computing kpt #: 111 total cpu time spent up to now is 104.7 secs Computing kpt #: 112 total cpu time spent up to now is 105.4 secs Computing kpt #: 113 total cpu time spent up to now is 106.1 secs Computing kpt #: 114 total cpu time spent up to now is 106.8 secs Computing kpt #: 115 total cpu time spent up to now is 107.6 secs Computing kpt #: 116 total cpu time spent up to now is 108.3 secs Computing kpt #: 117 total cpu time spent up to now is 109.0 secs Computing kpt #: 118 total cpu time spent up to now is 109.7 secs Computing kpt #: 119 total cpu time spent up to now is 110.4 secs Computing kpt #: 120 total cpu time spent up to now is 111.1 secs Computing kpt #: 121 total cpu time spent up to now is 111.8 secs Computing kpt #: 122 total cpu time spent up to now is 112.5 secs Computing kpt #: 123 total cpu time spent up to now is 113.1 secs Computing kpt #: 124 total cpu time 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to now is 125.1 secs Computing kpt #: 140 total cpu time spent up to now is 125.9 secs Computing kpt #: 141 total cpu time spent up to now is 126.7 secs Computing kpt #: 142 total cpu time spent up to now is 127.4 secs Computing kpt #: 143 total cpu time spent up to now is 128.3 secs Computing kpt #: 144 total cpu time spent up to now is 129.1 secs Computing kpt #: 145 total cpu time spent up to now is 130.0 secs Computing kpt #: 146 total cpu time spent up to now is 130.9 secs Computing kpt #: 147 total cpu time spent up to now is 131.9 secs Computing kpt #: 148 total cpu time spent up to now is 132.7 secs Computing kpt #: 149 total cpu time spent up to now is 133.6 secs Computing kpt #: 150 total cpu time spent up to now is 134.5 secs Computing kpt #: 151 total cpu time spent up to now is 135.7 secs Computing kpt #: 152 total cpu time spent up to now is 137.0 secs Computing kpt #: 153 total cpu time spent up to now is 138.0 secs Computing kpt #: 154 total cpu time spent up to now is 139.0 secs Computing kpt #: 155 total cpu time spent up to now is 139.9 secs Computing kpt #: 156 total cpu time spent up to now is 140.9 secs Computing kpt #: 157 total cpu time spent up to now is 141.8 secs Computing kpt #: 158 total cpu time spent up to now is 142.7 secs Computing kpt #: 159 total cpu time spent up to now is 143.6 secs Computing kpt #: 160 total cpu time spent up to now is 144.5 secs Computing kpt #: 161 total cpu time spent up to now is 145.6 secs Computing kpt #: 162 total cpu time spent up to now is 146.5 secs Computing kpt #: 163 total cpu time spent up to now is 147.3 secs Computing kpt #: 164 total cpu time spent up to now is 148.2 secs Computing kpt #: 165 total cpu time spent up to now is 149.2 secs Computing kpt #: 166 total cpu time spent up to now is 150.0 secs Computing kpt #: 167 total cpu time spent up to now is 151.0 secs Computing kpt #: 168 total cpu time spent up to now is 151.9 secs Computing kpt #: 169 total cpu time spent up to now is 152.8 secs Computing kpt #: 170 total cpu time spent up to now is 153.8 secs Computing kpt #: 171 total cpu time spent up to now is 154.6 secs Computing kpt #: 172 total cpu time spent up to now is 155.6 secs Computing kpt #: 173 total cpu time spent up to now is 156.5 secs Computing kpt #: 174 total cpu time spent up to now is 157.5 secs Computing kpt #: 175 total cpu time spent up to now is 158.4 secs Computing kpt #: 176 total cpu time spent up to now is 159.3 secs Computing kpt #: 177 total cpu time spent up to now is 160.2 secs Computing kpt #: 178 total cpu time spent up to now is 161.1 secs Computing kpt #: 179 total cpu time spent up to now is 162.0 secs Computing kpt #: 180 total cpu time spent up to now is 162.9 secs Computing kpt #: 181 total cpu time spent up to now is 163.8 secs Computing kpt #: 182 total cpu time spent up to now is 164.7 secs Computing kpt #: 183 total cpu time spent up to now is 165.6 secs Computing kpt #: 184 total cpu time spent up to now is 166.5 secs Computing kpt #: 185 total cpu time spent up to now is 167.4 secs Computing kpt #: 186 total cpu time spent up to now is 168.4 secs Computing kpt #: 187 total cpu time spent up to now is 169.3 secs Computing kpt #: 188 total cpu time spent up to now is 170.3 secs Computing kpt #: 189 total cpu time spent up to now is 171.2 secs Computing kpt #: 190 total cpu time spent up to now is 172.3 secs Computing kpt #: 191 total cpu time spent up to now is 174.3 secs Computing kpt #: 192 total cpu time spent up to now is 175.6 secs Computing kpt #: 193 total cpu time spent up to now is 177.0 secs Computing kpt #: 194 total cpu time spent up to now is 178.3 secs Computing kpt #: 195 total cpu time spent up to now is 179.6 secs Computing kpt #: 196 total cpu time spent up to now is 181.0 secs Computing kpt #: 197 total cpu time spent up to now is 182.7 secs Computing kpt #: 198 total cpu time spent up to now is 183.7 secs Computing kpt #: 199 total cpu time spent up to now is 185.0 secs Computing kpt #: 200 total cpu time spent up to now is 186.7 secs Computing kpt #: 201 total cpu time spent up to now is 188.0 secs Computing kpt #: 202 total cpu time spent up to now is 189.6 secs Computing kpt #: 203 total cpu time spent up to now is 191.0 secs Computing kpt #: 204 total cpu time spent up to now is 192.5 secs Computing kpt #: 205 total cpu time spent up to now is 193.9 secs Computing kpt #: 206 total cpu time spent up to now is 195.3 secs Computing kpt #: 207 total cpu time spent up to now is 196.7 secs Computing kpt #: 208 total cpu time spent up to now is 198.1 secs Computing kpt #: 209 total cpu time spent up to now is 199.4 secs Computing kpt #: 210 total cpu time spent up to now is 200.5 secs Computing kpt #: 211 total cpu time spent up to now is 201.8 secs Computing kpt #: 212 total cpu time spent up to now is 202.9 secs Computing kpt #: 213 total cpu time spent up to now is 204.0 secs Computing kpt #: 214 total cpu time spent up to now is 205.1 secs Computing kpt #: 215 total cpu time spent up to now is 206.1 secs Computing kpt #: 216 total cpu time spent up to now is 207.1 secs Computing kpt #: 217 total cpu time spent up to now is 208.1 secs Computing kpt #: 218 total cpu time spent up to now is 209.0 secs Computing kpt #: 219 total cpu time spent up to now is 210.0 secs Computing kpt #: 220 total cpu time spent up to now is 211.0 secs Computing kpt #: 221 total cpu time spent up to now is 212.0 secs Computing kpt #: 222 total cpu time spent up to now is 213.0 secs Computing kpt #: 223 total cpu time spent up to now is 214.0 secs Computing kpt #: 224 total cpu time spent up to now is 215.1 secs Computing kpt #: 225 total cpu time spent up to now is 216.1 secs Computing kpt #: 226 total cpu time spent up to now is 217.1 secs Computing kpt #: 227 total cpu time spent up to now is 218.1 secs Computing kpt #: 228 total cpu time spent up to now is 219.0 secs Computing kpt #: 229 total cpu time spent up to now is 220.0 secs Computing kpt #: 230 total cpu time spent up to now is 220.9 secs Computing kpt #: 231 total cpu time spent up to now is 222.0 secs Computing kpt #: 232 total cpu time spent up to now is 223.4 secs Computing kpt #: 233 total cpu time spent up to now is 224.4 secs Computing kpt #: 234 total cpu time spent up to now is 225.4 secs Computing kpt #: 235 total cpu time spent up to now is 226.5 secs Computing kpt #: 236 total cpu time spent up to now is 227.5 secs Computing kpt #: 237 total cpu time spent up to now is 228.4 secs Computing kpt #: 238 total cpu time spent up to now is 229.3 secs Computing kpt #: 239 total cpu time spent up to now is 230.2 secs Computing kpt #: 240 total cpu time spent up to now is 231.2 secs Computing kpt #: 241 total cpu time spent up to now is 232.2 secs Computing kpt #: 242 total cpu time spent up to now is 233.2 secs Computing kpt #: 243 total cpu time spent up to now is 234.1 secs Computing kpt #: 244 total cpu time spent up to now is 235.1 secs Computing kpt #: 245 total cpu time spent up to now is 236.0 secs Computing kpt #: 246 total cpu time spent up to now is 237.0 secs Computing kpt #: 247 total cpu time spent up to now is 237.9 secs Computing kpt #: 248 total cpu time spent up to now is 239.0 secs Computing kpt #: 249 total cpu time spent up to now is 239.9 secs Computing kpt #: 250 total cpu time spent up to now is 240.8 secs Computing kpt #: 251 total cpu time spent up to now is 241.7 secs Computing kpt #: 252 total cpu time spent up to now is 242.7 secs Computing kpt #: 253 total cpu time spent up to now is 243.6 secs Computing kpt #: 254 total cpu time spent up to now is 244.5 secs Computing kpt #: 255 total cpu time spent up to now is 245.4 secs Computing kpt #: 256 total cpu time spent up to now is 246.3 secs Computing kpt #: 257 total cpu time spent up to now is 247.2 secs Computing kpt #: 258 total cpu time spent up to now is 248.1 secs Computing kpt #: 259 total cpu time spent up to now is 248.9 secs Computing kpt #: 260 total cpu time spent up to now is 249.8 secs Computing kpt #: 261 total cpu time spent up to now is 250.7 secs Computing kpt #: 262 total cpu time spent up to now is 251.6 secs Computing kpt #: 263 total cpu time spent up to now is 252.5 secs Computing kpt #: 264 total cpu time spent up to now is 253.8 secs Computing kpt #: 265 total cpu time spent up to now is 254.7 secs Computing kpt #: 266 total cpu time spent up to now is 255.6 secs Computing kpt #: 267 total cpu time spent up to now is 256.5 secs Computing kpt #: 268 total cpu time spent up to now is 257.5 secs Computing kpt #: 269 total cpu time spent up to now is 258.2 secs Computing kpt #: 270 total cpu time spent up to now is 258.8 secs Computing kpt #: 271 total cpu time spent up to now is 259.5 secs Computing kpt #: 272 total cpu time spent up to now is 260.2 secs Computing kpt #: 273 total cpu time spent up to now is 260.9 secs Computing kpt #: 274 total cpu time spent up to now is 261.6 secs Computing kpt #: 275 total cpu time spent up to now is 262.3 secs Computing kpt #: 276 total cpu time spent up to now is 263.0 secs Computing kpt #: 277 total cpu time spent up to now is 263.7 secs Computing kpt #: 278 total cpu time spent up to now is 264.4 secs Computing kpt #: 279 total cpu time spent up to now is 265.1 secs Computing kpt #: 280 total cpu time spent up to now is 265.8 secs Computing kpt #: 281 total cpu time spent up to now is 266.7 secs Computing kpt #: 282 total cpu time spent up to now is 267.5 secs Computing kpt #: 283 total cpu time spent up to now is 268.3 secs Computing kpt #: 284 total cpu time spent up to now is 269.2 secs Computing kpt #: 285 total cpu time spent up to now is 270.0 secs Computing kpt #: 286 total cpu time spent up to now is 271.0 secs Computing kpt #: 287 total cpu time spent up to now is 271.9 secs Computing kpt #: 288 total cpu time spent up to now is 272.8 secs ethr = 3.57E-08, avg # of iterations = 26.7 total cpu time spent up to now is 272.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13139 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0920 -6.0920 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9578 -3.9578 -3.5667 -3.5667 -3.1530 -3.1530 -1.2759 -1.2759 -0.5560 -0.5560 2.0686 2.0686 3.5257 3.5257 k = 0.0071 0.0262-0.0000 ( 13135 PWs) bands (ev): -19.1823 -19.1823 -18.8770 -18.8770 -16.2741 -16.2741 -15.6089 -15.6089 -8.2160 -8.2160 -7.2763 -7.2763 -6.0916 -6.0916 -5.7789 -5.7789 -5.4694 -5.4694 -5.3888 -5.3888 -4.3132 -4.3132 -3.9571 -3.9571 -3.5654 -3.5654 -3.1535 -3.1535 -1.2760 -1.2760 -0.5566 -0.5566 2.0705 2.0705 3.5275 3.5275 k = 0.0141 0.0525-0.0000 ( 13133 PWs) bands (ev): -19.1815 -19.1815 -18.8770 -18.8770 -16.2734 -16.2734 -15.6104 -15.6104 -8.2163 -8.2163 -7.2790 -7.2790 -6.0905 -6.0905 -5.7825 -5.7825 -5.4745 -5.4745 -5.3924 -5.3924 -4.3062 -4.3062 -3.9550 -3.9550 -3.5618 -3.5618 -3.1549 -3.1549 -1.2765 -1.2765 -0.5583 -0.5583 2.0762 2.0762 3.5327 3.5327 k = 0.0212 0.0787-0.0000 ( 13133 PWs) bands (ev): -19.1801 -19.1801 -18.8770 -18.8770 -16.2723 -16.2723 -15.6128 -15.6128 -8.2168 -8.2168 -7.2836 -7.2836 -6.0886 -6.0886 -5.7886 -5.7886 -5.4826 -5.4826 -5.3982 -5.3982 -4.2950 -4.2950 -3.9515 -3.9515 -3.5559 -3.5559 -3.1573 -3.1573 -1.2772 -1.2772 -0.5610 -0.5610 2.0856 2.0856 3.5415 3.5415 k = 0.0282 0.1050-0.0000 ( 13153 PWs) bands (ev): -19.1781 -19.1781 -18.8770 -18.8770 -16.2708 -16.2708 -15.6162 -15.6162 -8.2175 -8.2175 -7.2900 -7.2900 -6.0859 -6.0859 -5.7970 -5.7970 -5.4933 -5.4933 -5.4058 -5.4058 -4.2801 -4.2801 -3.9467 -3.9467 -3.5481 -3.5481 -3.1606 -3.1606 -1.2777 -1.2777 -0.5647 -0.5647 2.0987 2.0987 3.5539 3.5539 k = 0.0353 0.1312-0.0000 ( 13155 PWs) bands (ev): -19.1756 -19.1756 -18.8769 -18.8769 -16.2688 -16.2688 -15.6205 -15.6205 -8.2184 -8.2184 -7.2982 -7.2982 -6.0826 -6.0826 -5.8078 -5.8078 -5.5061 -5.5061 -5.4148 -5.4148 -4.2623 -4.2623 -3.9407 -3.9407 -3.5389 -3.5389 -3.1649 -3.1649 -1.2779 -1.2779 -0.5692 -0.5692 2.1155 2.1155 3.5702 3.5702 k = 0.0423 0.1575-0.0000 ( 13151 PWs) bands (ev): -19.1725 -19.1725 -18.8770 -18.8770 -16.2664 -16.2664 -15.6257 -15.6257 -8.2194 -8.2194 -7.3084 -7.3084 -6.0785 -6.0785 -5.8208 -5.8208 -5.5205 -5.5205 -5.4247 -5.4247 -4.2423 -4.2423 -3.9336 -3.9336 -3.5287 -3.5287 -3.1700 -3.1700 -1.2774 -1.2774 -0.5741 -0.5741 2.1358 2.1358 3.5904 3.5904 k = 0.0494 0.1837-0.0000 ( 13159 PWs) bands (ev): -19.1689 -19.1689 -18.8770 -18.8770 -16.2635 -16.2635 -15.6318 -15.6318 -8.2207 -8.2207 -7.3205 -7.3205 -6.0739 -6.0739 -5.8357 -5.8357 -5.5360 -5.5360 -5.4350 -5.4350 -4.2211 -4.2211 -3.9254 -3.9254 -3.5182 -3.5182 -3.1760 -3.1760 -1.2756 -1.2756 -0.5794 -0.5794 2.1595 2.1595 3.6147 3.6147 k = 0.0564 0.2100-0.0000 ( 13149 PWs) bands (ev): -19.1649 -19.1649 -18.8770 -18.8770 -16.2602 -16.2602 -15.6388 -15.6388 -8.2220 -8.2220 -7.3345 -7.3345 -6.0686 -6.0686 -5.8523 -5.8523 -5.5523 -5.5523 -5.4451 -5.4451 -4.1992 -4.1992 -3.9163 -3.9163 -3.5079 -3.5079 -3.1828 -3.1828 -1.2723 -1.2723 -0.5847 -0.5847 2.1866 2.1866 3.6431 3.6431 k = 0.0635 0.2362-0.0000 ( 13141 PWs) bands (ev): -19.1603 -19.1603 -18.8772 -18.8772 -16.2565 -16.2565 -15.6466 -15.6466 -8.2234 -8.2234 -7.3505 -7.3505 -6.0629 -6.0629 -5.8700 -5.8700 -5.5691 -5.5691 -5.4548 -5.4548 -4.1775 -4.1775 -3.9064 -3.9064 -3.4984 -3.4984 -3.1905 -3.1905 -1.2669 -1.2669 -0.5897 -0.5897 2.2169 2.2169 3.6757 3.6757 k = 0.0705 0.2625-0.0000 ( 13145 PWs) bands (ev): -19.1552 -19.1552 -18.8773 -18.8773 -16.2523 -16.2523 -15.6552 -15.6552 -8.2250 -8.2250 -7.3684 -7.3684 -6.0567 -6.0567 -5.8885 -5.8885 -5.5860 -5.5860 -5.4637 -5.4637 -4.1564 -4.1564 -3.8957 -3.8957 -3.4905 -3.4905 -3.1990 -3.1990 -1.2591 -1.2591 -0.5942 -0.5942 2.2503 2.2503 3.7125 3.7125 k = 0.0776 0.2887-0.0000 ( 13141 PWs) bands (ev): -19.1497 -19.1497 -18.8776 -18.8776 -16.2478 -16.2478 -15.6646 -15.6646 -8.2266 -8.2266 -7.3883 -7.3883 -6.0503 -6.0503 -5.9070 -5.9070 -5.6028 -5.6028 -5.4716 -5.4716 -4.1365 -4.1365 -3.8846 -3.8846 -3.4844 -3.4844 -3.2083 -3.2083 -1.2485 -1.2485 -0.5980 -0.5980 2.2868 2.2868 3.7535 3.7535 k = 0.0846 0.3150-0.0000 ( 13131 PWs) bands (ev): -19.1437 -19.1437 -18.8779 -18.8779 -16.2427 -16.2427 -15.6747 -15.6747 -8.2281 -8.2281 -7.4100 -7.4100 -6.0437 -6.0437 -5.9251 -5.9251 -5.6193 -5.6193 -5.4787 -5.4787 -4.1180 -4.1180 -3.8733 -3.8733 -3.4807 -3.4807 -3.2183 -3.2183 -1.2347 -1.2347 -0.6008 -0.6008 2.3263 2.3263 3.7985 3.7985 k = 0.0917 0.3412-0.0000 ( 13135 PWs) bands (ev): -19.1374 -19.1374 -18.8784 -18.8784 -16.2373 -16.2373 -15.6855 -15.6855 -8.2297 -8.2297 -7.4336 -7.4336 -6.0373 -6.0373 -5.9423 -5.9423 -5.6351 -5.6351 -5.4848 -5.4848 -4.1010 -4.1010 -3.8620 -3.8620 -3.4796 -3.4796 -3.2292 -3.2292 -1.2177 -1.2177 -0.6024 -0.6024 2.3687 2.3687 3.8474 3.8474 k = 0.0988 0.3675-0.0000 ( 13133 PWs) bands (ev): -19.1306 -19.1306 -18.8790 -18.8790 -16.2315 -16.2315 -15.6970 -15.6970 -8.2311 -8.2311 -7.4590 -7.4590 -6.0314 -6.0314 -5.9577 -5.9577 -5.6500 -5.6500 -5.4902 -5.4902 -4.0857 -4.0857 -3.8511 -3.8511 -3.4812 -3.4812 -3.2409 -3.2409 -1.1972 -1.1972 -0.6027 -0.6027 2.4138 2.4138 3.9001 3.9001 k = 0.1058 0.3937-0.0000 ( 13139 PWs) bands (ev): -19.1235 -19.1235 -18.8797 -18.8797 -16.2252 -16.2252 -15.7091 -15.7091 -8.2324 -8.2324 -7.4859 -7.4859 -6.0267 -6.0267 -5.9706 -5.9706 -5.6636 -5.6636 -5.4949 -5.4949 -4.0719 -4.0719 -3.8408 -3.8408 -3.4857 -3.4857 -3.2534 -3.2534 -1.1734 -1.1734 -0.6016 -0.6016 2.4617 2.4617 3.9562 3.9562 k = 0.1129 0.4200-0.0000 ( 13117 PWs) bands (ev): -19.1161 -19.1161 -18.8806 -18.8806 -16.2185 -16.2185 -15.7217 -15.7217 -8.2334 -8.2334 -7.5143 -7.5143 -6.0244 -6.0244 -5.9797 -5.9797 -5.6758 -5.6758 -5.4991 -5.4991 -4.0598 -4.0598 -3.8314 -3.8314 -3.4928 -3.4928 -3.2667 -3.2667 -1.1464 -1.1464 -0.5991 -0.5991 2.5124 2.5124 4.0157 4.0157 k = 0.1199 0.4462-0.0000 ( 13113 PWs) bands (ev): -19.1084 -19.1084 -18.8817 -18.8817 -16.2114 -16.2114 -15.7349 -15.7349 -8.2342 -8.2342 -7.5440 -7.5440 -6.0257 -6.0257 -5.9837 -5.9837 -5.6863 -5.6863 -5.5029 -5.5029 -4.0490 -4.0490 -3.8231 -3.8231 -3.5024 -3.5024 -3.2808 -3.2808 -1.1163 -1.1163 -0.5951 -0.5951 2.5656 2.5656 4.0781 4.0781 k = 0.1270 0.4725-0.0000 ( 13119 PWs) bands (ev): -19.1004 -19.1004 -18.8831 -18.8831 -16.2038 -16.2038 -15.7484 -15.7484 -8.2345 -8.2345 -7.5748 -7.5748 -6.0301 -6.0301 -5.9833 -5.9833 -5.6949 -5.6949 -5.5064 -5.5064 -4.0397 -4.0397 -3.8162 -3.8162 -3.5142 -3.5142 -3.2956 -3.2956 -1.0836 -1.0836 -0.5897 -0.5897 2.6216 2.6216 4.1431 4.1431 k = 0.1340 0.4987-0.0000 ( 13111 PWs) bands (ev): -19.0922 -19.0922 -18.8846 -18.8846 -16.1959 -16.1959 -15.7625 -15.7625 -8.2344 -8.2344 -7.6065 -7.6065 -6.0355 -6.0355 -5.9805 -5.9805 -5.7015 -5.7015 -5.5097 -5.5097 -4.0315 -4.0315 -3.8107 -3.8107 -3.5276 -3.5276 -3.3111 -3.3111 -1.0486 -1.0486 -0.5832 -0.5832 2.6801 2.6801 4.2095 4.2095 k = 0.1411 0.5250-0.0000 ( 13111 PWs) bands (ev): -19.0838 -19.0838 -18.8864 -18.8864 -16.1876 -16.1876 -15.7768 -15.7768 -8.2337 -8.2337 -7.6389 -7.6389 -6.0405 -6.0405 -5.9770 -5.9770 -5.7060 -5.7060 -5.5131 -5.5131 -4.0246 -4.0246 -3.8069 -3.8069 -3.5423 -3.5423 -3.3271 -3.3271 -1.0118 -1.0118 -0.5755 -0.5755 2.7412 2.7412 4.2335 4.2335 k = 0.1481 0.5512-0.0000 ( 13105 PWs) bands (ev): -19.0752 -19.0752 -18.8884 -18.8884 -16.1788 -16.1788 -15.7915 -15.7915 -8.2323 -8.2323 -7.6719 -7.6719 -6.0445 -6.0445 -5.9735 -5.9735 -5.7084 -5.7084 -5.5165 -5.5165 -4.0187 -4.0187 -3.8048 -3.8048 -3.5576 -3.5576 -3.3437 -3.3437 -0.9736 -0.9736 -0.5671 -0.5671 2.8049 2.8049 4.2165 4.2165 k = 0.1552 0.5775-0.0000 ( 13089 PWs) bands (ev): -19.0665 -19.0665 -18.8907 -18.8907 -16.1697 -16.1697 -15.8064 -15.8064 -8.2302 -8.2302 -7.7050 -7.7050 -6.0471 -6.0471 -5.9706 -5.9706 -5.7087 -5.7087 -5.5200 -5.5200 -4.0138 -4.0138 -3.8046 -3.8046 -3.5728 -3.5728 -3.3606 -3.3606 -0.9345 -0.9345 -0.5580 -0.5580 2.8711 2.8711 4.1994 4.1994 k = 0.1622 0.6037-0.0000 ( 13097 PWs) bands (ev): -19.0577 -19.0577 -18.8934 -18.8934 -16.1601 -16.1601 -15.8216 -15.8216 -8.2273 -8.2273 -7.7383 -7.7383 -6.0483 -6.0483 -5.9683 -5.9683 -5.7071 -5.7071 -5.5237 -5.5237 -4.0097 -4.0097 -3.8066 -3.8066 -3.5872 -3.5872 -3.3777 -3.3777 -0.8951 -0.8951 -0.5486 -0.5486 2.9399 2.9399 4.1832 4.1832 k = 0.1693 0.6300-0.0000 ( 13089 PWs) bands (ev): -19.0489 -19.0489 -18.8963 -18.8963 -16.1502 -16.1502 -15.8369 -15.8369 -8.2234 -8.2234 -7.7713 -7.7713 -6.0482 -6.0482 -5.9667 -5.9667 -5.7037 -5.7037 -5.5278 -5.5278 -4.0063 -4.0063 -3.8108 -3.8108 -3.6000 -3.6000 -3.3950 -3.3950 -0.8557 -0.8557 -0.5393 -0.5393 3.0112 3.0112 4.1685 4.1685 k = 0.1764 0.6562-0.0000 ( 13095 PWs) bands (ev): -19.0400 -19.0400 -18.8996 -18.8996 -16.1399 -16.1399 -15.8523 -15.8523 -8.2185 -8.2185 -7.8041 -7.8041 -6.0469 -6.0469 -5.9659 -5.9659 -5.6987 -5.6987 -5.5321 -5.5321 -4.0035 -4.0035 -3.8176 -3.8176 -3.6105 -3.6105 -3.4124 -3.4124 -0.8170 -0.8170 -0.5303 -0.5303 3.0850 3.0850 4.1554 4.1554 k = 0.1834 0.6825-0.0000 ( 13099 PWs) bands (ev): -19.0312 -19.0312 -18.9032 -18.9032 -16.1292 -16.1292 -15.8678 -15.8678 -8.2125 -8.2125 -7.8363 -7.8363 -6.0444 -6.0444 -5.9659 -5.9659 -5.6924 -5.6924 -5.5369 -5.5369 -4.0010 -4.0010 -3.8268 -3.8268 -3.6183 -3.6183 -3.4297 -3.4297 -0.7792 -0.7792 -0.5219 -0.5219 3.1613 3.1613 4.1441 4.1441 k = 0.1905 0.7087-0.0000 ( 13103 PWs) bands (ev): -19.0224 -19.0224 -18.9071 -18.9071 -16.1180 -16.1180 -15.8833 -15.8833 -8.2053 -8.2053 -7.8678 -7.8678 -6.0410 -6.0410 -5.9665 -5.9665 -5.6849 -5.6849 -5.5421 -5.5421 -3.9987 -3.9987 -3.8382 -3.8382 -3.6231 -3.6231 -3.4469 -3.4469 -0.7429 -0.7429 -0.5145 -0.5145 3.2401 3.2401 4.1349 4.1349 k = 0.1975 0.7349-0.0000 ( 13107 PWs) bands (ev): -19.0136 -19.0136 -18.9114 -18.9114 -16.1066 -16.1066 -15.8988 -15.8988 -8.1968 -8.1968 -7.8985 -7.8985 -6.0368 -6.0368 -5.9678 -5.9678 -5.6766 -5.6766 -5.5478 -5.5478 -3.9963 -3.9963 -3.8514 -3.8514 -3.6250 -3.6250 -3.4638 -3.4638 -0.7083 -0.7083 -0.5085 -0.5085 3.3214 3.3214 4.1280 4.1280 k = 0.2046 0.7612-0.0000 ( 13117 PWs) bands (ev): -19.0051 -19.0051 -18.9161 -18.9161 -16.0947 -16.0947 -15.9142 -15.9142 -8.1870 -8.1870 -7.9281 -7.9281 -6.0319 -6.0319 -5.9698 -5.9698 -5.6675 -5.6675 -5.5540 -5.5540 -3.9936 -3.9936 -3.8658 -3.8658 -3.6242 -3.6242 -3.4804 -3.4804 -0.6758 -0.6758 -0.5040 -0.5040 3.4051 3.4051 4.1234 4.1234 k = 0.2116 0.7874-0.0000 ( 13129 PWs) bands (ev): -18.9966 -18.9966 -18.9211 -18.9211 -16.0825 -16.0825 -15.9296 -15.9296 -8.1758 -8.1758 -7.9567 -7.9567 -6.0266 -6.0266 -5.9723 -5.9723 -5.6580 -5.6580 -5.5606 -5.5606 -3.9903 -3.9903 -3.8809 -3.8809 -3.6210 -3.6210 -3.4966 -3.4966 -0.6457 -0.6457 -0.5014 -0.5014 3.4911 3.4911 4.1213 4.1213 k = 0.2187 0.8137-0.0000 ( 13127 PWs) bands (ev): -18.9883 -18.9883 -18.9264 -18.9264 -16.0699 -16.0699 -15.9448 -15.9448 -8.1632 -8.1632 -7.9840 -7.9840 -6.0209 -6.0209 -5.9754 -5.9754 -5.6483 -5.6483 -5.5678 -5.5678 -3.9861 -3.9861 -3.8960 -3.8960 -3.6157 -3.6157 -3.5124 -3.5124 -0.6181 -0.6181 -0.5010 -0.5010 3.5796 3.5796 4.1218 4.1218 k = 0.2257 0.8399-0.0000 ( 13115 PWs) bands (ev): -18.9803 -18.9803 -18.9322 -18.9322 -16.0570 -16.0570 -15.9599 -15.9599 -8.1490 -8.1490 -8.0100 -8.0100 -6.0150 -6.0150 -5.9790 -5.9790 -5.6384 -5.6384 -5.5755 -5.5755 -3.9810 -3.9810 -3.9107 -3.9107 -3.6086 -3.6086 -3.5275 -3.5275 -0.5933 -0.5933 -0.5030 -0.5030 3.6702 3.6702 4.0821 4.0821 k = 0.2328 0.8662-0.0000 ( 13107 PWs) bands (ev): -18.9724 -18.9724 -18.9382 -18.9382 -16.0437 -16.0437 -15.9747 -15.9747 -8.1333 -8.1333 -8.0346 -8.0346 -6.0091 -6.0091 -5.9832 -5.9832 -5.6284 -5.6284 -5.5836 -5.5836 -3.9747 -3.9747 -3.9246 -3.9246 -3.6000 -3.6000 -3.5421 -3.5421 -0.5715 -0.5715 -0.5075 -0.5075 3.7631 3.7631 4.0362 4.0362 k = 0.2398 0.8924-0.0000 ( 13106 PWs) bands (ev): -18.9649 -18.9649 -18.9446 -18.9446 -16.0301 -16.0301 -15.9894 -15.9894 -8.1161 -8.1161 -8.0578 -8.0578 -6.0033 -6.0033 -5.9878 -5.9878 -5.6187 -5.6187 -5.5922 -5.5922 -3.9671 -3.9671 -3.9374 -3.9374 -3.5901 -3.5901 -3.5559 -3.5559 -0.5526 -0.5526 -0.5148 -0.5148 3.8581 3.8581 3.9920 3.9920 k = 0.2469 0.9187-0.0000 ( 13108 PWs) bands (ev): -18.9576 -18.9576 -18.9513 -18.9513 -16.0163 -16.0163 -16.0038 -16.0038 -8.0973 -8.0973 -8.0795 -8.0795 -5.9977 -5.9977 -5.9929 -5.9929 -5.6091 -5.6091 -5.6012 -5.6012 -3.9581 -3.9581 -3.9490 -3.9490 -3.5790 -3.5790 -3.5689 -3.5689 -0.5367 -0.5367 -0.5250 -0.5250 3.9487 3.9487 3.9554 3.9554 k = 0.2539 0.9449-0.0000 ( 13114 PWs) bands (ev): -18.9584 -18.9584 -18.9505 -18.9505 -16.0179 -16.0179 -16.0021 -16.0021 -8.0996 -8.0996 -8.0770 -8.0770 -5.9983 -5.9983 -5.9923 -5.9923 -5.6106 -5.6106 -5.5998 -5.5998 -3.9593 -3.9593 -3.9476 -3.9476 -3.5810 -3.5810 -3.5668 -3.5668 -0.5382 -0.5382 -0.5239 -0.5239 3.9075 3.9075 4.0536 4.0536 k = 0.2610 0.9712-0.0000 ( 13120 PWs) bands (ev): -18.9658 -18.9658 -18.9438 -18.9438 -16.0318 -16.0318 -15.9876 -15.9876 -8.1182 -8.1182 -8.0551 -8.0551 -6.0040 -6.0040 -5.9873 -5.9873 -5.6202 -5.6202 -5.5909 -5.5909 -3.9681 -3.9681 -3.9359 -3.9359 -3.5920 -3.5920 -3.5537 -3.5537 -0.5544 -0.5544 -0.5140 -0.5140 3.8670 3.8670 4.1535 4.1535 k = 0.2681 0.9974-0.0000 ( 13112 PWs) bands (ev): -18.9734 -18.9734 -18.9375 -18.9375 -16.0453 -16.0453 -15.9730 -15.9730 -8.1352 -8.1352 -8.0318 -8.0318 -6.0098 -6.0098 -5.9828 -5.9828 -5.6301 -5.6301 -5.5824 -5.5824 -3.9756 -3.9756 -3.9229 -3.9229 -3.6018 -3.6018 -3.5398 -3.5398 -0.5737 -0.5737 -0.5070 -0.5070 3.8273 3.8273 4.2015 4.2015 k = 0.2681 0.9974-0.0000 ( 13112 PWs) bands (ev): -18.9734 -18.9734 -18.9375 -18.9375 -16.0453 -16.0453 -15.9730 -15.9730 -8.1352 -8.1352 -8.0318 -8.0318 -6.0098 -6.0098 -5.9828 -5.9828 -5.6301 -5.6301 -5.5824 -5.5824 -3.9756 -3.9756 -3.9229 -3.9229 -3.6018 -3.6018 -3.5398 -3.5398 -0.5737 -0.5737 -0.5070 -0.5070 3.8273 3.8273 4.2015 4.2015 k = 0.2413 0.9974-0.0000 ( 13113 PWs) bands (ev): -18.9714 -18.9714 -18.9391 -18.9391 -16.0419 -16.0419 -15.9767 -15.9767 -8.1310 -8.1310 -8.0379 -8.0379 -6.0083 -6.0083 -5.9839 -5.9839 -5.6276 -5.6276 -5.5845 -5.5845 -3.9738 -3.9738 -3.9263 -3.9263 -3.5994 -3.5994 -3.5435 -3.5435 -0.5684 -0.5684 -0.5085 -0.5085 3.8371 3.8371 4.1835 4.1835 k = 0.2144 0.9974-0.0000 ( 13117 PWs) bands (ev): -18.9694 -18.9694 -18.9407 -18.9407 -16.0384 -16.0384 -15.9805 -15.9805 -8.1267 -8.1267 -8.0439 -8.0439 -6.0068 -6.0068 -5.9850 -5.9850 -5.6250 -5.6250 -5.5867 -5.5867 -3.9720 -3.9720 -3.9297 -3.9297 -3.5969 -3.5969 -3.5471 -3.5471 -0.5634 -0.5634 -0.5102 -0.5102 3.8464 3.8464 4.1510 4.1510 k = 0.1876 0.9974-0.0000 ( 13114 PWs) bands (ev): -18.9675 -18.9675 -18.9423 -18.9423 -16.0349 -16.0349 -15.9843 -15.9843 -8.1223 -8.1223 -8.0498 -8.0498 -6.0053 -6.0053 -5.9862 -5.9862 -5.6225 -5.6225 -5.5889 -5.5889 -3.9700 -3.9700 -3.9330 -3.9330 -3.5943 -3.5943 -3.5506 -3.5506 -0.5586 -0.5586 -0.5121 -0.5121 3.8557 3.8557 4.1171 4.1171 k = 0.1608 0.9974-0.0000 ( 13109 PWs) bands (ev): -18.9656 -18.9656 -18.9440 -18.9440 -16.0314 -16.0314 -15.9880 -15.9880 -8.1178 -8.1178 -8.0557 -8.0557 -6.0038 -6.0038 -5.9874 -5.9874 -5.6200 -5.6200 -5.5911 -5.5911 -3.9679 -3.9679 -3.9362 -3.9362 -3.5916 -3.5916 -3.5541 -3.5541 -0.5540 -0.5540 -0.5142 -0.5142 3.8652 3.8652 4.0850 4.0850 k = 0.1340 0.9974-0.0000 ( 13117 PWs) bands (ev): -18.9637 -18.9637 -18.9457 -18.9457 -16.0279 -16.0279 -15.9917 -15.9917 -8.1132 -8.1132 -8.0614 -8.0614 -6.0024 -6.0024 -5.9887 -5.9887 -5.6175 -5.6175 -5.5934 -5.5934 -3.9658 -3.9658 -3.9393 -3.9393 -3.5889 -3.5889 -3.5575 -3.5575 -0.5496 -0.5496 -0.5164 -0.5164 3.8752 3.8752 4.0551 4.0551 k = 0.1072 0.9974-0.0000 ( 13118 PWs) bands (ev): -18.9618 -18.9618 -18.9474 -18.9474 -16.0244 -16.0244 -15.9954 -15.9954 -8.1084 -8.1084 -8.0670 -8.0670 -6.0009 -6.0009 -5.9899 -5.9899 -5.6150 -5.6150 -5.5957 -5.5957 -3.9636 -3.9636 -3.9424 -3.9424 -3.5861 -3.5861 -3.5609 -3.5609 -0.5454 -0.5454 -0.5189 -0.5189 3.8859 3.8859 4.0277 4.0277 k = 0.0804 0.9974-0.0000 ( 13114 PWs) bands (ev): -18.9599 -18.9599 -18.9491 -18.9491 -16.0208 -16.0208 -15.9991 -15.9991 -8.1036 -8.1036 -8.0725 -8.0725 -5.9995 -5.9995 -5.9912 -5.9912 -5.6125 -5.6125 -5.5980 -5.5980 -3.9612 -3.9612 -3.9453 -3.9453 -3.5832 -3.5832 -3.5643 -3.5643 -0.5414 -0.5414 -0.5215 -0.5215 3.8977 3.8977 4.0028 4.0028 k = 0.0536 0.9974-0.0000 ( 13100 PWs) bands (ev): -18.9581 -18.9581 -18.9508 -18.9508 -16.0173 -16.0173 -16.0027 -16.0027 -8.0987 -8.0987 -8.0780 -8.0780 -5.9981 -5.9981 -5.9925 -5.9925 -5.6100 -5.6100 -5.6003 -5.6003 -3.9588 -3.9588 -3.9482 -3.9482 -3.5802 -3.5802 -3.5676 -3.5676 -0.5376 -0.5376 -0.5243 -0.5243 3.9108 3.9108 3.9802 3.9802 k = 0.0268 0.9974-0.0000 ( 13111 PWs) bands (ev): -18.9563 -18.9563 -18.9525 -18.9525 -16.0137 -16.0137 -16.0064 -16.0064 -8.0937 -8.0937 -8.0833 -8.0833 -5.9967 -5.9967 -5.9938 -5.9938 -5.6076 -5.6076 -5.6027 -5.6027 -3.9563 -3.9563 -3.9510 -3.9510 -3.5772 -3.5772 -3.5708 -3.5708 -0.5340 -0.5340 -0.5274 -0.5274 3.9254 3.9254 3.9599 3.9599 k = 0.0000 0.9974-0.0000 ( 13104 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0105 -16.0105 -16.0096 -16.0096 -8.0888 -8.0888 -8.0882 -8.0882 -5.9956 -5.9956 -5.9949 -5.9949 -5.6056 -5.6056 -5.6047 -5.6047 -3.9540 -3.9540 -3.9533 -3.9533 -3.5744 -3.5744 -3.5736 -3.5736 -0.5308 -0.5308 -0.5303 -0.5303 3.9416 3.9416 3.9418 3.9418 k = 0.0000 0.9974-0.0000 ( 13104 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0105 -16.0105 -16.0096 -16.0096 -8.0888 -8.0888 -8.0882 -8.0882 -5.9956 -5.9956 -5.9949 -5.9949 -5.6056 -5.6056 -5.6047 -5.6047 -3.9540 -3.9540 -3.9533 -3.9533 -3.5744 -3.5744 -3.5736 -3.5736 -0.5308 -0.5308 -0.5303 -0.5303 3.9416 3.9416 3.9418 3.9418 k = 0.0000 0.9974 0.0260 ( 13122 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0105 -16.0105 -16.0096 -16.0096 -8.0879 -8.0879 -8.0873 -8.0873 -5.9986 -5.9986 -5.9979 -5.9979 -5.6062 -5.6062 -5.6053 -5.6053 -3.9506 -3.9506 -3.9499 -3.9499 -3.5734 -3.5734 -3.5727 -3.5727 -0.5329 -0.5329 -0.5323 -0.5323 3.9429 3.9429 3.9431 3.9431 k = 0.0000 0.9974 0.0521 ( 13118 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0106 -16.0106 -16.0096 -16.0096 -8.0851 -8.0851 -8.0845 -8.0845 -6.0076 -6.0076 -6.0069 -6.0069 -5.6080 -5.6080 -5.6071 -5.6071 -3.9405 -3.9405 -3.9398 -3.9398 -3.5704 -3.5704 -3.5696 -3.5696 -0.5389 -0.5389 -0.5384 -0.5384 3.9468 3.9468 3.9470 3.9470 k = 0.0000 0.9974 0.0781 ( 13112 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0106 -16.0106 -16.0096 -16.0096 -8.0805 -8.0805 -8.0799 -8.0799 -6.0224 -6.0224 -6.0217 -6.0217 -5.6106 -5.6106 -5.6097 -5.6097 -3.9245 -3.9245 -3.9239 -3.9239 -3.5651 -3.5651 -3.5644 -3.5644 -0.5488 -0.5488 -0.5483 -0.5483 3.9533 3.9533 3.9535 3.9535 k = 0.0000 0.9974 0.1042 ( 13100 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0107 -16.0107 -16.0097 -16.0097 -8.0741 -8.0741 -8.0735 -8.0735 -6.0425 -6.0425 -6.0418 -6.0418 -5.6139 -5.6139 -5.6130 -5.6130 -3.9038 -3.9038 -3.9032 -3.9032 -3.5572 -3.5572 -3.5565 -3.5565 -0.5625 -0.5625 -0.5619 -0.5619 3.9622 3.9622 3.9625 3.9625 k = 0.0000 0.9974 0.1302 ( 13096 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0108 -16.0108 -16.0098 -16.0098 -8.0661 -8.0661 -8.0655 -8.0655 -6.0674 -6.0674 -6.0667 -6.0667 -5.6175 -5.6175 -5.6166 -5.6166 -3.8799 -3.8799 -3.8792 -3.8792 -3.5461 -3.5461 -3.5454 -3.5454 -0.5796 -0.5796 -0.5791 -0.5791 3.9736 3.9736 3.9738 3.9738 k = 0.0000 0.9974 0.1563 ( 13110 PWs) bands (ev): -18.9550 -18.9550 -18.9538 -18.9538 -16.0109 -16.0109 -16.0099 -16.0099 -8.0567 -8.0567 -8.0561 -8.0561 -6.0964 -6.0964 -6.0957 -6.0957 -5.6211 -5.6211 -5.6202 -5.6202 -3.8545 -3.8545 -3.8538 -3.8538 -3.5311 -3.5311 -3.5304 -3.5304 -0.5998 -0.5998 -0.5993 -0.5993 3.9871 3.9871 3.9874 3.9874 k = 0.0000 0.9974 0.1823 ( 13098 PWs) bands (ev): -18.9549 -18.9549 -18.9538 -18.9538 -16.0110 -16.0110 -16.0100 -16.0100 -8.0459 -8.0459 -8.0453 -8.0453 -6.1286 -6.1286 -6.1279 -6.1279 -5.6245 -5.6245 -5.6236 -5.6236 -3.8295 -3.8295 -3.8288 -3.8288 -3.5117 -3.5117 -3.5110 -3.5110 -0.6228 -0.6228 -0.6222 -0.6222 4.0027 4.0027 4.0030 4.0030 k = 0.0000 0.9974 0.2084 ( 13090 PWs) bands (ev): -18.9549 -18.9549 -18.9537 -18.9537 -16.0111 -16.0111 -16.0101 -16.0101 -8.0341 -8.0341 -8.0335 -8.0335 -6.1631 -6.1631 -6.1623 -6.1623 -5.6276 -5.6276 -5.6267 -5.6267 -3.8064 -3.8064 -3.8057 -3.8057 -3.4875 -3.4875 -3.4868 -3.4868 -0.6479 -0.6479 -0.6473 -0.6473 4.0201 4.0201 4.0205 4.0205 k = 0.0000 0.9974 0.2344 ( 13092 PWs) bands (ev): -18.9549 -18.9549 -18.9537 -18.9537 -16.0112 -16.0112 -16.0103 -16.0103 -8.0215 -8.0215 -8.0208 -8.0208 -6.1988 -6.1988 -6.1981 -6.1981 -5.6303 -5.6303 -5.6294 -5.6294 -3.7864 -3.7864 -3.7856 -3.7856 -3.4587 -3.4587 -3.4580 -3.4580 -0.6747 -0.6747 -0.6741 -0.6741 4.0390 4.0390 4.0396 4.0396 k = 0.0000 0.9974 0.2605 ( 13092 PWs) bands (ev): -18.9549 -18.9549 -18.9537 -18.9537 -16.0114 -16.0114 -16.0104 -16.0104 -8.0083 -8.0083 -8.0076 -8.0076 -6.2349 -6.2349 -6.2341 -6.2341 -5.6327 -5.6327 -5.6318 -5.6318 -3.7697 -3.7697 -3.7690 -3.7690 -3.4260 -3.4260 -3.4253 -3.4253 -0.7026 -0.7026 -0.7019 -0.7019 4.0591 4.0591 4.0598 4.0598 k = 0.0000 0.9974 0.2865 ( 13094 PWs) bands (ev): -18.9549 -18.9549 -18.9537 -18.9537 -16.0115 -16.0115 -16.0105 -16.0105 -7.9950 -7.9950 -7.9943 -7.9943 -6.2703 -6.2703 -6.2695 -6.2695 -5.6347 -5.6347 -5.6338 -5.6338 -3.7565 -3.7565 -3.7557 -3.7557 -3.3908 -3.3908 -3.3901 -3.3901 -0.7307 -0.7307 -0.7300 -0.7300 4.0799 4.0799 4.0809 4.0809 k = 0.0000 0.9974 0.3126 ( 13086 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0116 -16.0116 -16.0106 -16.0106 -7.9819 -7.9819 -7.9811 -7.9811 -6.3042 -6.3042 -6.3034 -6.3034 -5.6363 -5.6363 -5.6354 -5.6354 -3.7461 -3.7461 -3.7454 -3.7454 -3.3548 -3.3548 -3.3540 -3.3540 -0.7583 -0.7583 -0.7576 -0.7576 4.1011 4.1011 4.1023 4.1023 k = 0.0000 0.9974 0.3386 ( 13082 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0117 -16.0117 -16.0108 -16.0108 -7.9693 -7.9693 -7.9686 -7.9686 -6.3356 -6.3356 -6.3348 -6.3348 -5.6377 -5.6377 -5.6368 -5.6368 -3.7382 -3.7382 -3.7374 -3.7374 -3.3195 -3.3195 -3.3187 -3.3187 -0.7846 -0.7846 -0.7839 -0.7839 4.1220 4.1220 4.1234 4.1234 k = 0.0000 0.9974 0.3647 ( 13082 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0118 -16.0118 -16.0109 -16.0109 -7.9577 -7.9577 -7.9570 -7.9570 -6.3638 -6.3638 -6.3629 -6.3629 -5.6388 -5.6388 -5.6379 -5.6379 -3.7323 -3.7323 -3.7315 -3.7315 -3.2865 -3.2865 -3.2858 -3.2858 -0.8088 -0.8088 -0.8081 -0.8081 4.1419 4.1419 4.1435 4.1435 k = 0.0000 0.9974 0.3907 ( 13080 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0119 -16.0119 -16.0109 -16.0109 -7.9476 -7.9476 -7.9468 -7.9468 -6.3879 -6.3879 -6.3871 -6.3871 -5.6397 -5.6397 -5.6388 -5.6388 -3.7279 -3.7279 -3.7271 -3.7271 -3.2575 -3.2575 -3.2567 -3.2567 -0.8300 -0.8300 -0.8293 -0.8293 4.1600 4.1600 4.1618 4.1618 k = 0.0000 0.9974 0.4167 ( 13068 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0120 -16.0120 -16.0110 -16.0110 -7.9392 -7.9392 -7.9384 -7.9384 -6.4075 -6.4075 -6.4066 -6.4066 -5.6403 -5.6403 -5.6394 -5.6394 -3.7247 -3.7247 -3.7239 -3.7239 -3.2335 -3.2335 -3.2327 -3.2327 -0.8475 -0.8475 -0.8467 -0.8467 4.1754 4.1754 4.1775 4.1775 k = 0.0000 0.9974 0.4428 ( 13074 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0120 -16.0120 -16.0111 -16.0111 -7.9329 -7.9329 -7.9321 -7.9321 -6.4219 -6.4219 -6.4210 -6.4210 -5.6408 -5.6408 -5.6399 -5.6399 -3.7226 -3.7226 -3.7218 -3.7218 -3.2155 -3.2155 -3.2148 -3.2148 -0.8605 -0.8605 -0.8597 -0.8597 4.1873 4.1873 4.1895 4.1895 k = 0.0000 0.9974 0.4688 ( 13074 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0120 -16.0120 -16.0111 -16.0111 -7.9291 -7.9291 -7.9282 -7.9282 -6.4306 -6.4306 -6.4298 -6.4298 -5.6410 -5.6410 -5.6401 -5.6401 -3.7214 -3.7214 -3.7206 -3.7206 -3.2045 -3.2045 -3.2037 -3.2037 -0.8685 -0.8685 -0.8678 -0.8678 4.1948 4.1948 4.1971 4.1971 k = 0.0000 0.9974 0.4949 ( 13076 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0121 -16.0121 -16.0111 -16.0111 -7.9278 -7.9278 -7.9269 -7.9269 -6.4336 -6.4336 -6.4327 -6.4327 -5.6411 -5.6411 -5.6402 -5.6402 -3.7210 -3.7210 -3.7202 -3.7202 -3.2007 -3.2007 -3.2000 -3.2000 -0.8712 -0.8712 -0.8705 -0.8705 4.1973 4.1973 4.1997 4.1997 k = 0.0000 0.9974 0.4949 ( 13076 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0121 -16.0121 -16.0111 -16.0111 -7.9278 -7.9278 -7.9269 -7.9269 -6.4336 -6.4336 -6.4327 -6.4327 -5.6411 -5.6411 -5.6402 -5.6402 -3.7210 -3.7210 -3.7202 -3.7202 -3.2007 -3.2007 -3.2000 -3.2000 -0.8712 -0.8712 -0.8705 -0.8705 4.1973 4.1973 4.1997 4.1997 k = 0.0268 0.9974 0.4949 ( 13068 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0120 -16.0120 -16.0111 -16.0111 -7.9278 -7.9278 -7.9269 -7.9269 -6.4335 -6.4335 -6.4326 -6.4326 -5.6411 -5.6411 -5.6402 -5.6402 -3.7210 -3.7210 -3.7202 -3.7202 -3.2008 -3.2008 -3.2001 -3.2001 -0.8712 -0.8712 -0.8704 -0.8704 4.1985 4.1985 4.2008 4.2008 k = 0.0536 0.9974 0.4949 ( 13062 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0120 -16.0120 -16.0111 -16.0111 -7.9278 -7.9278 -7.9269 -7.9269 -6.4331 -6.4331 -6.4322 -6.4322 -5.6412 -5.6412 -5.6403 -5.6403 -3.7210 -3.7210 -3.7202 -3.7202 -3.2011 -3.2011 -3.2003 -3.2003 -0.8710 -0.8710 -0.8703 -0.8703 4.2018 4.2018 4.2041 4.2041 k = 0.0804 0.9974 0.4949 ( 13076 PWs) bands (ev): -18.9549 -18.9549 -18.9537 -18.9537 -16.0120 -16.0120 -16.0110 -16.0110 -7.9278 -7.9278 -7.9269 -7.9269 -6.4325 -6.4325 -6.4316 -6.4316 -5.6413 -5.6413 -5.6404 -5.6404 -3.7210 -3.7210 -3.7202 -3.7202 -3.2016 -3.2016 -3.2008 -3.2008 -0.8708 -0.8708 -0.8701 -0.8701 4.2070 4.2070 4.2093 4.2093 k = 0.1072 0.9974 0.4949 ( 13064 PWs) bands (ev): -18.9549 -18.9549 -18.9538 -18.9538 -16.0119 -16.0119 -16.0109 -16.0109 -7.9278 -7.9278 -7.9269 -7.9269 -6.4317 -6.4317 -6.4308 -6.4308 -5.6415 -5.6415 -5.6406 -5.6406 -3.7210 -3.7210 -3.7202 -3.7202 -3.2023 -3.2023 -3.2015 -3.2015 -0.8706 -0.8706 -0.8698 -0.8698 4.2138 4.2138 4.2160 4.2160 k = 0.1340 0.9974 0.4949 ( 13056 PWs) bands (ev): -18.9550 -18.9550 -18.9539 -18.9539 -16.0118 -16.0118 -16.0108 -16.0108 -7.9278 -7.9278 -7.9269 -7.9269 -6.4306 -6.4306 -6.4297 -6.4297 -5.6417 -5.6417 -5.6407 -5.6407 -3.7210 -3.7210 -3.7201 -3.7201 -3.2032 -3.2032 -3.2024 -3.2024 -0.8702 -0.8702 -0.8694 -0.8694 4.2214 4.2214 4.2234 4.2234 k = 0.1608 0.9974 0.4949 ( 13058 PWs) bands (ev): -18.9552 -18.9552 -18.9540 -18.9540 -16.0117 -16.0117 -16.0107 -16.0107 -7.9278 -7.9278 -7.9269 -7.9269 -6.4293 -6.4293 -6.4284 -6.4284 -5.6419 -5.6419 -5.6410 -5.6410 -3.7209 -3.7209 -3.7201 -3.7201 -3.2042 -3.2042 -3.2034 -3.2034 -0.8697 -0.8697 -0.8690 -0.8690 4.2289 4.2289 4.2307 4.2307 k = 0.1876 0.9974 0.4949 ( 13054 PWs) bands (ev): -18.9553 -18.9553 -18.9541 -18.9541 -16.0115 -16.0115 -16.0106 -16.0106 -7.9278 -7.9278 -7.9269 -7.9269 -6.4277 -6.4277 -6.4268 -6.4268 -5.6422 -5.6422 -5.6413 -5.6413 -3.7209 -3.7209 -3.7201 -3.7201 -3.2055 -3.2055 -3.2047 -3.2047 -0.8692 -0.8692 -0.8684 -0.8684 4.2350 4.2350 4.2365 4.2365 k = 0.2144 0.9974 0.4949 ( 13058 PWs) bands (ev): -18.9555 -18.9555 -18.9543 -18.9543 -16.0114 -16.0114 -16.0104 -16.0104 -7.9277 -7.9277 -7.9269 -7.9269 -6.4259 -6.4259 -6.4251 -6.4251 -5.6425 -5.6425 -5.6416 -5.6416 -3.7209 -3.7209 -3.7201 -3.7201 -3.2069 -3.2069 -3.2061 -3.2061 -0.8686 -0.8686 -0.8678 -0.8678 4.2384 4.2384 4.2394 4.2394 k = 0.2413 0.9974 0.4949 ( 13060 PWs) bands (ev): -18.9557 -18.9557 -18.9545 -18.9545 -16.0112 -16.0112 -16.0103 -16.0103 -7.9277 -7.9277 -7.9269 -7.9269 -6.4239 -6.4239 -6.4230 -6.4230 -5.6429 -5.6429 -5.6419 -5.6419 -3.7208 -3.7208 -3.7200 -3.7200 -3.2085 -3.2085 -3.2078 -3.2078 -0.8679 -0.8679 -0.8672 -0.8672 4.2377 4.2377 4.2383 4.2383 k = 0.2681 0.9974 0.4949 ( 13056 PWs) bands (ev): -18.9559 -18.9559 -18.9547 -18.9547 -16.0110 -16.0110 -16.0101 -16.0101 -7.9277 -7.9277 -7.9269 -7.9269 -6.4217 -6.4217 -6.4208 -6.4208 -5.6432 -5.6432 -5.6423 -5.6423 -3.7208 -3.7208 -3.7200 -3.7200 -3.2103 -3.2103 -3.2096 -3.2096 -0.8672 -0.8672 -0.8664 -0.8664 4.2323 4.2323 4.2326 4.2326 k = 0.2681 0.9974 0.4949 ( 13056 PWs) bands (ev): -18.9559 -18.9559 -18.9547 -18.9547 -16.0110 -16.0110 -16.0101 -16.0101 -7.9277 -7.9277 -7.9269 -7.9269 -6.4217 -6.4217 -6.4208 -6.4208 -5.6432 -5.6432 -5.6423 -5.6423 -3.7208 -3.7208 -3.7200 -3.7200 -3.2103 -3.2103 -3.2096 -3.2096 -0.8672 -0.8672 -0.8664 -0.8664 4.2323 4.2323 4.2326 4.2326 k = 0.2610 0.9712 0.4949 ( 13060 PWs) bands (ev): -18.9552 -18.9552 -18.9540 -18.9540 -16.0117 -16.0117 -16.0107 -16.0107 -7.9278 -7.9278 -7.9269 -7.9269 -6.4291 -6.4291 -6.4283 -6.4283 -5.6419 -5.6419 -5.6410 -5.6410 -3.7209 -3.7209 -3.7201 -3.7201 -3.2043 -3.2043 -3.2036 -3.2036 -0.8697 -0.8697 -0.8689 -0.8689 4.2625 4.2625 4.2628 4.2628 k = 0.2539 0.9449 0.4949 ( 13076 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0120 -16.0120 -16.0110 -16.0110 -7.9278 -7.9278 -7.9269 -7.9269 -6.4330 -6.4330 -6.4321 -6.4321 -5.6412 -5.6412 -5.6403 -5.6403 -3.7210 -3.7210 -3.7202 -3.7202 -3.2012 -3.2012 -3.2004 -3.2004 -0.8710 -0.8710 -0.8703 -0.8703 4.2915 4.2915 4.2918 4.2918 k = 0.2469 0.9187 0.4949 ( 13078 PWs) bands (ev): -18.9548 -18.9548 -18.9536 -18.9536 -16.0120 -16.0120 -16.0111 -16.0111 -7.9278 -7.9278 -7.9269 -7.9269 -6.4332 -6.4332 -6.4324 -6.4324 -5.6412 -5.6412 -5.6402 -5.6402 -3.7210 -3.7210 -3.7202 -3.7202 -3.2010 -3.2010 -3.2002 -3.2002 -0.8711 -0.8711 -0.8703 -0.8703 4.3186 4.3186 4.3189 4.3189 k = 0.2398 0.8924 0.4949 ( 13078 PWs) bands (ev): -18.9551 -18.9551 -18.9539 -18.9539 -16.0117 -16.0117 -16.0108 -16.0108 -7.9278 -7.9278 -7.9269 -7.9269 -6.4298 -6.4298 -6.4289 -6.4289 -5.6417 -5.6417 -5.6408 -5.6408 -3.7209 -3.7209 -3.7201 -3.7201 -3.2038 -3.2038 -3.2030 -3.2030 -0.8699 -0.8699 -0.8692 -0.8692 4.2604 4.2604 4.2606 4.2606 k = 0.2328 0.8662 0.4949 ( 13094 PWs) bands (ev): -18.9558 -18.9558 -18.9546 -18.9546 -16.0111 -16.0111 -16.0102 -16.0102 -7.9277 -7.9277 -7.9269 -7.9269 -6.4227 -6.4227 -6.4219 -6.4219 -5.6429 -5.6429 -5.6420 -5.6420 -3.7208 -3.7208 -3.7199 -3.7199 -3.2095 -3.2095 -3.2087 -3.2087 -0.8675 -0.8675 -0.8668 -0.8668 4.1735 4.1735 4.1737 4.1737 k = 0.2257 0.8399 0.4949 ( 13102 PWs) bands (ev): -18.9569 -18.9569 -18.9557 -18.9557 -16.0102 -16.0102 -16.0092 -16.0092 -7.9277 -7.9277 -7.9269 -7.9269 -6.4121 -6.4121 -6.4112 -6.4112 -5.6447 -5.6447 -5.6437 -5.6437 -3.7206 -3.7206 -3.7198 -3.7198 -3.2179 -3.2179 -3.2172 -3.2172 -0.8641 -0.8641 -0.8633 -0.8633 4.0861 4.0861 4.0863 4.0863 k = 0.2187 0.8137 0.4949 ( 13098 PWs) bands (ev): -18.9583 -18.9583 -18.9571 -18.9571 -16.0090 -16.0090 -16.0080 -16.0080 -7.9275 -7.9275 -7.9267 -7.9267 -6.3980 -6.3980 -6.3972 -6.3972 -5.6470 -5.6470 -5.6461 -5.6461 -3.7204 -3.7204 -3.7196 -3.7196 -3.2290 -3.2290 -3.2283 -3.2283 -0.8596 -0.8596 -0.8589 -0.8589 3.9993 3.9993 3.9995 3.9995 k = 0.2116 0.7874 0.4949 ( 13118 PWs) bands (ev): -18.9600 -18.9600 -18.9588 -18.9588 -16.0075 -16.0075 -16.0065 -16.0065 -7.9273 -7.9273 -7.9265 -7.9265 -6.3806 -6.3806 -6.3798 -6.3798 -5.6498 -5.6498 -5.6489 -5.6489 -3.7204 -3.7204 -3.7196 -3.7196 -3.2425 -3.2425 -3.2418 -3.2418 -0.8545 -0.8545 -0.8537 -0.8537 3.9137 3.9137 3.9139 3.9139 k = 0.2046 0.7612 0.4949 ( 13106 PWs) bands (ev): -18.9620 -18.9620 -18.9608 -18.9608 -16.0057 -16.0057 -16.0047 -16.0047 -7.9268 -7.9268 -7.9260 -7.9260 -6.3601 -6.3601 -6.3592 -6.3592 -5.6530 -5.6530 -5.6521 -5.6521 -3.7207 -3.7207 -3.7199 -3.7199 -3.2582 -3.2582 -3.2574 -3.2574 -0.8488 -0.8488 -0.8480 -0.8480 3.8297 3.8297 3.8299 3.8299 k = 0.1975 0.7349 0.4949 ( 13122 PWs) bands (ev): -18.9644 -18.9644 -18.9632 -18.9632 -16.0036 -16.0036 -16.0027 -16.0027 -7.9262 -7.9262 -7.9254 -7.9254 -6.3366 -6.3366 -6.3358 -6.3358 -5.6566 -5.6566 -5.6557 -5.6557 -3.7213 -3.7213 -3.7205 -3.7205 -3.2757 -3.2757 -3.2749 -3.2749 -0.8428 -0.8428 -0.8421 -0.8421 3.7477 3.7477 3.7479 3.7479 k = 0.1905 0.7087 0.4949 ( 13114 PWs) bands (ev): -18.9670 -18.9670 -18.9658 -18.9658 -16.0013 -16.0013 -16.0004 -16.0004 -7.9252 -7.9252 -7.9244 -7.9244 -6.3104 -6.3104 -6.3096 -6.3096 -5.6604 -5.6604 -5.6595 -5.6595 -3.7226 -3.7226 -3.7218 -3.7218 -3.2946 -3.2946 -3.2939 -3.2939 -0.8369 -0.8369 -0.8361 -0.8361 3.6678 3.6678 3.6681 3.6681 k = 0.1834 0.6825 0.4949 ( 13114 PWs) bands (ev): -18.9699 -18.9699 -18.9687 -18.9687 -15.9988 -15.9988 -15.9979 -15.9979 -7.9239 -7.9239 -7.9231 -7.9231 -6.2818 -6.2818 -6.2809 -6.2809 -5.6644 -5.6644 -5.6635 -5.6635 -3.7246 -3.7246 -3.7238 -3.7238 -3.3147 -3.3147 -3.3139 -3.3139 -0.8312 -0.8312 -0.8305 -0.8305 3.5904 3.5904 3.5907 3.5907 k = 0.1764 0.6562 0.4949 ( 13114 PWs) bands (ev): -18.9730 -18.9730 -18.9718 -18.9718 -15.9961 -15.9961 -15.9952 -15.9952 -7.9222 -7.9222 -7.9214 -7.9214 -6.2510 -6.2510 -6.2501 -6.2501 -5.6683 -5.6683 -5.6674 -5.6674 -3.7278 -3.7278 -3.7270 -3.7270 -3.3353 -3.3353 -3.3345 -3.3345 -0.8262 -0.8262 -0.8255 -0.8255 3.5156 3.5156 3.5158 3.5158 k = 0.1693 0.6300 0.4949 ( 13120 PWs) bands (ev): -18.9763 -18.9763 -18.9751 -18.9751 -15.9932 -15.9932 -15.9923 -15.9923 -7.9200 -7.9200 -7.9193 -7.9193 -6.2184 -6.2184 -6.2175 -6.2175 -5.6720 -5.6720 -5.6711 -5.6711 -3.7323 -3.7323 -3.7315 -3.7315 -3.3560 -3.3560 -3.3553 -3.3553 -0.8221 -0.8221 -0.8213 -0.8213 3.4434 3.4434 3.4437 3.4437 k = 0.1622 0.6037 0.4949 ( 13128 PWs) bands (ev): -18.9798 -18.9798 -18.9786 -18.9786 -15.9902 -15.9902 -15.9893 -15.9893 -7.9174 -7.9174 -7.9167 -7.9167 -6.1844 -6.1844 -6.1835 -6.1835 -5.6753 -5.6753 -5.6744 -5.6744 -3.7385 -3.7385 -3.7377 -3.7377 -3.3763 -3.3763 -3.3755 -3.3755 -0.8190 -0.8190 -0.8183 -0.8183 3.3741 3.3741 3.3744 3.3744 k = 0.1552 0.5775 0.4949 ( 13132 PWs) bands (ev): -18.9834 -18.9834 -18.9822 -18.9822 -15.9871 -15.9871 -15.9861 -15.9861 -7.9144 -7.9144 -7.9136 -7.9136 -6.1494 -6.1494 -6.1486 -6.1486 -5.6778 -5.6778 -5.6769 -5.6769 -3.7468 -3.7468 -3.7460 -3.7460 -3.3956 -3.3956 -3.3949 -3.3949 -0.8174 -0.8174 -0.8167 -0.8167 3.3077 3.3077 3.3080 3.3080 k = 0.1481 0.5512 0.4949 ( 13136 PWs) bands (ev): -18.9871 -18.9871 -18.9860 -18.9860 -15.9838 -15.9838 -15.9829 -15.9829 -7.9108 -7.9108 -7.9100 -7.9100 -6.1141 -6.1141 -6.1132 -6.1132 -5.6792 -5.6792 -5.6784 -5.6784 -3.7575 -3.7575 -3.7567 -3.7567 -3.4135 -3.4135 -3.4127 -3.4127 -0.8174 -0.8174 -0.8167 -0.8167 3.2444 3.2444 3.2446 3.2446 k = 0.1411 0.5250 0.4949 ( 13128 PWs) bands (ev): -18.9910 -18.9910 -18.9898 -18.9898 -15.9805 -15.9805 -15.9796 -15.9796 -7.9067 -7.9067 -7.9059 -7.9059 -6.0790 -6.0790 -6.0781 -6.0781 -5.6791 -5.6791 -5.6782 -5.6782 -3.7707 -3.7707 -3.7699 -3.7699 -3.4295 -3.4295 -3.4287 -3.4287 -0.8190 -0.8190 -0.8184 -0.8184 3.1841 3.1841 3.1843 3.1843 k = 0.1340 0.4987 0.4949 ( 13124 PWs) bands (ev): -18.9949 -18.9949 -18.9937 -18.9937 -15.9772 -15.9772 -15.9762 -15.9762 -7.9021 -7.9021 -7.9013 -7.9013 -6.0450 -6.0450 -6.0441 -6.0441 -5.6768 -5.6768 -5.6759 -5.6759 -3.7866 -3.7866 -3.7859 -3.7859 -3.4433 -3.4433 -3.4426 -3.4426 -0.8226 -0.8226 -0.8219 -0.8219 3.1269 3.1269 3.1272 3.1272 k = 0.1270 0.4725 0.4949 ( 13132 PWs) bands (ev): -18.9988 -18.9988 -18.9976 -18.9976 -15.9738 -15.9738 -15.9729 -15.9729 -7.8971 -7.8971 -7.8963 -7.8963 -6.0129 -6.0129 -6.0121 -6.0121 -5.6716 -5.6716 -5.6708 -5.6708 -3.8051 -3.8051 -3.8044 -3.8044 -3.4549 -3.4549 -3.4542 -3.4542 -0.8280 -0.8280 -0.8273 -0.8273 3.0730 3.0730 3.0732 3.0732 k = 0.1199 0.4462 0.4949 ( 13132 PWs) bands (ev): -19.0027 -19.0027 -19.0016 -19.0016 -15.9705 -15.9705 -15.9695 -15.9695 -7.8917 -7.8917 -7.8909 -7.8909 -5.9839 -5.9839 -5.9831 -5.9831 -5.6628 -5.6628 -5.6620 -5.6620 -3.8261 -3.8261 -3.8253 -3.8253 -3.4643 -3.4643 -3.4635 -3.4635 -0.8353 -0.8353 -0.8346 -0.8346 3.0223 3.0223 3.0225 3.0225 k = 0.1129 0.4200 0.4949 ( 13132 PWs) bands (ev): -19.0066 -19.0066 -19.0054 -19.0054 -15.9672 -15.9672 -15.9662 -15.9662 -7.8859 -7.8859 -7.8851 -7.8851 -5.9589 -5.9589 -5.9580 -5.9580 -5.6496 -5.6496 -5.6488 -5.6488 -3.8490 -3.8490 -3.8482 -3.8482 -3.4716 -3.4716 -3.4708 -3.4708 -0.8445 -0.8445 -0.8438 -0.8438 2.9748 2.9748 2.9750 2.9750 k = 0.1058 0.3937 0.4949 ( 13132 PWs) bands (ev): -19.0104 -19.0104 -19.0093 -19.0093 -15.9639 -15.9639 -15.9630 -15.9630 -7.8798 -7.8798 -7.8790 -7.8790 -5.9384 -5.9384 -5.9375 -5.9375 -5.6316 -5.6316 -5.6308 -5.6308 -3.8735 -3.8735 -3.8728 -3.8728 -3.4771 -3.4771 -3.4763 -3.4763 -0.8554 -0.8554 -0.8547 -0.8547 2.9305 2.9305 2.9307 2.9307 k = 0.0988 0.3675 0.4949 ( 13140 PWs) bands (ev): -19.0142 -19.0142 -19.0130 -19.0130 -15.9608 -15.9608 -15.9598 -15.9598 -7.8735 -7.8735 -7.8727 -7.8727 -5.9227 -5.9227 -5.9218 -5.9218 -5.6090 -5.6090 -5.6081 -5.6081 -3.8992 -3.8992 -3.8985 -3.8985 -3.4811 -3.4811 -3.4803 -3.4803 -0.8678 -0.8678 -0.8672 -0.8672 2.8895 2.8895 2.8897 2.8897 k = 0.0917 0.3412 0.4949 ( 13152 PWs) bands (ev): -19.0178 -19.0178 -19.0166 -19.0166 -15.9577 -15.9577 -15.9568 -15.9568 -7.8670 -7.8670 -7.8663 -7.8663 -5.9114 -5.9114 -5.9105 -5.9105 -5.5823 -5.5823 -5.5814 -5.5814 -3.9255 -3.9255 -3.9248 -3.9248 -3.4839 -3.4839 -3.4831 -3.4831 -0.8816 -0.8816 -0.8810 -0.8810 2.8516 2.8516 2.8518 2.8518 k = 0.0846 0.3150 0.4949 ( 13142 PWs) bands (ev): -19.0212 -19.0212 -19.0200 -19.0200 -15.9548 -15.9548 -15.9539 -15.9539 -7.8605 -7.8605 -7.8598 -7.8598 -5.9038 -5.9038 -5.9029 -5.9029 -5.5526 -5.5526 -5.5517 -5.5517 -3.9521 -3.9521 -3.9513 -3.9513 -3.4856 -3.4856 -3.4849 -3.4849 -0.8964 -0.8964 -0.8958 -0.8958 2.8168 2.8168 2.8170 2.8170 k = 0.0776 0.2887 0.4949 ( 13142 PWs) bands (ev): -19.0245 -19.0245 -19.0233 -19.0233 -15.9521 -15.9521 -15.9511 -15.9511 -7.8541 -7.8541 -7.8533 -7.8533 -5.8990 -5.8990 -5.8981 -5.8981 -5.5210 -5.5210 -5.5201 -5.5201 -3.9784 -3.9784 -3.9776 -3.9776 -3.4867 -3.4867 -3.4859 -3.4859 -0.9120 -0.9120 -0.9114 -0.9114 2.7852 2.7852 2.7854 2.7854 k = 0.0705 0.2625 0.4949 ( 13148 PWs) bands (ev): -19.0276 -19.0276 -19.0264 -19.0264 -15.9495 -15.9495 -15.9486 -15.9486 -7.8477 -7.8477 -7.8470 -7.8470 -5.8964 -5.8964 -5.8955 -5.8955 -5.4886 -5.4886 -5.4877 -5.4877 -4.0041 -4.0041 -4.0034 -4.0034 -3.4872 -3.4872 -3.4864 -3.4864 -0.9280 -0.9280 -0.9273 -0.9273 2.7565 2.7565 2.7567 2.7567 k = 0.0635 0.2362 0.4949 ( 13148 PWs) bands (ev): -19.0304 -19.0304 -19.0293 -19.0293 -15.9471 -15.9471 -15.9462 -15.9462 -7.8416 -7.8416 -7.8408 -7.8408 -5.8952 -5.8952 -5.8944 -5.8944 -5.4563 -5.4563 -5.4555 -5.4555 -4.0288 -4.0288 -4.0281 -4.0281 -3.4873 -3.4873 -3.4865 -3.4865 -0.9440 -0.9440 -0.9433 -0.9433 2.7308 2.7308 2.7310 2.7310 k = 0.0564 0.2100 0.4949 ( 13144 PWs) bands (ev): -19.0330 -19.0330 -19.0319 -19.0319 -15.9449 -15.9449 -15.9440 -15.9440 -7.8358 -7.8358 -7.8351 -7.8351 -5.8951 -5.8951 -5.8942 -5.8942 -5.4251 -5.4251 -5.4243 -5.4243 -4.0522 -4.0522 -4.0515 -4.0515 -3.4871 -3.4871 -3.4863 -3.4863 -0.9596 -0.9596 -0.9589 -0.9589 2.7080 2.7080 2.7082 2.7082 k = 0.0494 0.1837 0.4949 ( 13140 PWs) bands (ev): -19.0354 -19.0354 -19.0342 -19.0342 -15.9430 -15.9430 -15.9420 -15.9420 -7.8305 -7.8305 -7.8297 -7.8297 -5.8955 -5.8955 -5.8946 -5.8946 -5.3957 -5.3957 -5.3949 -5.3949 -4.0739 -4.0739 -4.0732 -4.0732 -3.4867 -3.4867 -3.4859 -3.4859 -0.9745 -0.9745 -0.9738 -0.9738 2.6880 2.6880 2.6882 2.6882 k = 0.0423 0.1575 0.4949 ( 13148 PWs) bands (ev): -19.0375 -19.0375 -19.0363 -19.0363 -15.9413 -15.9413 -15.9403 -15.9403 -7.8256 -7.8256 -7.8249 -7.8249 -5.8963 -5.8963 -5.8955 -5.8955 -5.3688 -5.3688 -5.3679 -5.3679 -4.0936 -4.0936 -4.0929 -4.0929 -3.4863 -3.4863 -3.4855 -3.4855 -0.9883 -0.9883 -0.9876 -0.9876 2.6709 2.6709 2.6711 2.6711 k = 0.0353 0.1312 0.4949 ( 13144 PWs) bands (ev): -19.0392 -19.0392 -19.0381 -19.0381 -15.9398 -15.9398 -15.9388 -15.9388 -7.8214 -7.8214 -7.8206 -7.8206 -5.8973 -5.8973 -5.8964 -5.8964 -5.3449 -5.3449 -5.3440 -5.3440 -4.1110 -4.1110 -4.1102 -4.1102 -3.4858 -3.4858 -3.4850 -3.4850 -1.0006 -1.0006 -0.9999 -0.9999 2.6564 2.6564 2.6566 2.6566 k = 0.0282 0.1050 0.4949 ( 13154 PWs) bands (ev): -19.0407 -19.0407 -19.0396 -19.0396 -15.9386 -15.9386 -15.9376 -15.9376 -7.8178 -7.8178 -7.8170 -7.8170 -5.8983 -5.8983 -5.8974 -5.8974 -5.3245 -5.3245 -5.3236 -5.3236 -4.1257 -4.1257 -4.1249 -4.1249 -3.4853 -3.4853 -3.4845 -3.4845 -1.0112 -1.0112 -1.0105 -1.0105 2.6447 2.6447 2.6449 2.6449 k = 0.0212 0.0787 0.4949 ( 13166 PWs) bands (ev): -19.0419 -19.0419 -19.0407 -19.0407 -15.9376 -15.9376 -15.9367 -15.9367 -7.8149 -7.8149 -7.8141 -7.8141 -5.8991 -5.8991 -5.8982 -5.8982 -5.3081 -5.3081 -5.3073 -5.3073 -4.1374 -4.1374 -4.1367 -4.1367 -3.4850 -3.4850 -3.4842 -3.4842 -1.0197 -1.0197 -1.0190 -1.0190 2.6356 2.6356 2.6358 2.6358 k = 0.0141 0.0525 0.4949 ( 13178 PWs) bands (ev): -19.0427 -19.0427 -19.0415 -19.0415 -15.9369 -15.9369 -15.9360 -15.9360 -7.8129 -7.8129 -7.8121 -7.8121 -5.8998 -5.8998 -5.8989 -5.8989 -5.2962 -5.2962 -5.2953 -5.2953 -4.1460 -4.1460 -4.1453 -4.1453 -3.4847 -3.4847 -3.4839 -3.4839 -1.0259 -1.0259 -1.0252 -1.0252 2.6291 2.6291 2.6293 2.6293 k = 0.0071 0.0262 0.4949 ( 13190 PWs) bands (ev): -19.0432 -19.0432 -19.0420 -19.0420 -15.9365 -15.9365 -15.9356 -15.9356 -7.8116 -7.8116 -7.8108 -7.8108 -5.9002 -5.9002 -5.8993 -5.8993 -5.2889 -5.2889 -5.2880 -5.2880 -4.1513 -4.1513 -4.1505 -4.1505 -3.4845 -3.4845 -3.4837 -3.4837 -1.0297 -1.0297 -1.0291 -1.0291 2.6252 2.6252 2.6254 2.6254 k = 0.0000 0.0000 0.4949 ( 13190 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9003 -5.9003 -5.8994 -5.8994 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4844 -3.4844 -3.4836 -3.4836 -1.0310 -1.0310 -1.0303 -1.0303 2.6239 2.6239 2.6241 2.6241 k = 0.0000 0.0000 0.4949 ( 13190 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9003 -5.9003 -5.8994 -5.8994 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4844 -3.4844 -3.4836 -3.4836 -1.0310 -1.0310 -1.0303 -1.0303 2.6239 2.6239 2.6241 2.6241 k = 0.0000 0.0000 0.4688 ( 13200 PWs) bands (ev): -19.0552 -19.0552 -19.0302 -19.0302 -15.9632 -15.9632 -15.9086 -15.9086 -7.8471 -7.8471 -7.7737 -7.7737 -5.9163 -5.9163 -5.8835 -5.8835 -5.2999 -5.2999 -5.2742 -5.2742 -4.1825 -4.1825 -4.1213 -4.1213 -3.5110 -3.5110 -3.4568 -3.4568 -1.0590 -1.0590 -1.0009 -1.0009 2.5740 2.5740 2.6756 2.6756 k = 0.0000 0.0000 0.4428 ( 13177 PWs) bands (ev): -19.0673 -19.0673 -19.0176 -19.0176 -15.9905 -15.9905 -15.8816 -15.8816 -7.8826 -7.8826 -7.7360 -7.7360 -5.9325 -5.9325 -5.8674 -5.8674 -5.3154 -5.3154 -5.2651 -5.2651 -4.2103 -4.2103 -4.0891 -4.0891 -3.5372 -3.5372 -3.4295 -3.4295 -1.0856 -1.0856 -0.9699 -0.9699 2.5257 2.5257 2.7287 2.7287 k = 0.0000 0.0000 0.4167 ( 13175 PWs) bands (ev): -19.0791 -19.0791 -19.0049 -19.0049 -16.0174 -16.0174 -15.8550 -15.8550 -7.9169 -7.9169 -7.6979 -7.6979 -5.9484 -5.9484 -5.8517 -5.8517 -5.3319 -5.3319 -5.2590 -5.2590 -4.2353 -4.2353 -4.0570 -4.0570 -3.5623 -3.5623 -3.4026 -3.4026 -1.1105 -1.1105 -0.9379 -0.9379 2.4791 2.4791 2.7832 2.7832 k = 0.0000 0.0000 0.3907 ( 13165 PWs) bands (ev): -19.0905 -19.0905 -18.9924 -18.9924 -16.0439 -16.0439 -15.8290 -15.8290 -7.9500 -7.9500 -7.6597 -7.6597 -5.9639 -5.9639 -5.8366 -5.8366 -5.3488 -5.3488 -5.2564 -5.2564 -4.2572 -4.2572 -4.0259 -4.0259 -3.5857 -3.5857 -3.3762 -3.3762 -1.1336 -1.1336 -0.9050 -0.9050 2.4345 2.4345 2.8390 2.8390 k = 0.0000 0.0000 0.3647 ( 13161 PWs) bands (ev): -19.1015 -19.1015 -18.9800 -18.9800 -16.0697 -16.0697 -15.8038 -15.8038 -7.9817 -7.9817 -7.6216 -7.6216 -5.9789 -5.9789 -5.8225 -5.8225 -5.3656 -5.3656 -5.2574 -5.2574 -4.2756 -4.2756 -3.9968 -3.9968 -3.6066 -3.6066 -3.3506 -3.3506 -1.1548 -1.1548 -0.8717 -0.8717 2.3918 2.3918 2.8958 2.8958 k = 0.0000 0.0000 0.3386 ( 13167 PWs) bands (ev): -19.1120 -19.1120 -18.9679 -18.9679 -16.0947 -16.0947 -15.7795 -15.7795 -8.0119 -8.0119 -7.5838 -7.5838 -5.9932 -5.9932 -5.8096 -5.8096 -5.3817 -5.3817 -5.2619 -5.2619 -4.2906 -4.2906 -3.9708 -3.9708 -3.6240 -3.6240 -3.3259 -3.3259 -1.1740 -1.1740 -0.8381 -0.8381 2.3512 2.3512 2.9534 2.9534 k = 0.0000 0.0000 0.3126 ( 13159 PWs) bands (ev): -19.1218 -19.1218 -18.9561 -18.9561 -16.1187 -16.1187 -15.7563 -15.7563 -8.0404 -8.0404 -7.5466 -7.5466 -6.0068 -6.0068 -5.7982 -5.7982 -5.3967 -5.3967 -5.2698 -5.2698 -4.3021 -4.3021 -3.9493 -3.9493 -3.6371 -3.6371 -3.3023 -3.3023 -1.1914 -1.1914 -0.8047 -0.8047 2.3127 2.3127 3.0116 3.0116 k = 0.0000 0.0000 0.2865 ( 13149 PWs) bands (ev): -19.1311 -19.1311 -18.9448 -18.9448 -16.1415 -16.1415 -15.7343 -15.7343 -8.0671 -8.0671 -7.5104 -7.5104 -6.0196 -6.0196 -5.7886 -5.7886 -5.4102 -5.4102 -5.2805 -5.2805 -4.3104 -4.3104 -3.9333 -3.9333 -3.6447 -3.6447 -3.2800 -3.2800 -1.2068 -1.2068 -0.7718 -0.7718 2.2765 2.2765 3.0702 3.0702 k = 0.0000 0.0000 0.2605 ( 13151 PWs) bands (ev): -19.1397 -19.1397 -18.9341 -18.9341 -16.1630 -16.1630 -15.7137 -15.7137 -8.0919 -8.0919 -7.4753 -7.4753 -6.0316 -6.0316 -5.7810 -5.7810 -5.4219 -5.4219 -5.2934 -5.2934 -4.3160 -4.3160 -3.9235 -3.9235 -3.6464 -3.6464 -3.2592 -3.2592 -1.2204 -1.2204 -0.7397 -0.7397 2.2427 2.2427 3.1286 3.1286 k = 0.0000 0.0000 0.2344 ( 13149 PWs) bands (ev): -19.1476 -19.1476 -18.9241 -18.9241 -16.1829 -16.1829 -15.6947 -15.6947 -8.1147 -8.1147 -7.4419 -7.4419 -6.0426 -6.0426 -5.7754 -5.7754 -5.4316 -5.4316 -5.3078 -5.3078 -4.3193 -4.3193 -3.9197 -3.9197 -3.6425 -3.6425 -3.2399 -3.2399 -1.2322 -1.2322 -0.7090 -0.7090 2.2114 2.2114 3.1864 3.1864 k = 0.0000 0.0000 0.2084 ( 13153 PWs) bands (ev): -19.1548 -19.1548 -18.9148 -18.9148 -16.2013 -16.2013 -15.6772 -15.6772 -8.1354 -8.1354 -7.4104 -7.4104 -6.0526 -6.0526 -5.7719 -5.7719 -5.4395 -5.4395 -5.3228 -5.3228 -4.3208 -4.3208 -3.9207 -3.9207 -3.6343 -3.6343 -3.2223 -3.2223 -1.2423 -1.2423 -0.6800 -0.6800 2.1828 2.1828 3.2431 3.2431 k = 0.0000 0.0000 0.1823 ( 13151 PWs) bands (ev): -19.1612 -19.1612 -18.9063 -18.9063 -16.2178 -16.2178 -15.6616 -15.6616 -8.1539 -8.1539 -7.3812 -7.3812 -6.0616 -6.0616 -5.7702 -5.7702 -5.4458 -5.4458 -5.3375 -5.3375 -4.3211 -4.3211 -3.9251 -3.9251 -3.6232 -3.6232 -3.2065 -3.2065 -1.2509 -1.2509 -0.6531 -0.6531 2.1570 2.1570 3.2978 3.2978 k = 0.0000 0.0000 0.1563 ( 13141 PWs) bands (ev): -19.1668 -19.1668 -18.8988 -18.8988 -16.2324 -16.2324 -15.6478 -15.6478 -8.1701 -8.1701 -7.3548 -7.3548 -6.0695 -6.0695 -5.7701 -5.7701 -5.4509 -5.4509 -5.3512 -5.3512 -4.3205 -4.3205 -3.9313 -3.9313 -3.6111 -3.6111 -3.1926 -3.1926 -1.2580 -1.2580 -0.6288 -0.6288 2.1342 2.1342 3.3496 3.3496 k = 0.0000 0.0000 0.1302 ( 13125 PWs) bands (ev): -19.1716 -19.1716 -18.8923 -18.8923 -16.2450 -16.2450 -15.6359 -15.6359 -8.1840 -8.1840 -7.3316 -7.3316 -6.0763 -6.0763 -5.7711 -5.7711 -5.4552 -5.4552 -5.3630 -5.3630 -4.3195 -4.3195 -3.9381 -3.9381 -3.5990 -3.5990 -3.1806 -3.1806 -1.2637 -1.2637 -0.6074 -0.6074 2.1146 2.1146 3.3975 3.3975 k = 0.0000 0.0000 0.1042 ( 13121 PWs) bands (ev): -19.1755 -19.1755 -18.8869 -18.8869 -16.2554 -16.2554 -15.6261 -15.6261 -8.1954 -8.1954 -7.3119 -7.3119 -6.0819 -6.0819 -5.7727 -5.7727 -5.4590 -5.4590 -5.3725 -5.3725 -4.3183 -4.3183 -3.9446 -3.9446 -3.5881 -3.5881 -3.1708 -3.1708 -1.2683 -1.2683 -0.5894 -0.5894 2.0983 2.0983 3.4401 3.4401 k = 0.0000 0.0000 0.0781 ( 13121 PWs) bands (ev): -19.1786 -19.1786 -18.8826 -18.8826 -16.2637 -16.2637 -15.6184 -15.6184 -8.2043 -8.2043 -7.2962 -7.2962 -6.0863 -6.0863 -5.7746 -5.7746 -5.4623 -5.4623 -5.3795 -5.3795 -4.3172 -4.3172 -3.9501 -3.9501 -3.5790 -3.5790 -3.1630 -3.1630 -1.2717 -1.2717 -0.5750 -0.5750 2.0854 2.0854 3.4758 3.4758 k = 0.0000 0.0000 0.0521 ( 13141 PWs) bands (ev): -19.1808 -19.1808 -18.8795 -18.8795 -16.2696 -16.2696 -15.6129 -15.6129 -8.2108 -8.2108 -7.2847 -7.2847 -6.0895 -6.0895 -5.7762 -5.7762 -5.4651 -5.4651 -5.3841 -5.3841 -4.3163 -4.3163 -3.9543 -3.9543 -3.5723 -3.5723 -3.1575 -3.1575 -1.2740 -1.2740 -0.5645 -0.5645 2.0761 2.0761 3.5029 3.5029 k = 0.0000 0.0000 0.0260 ( 13139 PWs) bands (ev): -19.1822 -19.1822 -18.8776 -18.8776 -16.2731 -16.2731 -15.6096 -15.6096 -8.2146 -8.2146 -7.2777 -7.2777 -6.0914 -6.0914 -5.7773 -5.7773 -5.4670 -5.4670 -5.3867 -5.3867 -4.3158 -4.3158 -3.9569 -3.9569 -3.5681 -3.5681 -3.1541 -3.1541 -1.2754 -1.2754 -0.5581 -0.5581 2.0705 2.0705 3.5199 3.5199 k = 0.0000 0.0000 0.0000 ( 13139 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0920 -6.0920 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9578 -3.9578 -3.5667 -3.5667 -3.1530 -3.1530 -1.2759 -1.2759 -0.5560 -0.5560 2.0686 2.0686 3.5257 3.5257 k = 0.0000 0.0000 0.0000 ( 13139 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0920 -6.0920 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9578 -3.9578 -3.5667 -3.5667 -3.1530 -3.1530 -1.2759 -1.2759 -0.5560 -0.5560 2.0686 2.0686 3.5257 3.5257 k =-0.0263 0.0071-0.0000 ( 13149 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0920 -6.0920 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9578 -3.9578 -3.5667 -3.5667 -3.1530 -3.1530 -1.2759 -1.2759 -0.5560 -0.5560 2.0709 2.0709 3.5272 3.5272 k =-0.0526 0.0141-0.0000 ( 13139 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0921 -6.0921 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9578 -3.9578 -3.5667 -3.5667 -3.1530 -3.1530 -1.2758 -1.2758 -0.5560 -0.5560 2.0777 2.0777 3.5316 3.5316 k =-0.0789 0.0212-0.0000 ( 13143 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0921 -6.0921 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9578 -3.9578 -3.5667 -3.5667 -3.1530 -3.1530 -1.2758 -1.2758 -0.5560 -0.5560 2.0892 2.0892 3.5389 3.5389 k =-0.1053 0.0283-0.0000 ( 13143 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0922 -6.0922 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9579 -3.9579 -3.5667 -3.5667 -3.1530 -3.1530 -1.2758 -1.2758 -0.5560 -0.5560 2.1052 2.1052 3.5490 3.5490 k =-0.1316 0.0354-0.0000 ( 13161 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0923 -6.0923 -5.7777 -5.7777 -5.4677 -5.4677 -5.3876 -5.3876 -4.3156 -4.3156 -3.9580 -3.9580 -3.5667 -3.5667 -3.1530 -3.1530 -1.2758 -1.2758 -0.5560 -0.5560 2.1257 2.1257 3.5618 3.5618 k =-0.1579 0.0424-0.0000 ( 13161 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0924 -6.0924 -5.7778 -5.7778 -5.4678 -5.4678 -5.3876 -5.3876 -4.3156 -4.3156 -3.9581 -3.9581 -3.5667 -3.5667 -3.1530 -3.1530 -1.2758 -1.2758 -0.5560 -0.5560 2.1507 2.1507 3.5772 3.5772 k =-0.1842 0.0495-0.0000 ( 13153 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0926 -6.0926 -5.7778 -5.7778 -5.4678 -5.4678 -5.3877 -5.3877 -4.3156 -4.3156 -3.9582 -3.9582 -3.5667 -3.5667 -3.1530 -3.1530 -1.2757 -1.2757 -0.5560 -0.5560 2.1801 2.1801 3.5949 3.5949 k =-0.2105 0.0566-0.0000 ( 13165 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0927 -6.0927 -5.7778 -5.7778 -5.4678 -5.4678 -5.3877 -5.3877 -4.3156 -4.3156 -3.9583 -3.9583 -3.5668 -3.5668 -3.1530 -3.1530 -1.2757 -1.2757 -0.5560 -0.5560 2.2140 2.2140 3.6147 3.6147 k =-0.2368 0.0637-0.0000 ( 13161 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0929 -6.0929 -5.7778 -5.7778 -5.4678 -5.4678 -5.3877 -5.3877 -4.3157 -4.3157 -3.9584 -3.9584 -3.5668 -3.5668 -3.1530 -3.1530 -1.2757 -1.2757 -0.5560 -0.5560 2.2521 2.2521 3.6364 3.6364 k =-0.2632 0.0707-0.0000 ( 13161 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0930 -6.0930 -5.7779 -5.7779 -5.4678 -5.4678 -5.3877 -5.3877 -4.3157 -4.3157 -3.9585 -3.9585 -3.5668 -3.5668 -3.1530 -3.1530 -1.2756 -1.2756 -0.5560 -0.5560 2.2945 2.2945 3.6589 3.6589 k =-0.2895 0.0778-0.0000 ( 13162 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0932 -6.0932 -5.7779 -5.7779 -5.4679 -5.4679 -5.3878 -5.3878 -4.3157 -4.3157 -3.9586 -3.9586 -3.5668 -3.5668 -3.1530 -3.1530 -1.2756 -1.2756 -0.5561 -0.5561 2.3411 2.3411 3.5871 3.5871 k =-0.3158 0.0849-0.0000 ( 13142 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0933 -6.0933 -5.7779 -5.7779 -5.4679 -5.4679 -5.3878 -5.3878 -4.3157 -4.3157 -3.9587 -3.9587 -3.5668 -3.5668 -3.1530 -3.1530 -1.2756 -1.2756 -0.5561 -0.5561 2.3917 2.3917 3.4910 3.4910 k =-0.3421 0.0919-0.0000 ( 13116 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0934 -6.0934 -5.7779 -5.7779 -5.4679 -5.4679 -5.3878 -5.3878 -4.3157 -4.3157 -3.9587 -3.9587 -3.5669 -3.5669 -3.1530 -3.1530 -1.2755 -1.2755 -0.5561 -0.5561 2.4462 2.4462 3.3963 3.3963 k =-0.3684 0.0990-0.0000 ( 13114 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0936 -6.0936 -5.7780 -5.7780 -5.4679 -5.4679 -5.3878 -5.3878 -4.3157 -4.3157 -3.9588 -3.9588 -3.5669 -3.5669 -3.1530 -3.1530 -1.2755 -1.2755 -0.5561 -0.5561 2.5044 2.5044 3.3037 3.3037 k =-0.3947 0.1061-0.0000 ( 13128 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0937 -6.0937 -5.7780 -5.7780 -5.4679 -5.4679 -5.3879 -5.3879 -4.3157 -4.3157 -3.9589 -3.9589 -3.5669 -3.5669 -3.1530 -3.1530 -1.2755 -1.2755 -0.5561 -0.5561 2.5659 2.5659 3.2137 3.2137 k =-0.4211 0.1132-0.0000 ( 13136 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0937 -6.0937 -5.7780 -5.7780 -5.4680 -5.4680 -5.3879 -5.3879 -4.3157 -4.3157 -3.9590 -3.9590 -3.5669 -3.5669 -3.1530 -3.1530 -1.2755 -1.2755 -0.5561 -0.5561 2.6302 2.6302 3.1272 3.1272 k =-0.4474 0.1202-0.0000 ( 13142 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0938 -6.0938 -5.7780 -5.7780 -5.4680 -5.4680 -5.3879 -5.3879 -4.3157 -4.3157 -3.9590 -3.9590 -3.5669 -3.5669 -3.1530 -3.1530 -1.2754 -1.2754 -0.5561 -0.5561 2.6956 2.6956 3.0457 3.0457 k =-0.4737 0.1273-0.0000 ( 13114 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0938 -6.0938 -5.7780 -5.7780 -5.4680 -5.4680 -5.3879 -5.3879 -4.3157 -4.3157 -3.9590 -3.9590 -3.5669 -3.5669 -3.1530 -3.1530 -1.2754 -1.2754 -0.5561 -0.5561 2.7569 2.7569 2.9748 2.9748 k =-0.5000 0.1344-0.0000 ( 13114 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0938 -6.0938 -5.7780 -5.7780 -5.4680 -5.4680 -5.3879 -5.3879 -4.3157 -4.3157 -3.9590 -3.9590 -3.5669 -3.5669 -3.1530 -3.1530 -1.2754 -1.2754 -0.5561 -0.5561 2.7894 2.7894 2.9391 2.9391 k =-0.5000 0.1344-0.0000 ( 13114 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0938 -6.0938 -5.7780 -5.7780 -5.4680 -5.4680 -5.3879 -5.3879 -4.3157 -4.3157 -3.9590 -3.9590 -3.5669 -3.5669 -3.1530 -3.1530 -1.2754 -1.2754 -0.5561 -0.5561 2.7894 2.7894 2.9391 2.9391 k =-0.4930 0.1605-0.0000 ( 13112 PWs) bands (ev): -19.1823 -19.1823 -18.8770 -18.8770 -16.2741 -16.2741 -15.6089 -15.6089 -8.2160 -8.2160 -7.2763 -7.2763 -6.0935 -6.0935 -5.7792 -5.7792 -5.4697 -5.4697 -5.3891 -5.3891 -4.3133 -4.3133 -3.9583 -3.9583 -3.5657 -3.5657 -3.1535 -3.1535 -1.2756 -1.2756 -0.5567 -0.5567 2.7916 2.7916 2.9402 2.9402 k =-0.4859 0.1867-0.0000 ( 13118 PWs) bands (ev): -19.1815 -19.1815 -18.8770 -18.8770 -16.2734 -16.2734 -15.6104 -15.6104 -8.2163 -8.2163 -7.2790 -7.2790 -6.0923 -6.0923 -5.7828 -5.7828 -5.4747 -5.4747 -5.3927 -5.3927 -4.3064 -4.3064 -3.9562 -3.9562 -3.5621 -3.5621 -3.1549 -3.1549 -1.2760 -1.2760 -0.5584 -0.5584 2.7984 2.7984 2.9435 2.9435 k =-0.4789 0.2128-0.0000 ( 13136 PWs) bands (ev): -19.1801 -19.1801 -18.8770 -18.8770 -16.2723 -16.2723 -15.6128 -15.6128 -8.2168 -8.2168 -7.2835 -7.2835 -6.0904 -6.0904 -5.7888 -5.7888 -5.4828 -5.4828 -5.3985 -5.3985 -4.2953 -4.2953 -3.9528 -3.9528 -3.5562 -3.5562 -3.1573 -3.1573 -1.2767 -1.2767 -0.5611 -0.5611 2.8095 2.8095 2.9490 2.9490 k =-0.4719 0.2390-0.0000 ( 13134 PWs) bands (ev): -19.1781 -19.1781 -18.8770 -18.8770 -16.2708 -16.2708 -15.6161 -15.6161 -8.2175 -8.2175 -7.2899 -7.2899 -6.0878 -6.0878 -5.7972 -5.7972 -5.4935 -5.4935 -5.4061 -5.4061 -4.2805 -4.2805 -3.9480 -3.9480 -3.5485 -3.5485 -3.1606 -3.1606 -1.2772 -1.2772 -0.5648 -0.5648 2.8250 2.8250 2.9566 2.9566 k =-0.4649 0.2651-0.0000 ( 13138 PWs) bands (ev): -19.1756 -19.1756 -18.8769 -18.8769 -16.2688 -16.2688 -15.6204 -15.6204 -8.2183 -8.2183 -7.2981 -7.2981 -6.0844 -6.0844 -5.8078 -5.8078 -5.5062 -5.5062 -5.4150 -5.4150 -4.2628 -4.2628 -3.9421 -3.9421 -3.5393 -3.5393 -3.1648 -3.1648 -1.2774 -1.2774 -0.5692 -0.5692 2.8446 2.8446 2.9664 2.9664 k =-0.4578 0.2913-0.0000 ( 13128 PWs) bands (ev): -19.1726 -19.1726 -18.8769 -18.8769 -16.2664 -16.2664 -15.6255 -15.6255 -8.2194 -8.2194 -7.3081 -7.3081 -6.0804 -6.0804 -5.8207 -5.8207 -5.5205 -5.5205 -5.4249 -5.4249 -4.2429 -4.2429 -3.9350 -3.9350 -3.5292 -3.5292 -3.1699 -3.1699 -1.2768 -1.2768 -0.5741 -0.5741 2.8683 2.8683 2.9784 2.9784 k =-0.4508 0.3174-0.0000 ( 13136 PWs) bands (ev): -19.1690 -19.1690 -18.8770 -18.8770 -16.2636 -16.2636 -15.6316 -15.6316 -8.2206 -8.2206 -7.3201 -7.3201 -6.0757 -6.0757 -5.8355 -5.8355 -5.5359 -5.5359 -5.4351 -5.4351 -4.2218 -4.2218 -3.9268 -3.9268 -3.5187 -3.5187 -3.1758 -3.1758 -1.2751 -1.2751 -0.5793 -0.5793 2.8959 2.8959 2.9925 2.9925 k =-0.4438 0.3436-0.0000 ( 13124 PWs) bands (ev): -19.1650 -19.1650 -18.8770 -18.8770 -16.2603 -16.2603 -15.6385 -15.6385 -8.2219 -8.2219 -7.3341 -7.3341 -6.0705 -6.0705 -5.8520 -5.8520 -5.5521 -5.5521 -5.4453 -5.4453 -4.2001 -4.2001 -3.9177 -3.9177 -3.5084 -3.5084 -3.1826 -3.1826 -1.2717 -1.2717 -0.5846 -0.5846 2.9271 2.9271 3.0087 3.0087 k =-0.4367 0.3698-0.0000 ( 13116 PWs) bands (ev): -19.1604 -19.1604 -18.8771 -18.8771 -16.2566 -16.2566 -15.6463 -15.6463 -8.2234 -8.2234 -7.3499 -7.3499 -6.0647 -6.0647 -5.8696 -5.8696 -5.5688 -5.5688 -5.4550 -5.4550 -4.1784 -4.1784 -3.9078 -3.9078 -3.4990 -3.4990 -3.1902 -3.1902 -1.2664 -1.2664 -0.5896 -0.5896 2.9617 2.9617 3.0270 3.0270 k =-0.4297 0.3959-0.0000 ( 13104 PWs) bands (ev): -19.1554 -19.1554 -18.8773 -18.8773 -16.2525 -16.2525 -15.6549 -15.6549 -8.2249 -8.2249 -7.3677 -7.3677 -6.0585 -6.0585 -5.8879 -5.8879 -5.5856 -5.5856 -5.4639 -5.4639 -4.1575 -4.1575 -3.8972 -3.8972 -3.4909 -3.4909 -3.1986 -3.1986 -1.2587 -1.2587 -0.5941 -0.5941 2.9995 2.9995 3.0475 3.0476 k =-0.4227 0.4221-0.0000 ( 13098 PWs) bands (ev): -19.1499 -19.1499 -18.8776 -18.8776 -16.2479 -16.2479 -15.6642 -15.6642 -8.2265 -8.2265 -7.3874 -7.3874 -6.0521 -6.0521 -5.9064 -5.9064 -5.6024 -5.6024 -5.4719 -5.4719 -4.1376 -4.1376 -3.8861 -3.8861 -3.4848 -3.4848 -3.2078 -3.2078 -1.2481 -1.2481 -0.5979 -0.5979 3.0398 3.0398 3.0706 3.0706 k =-0.4157 0.4482-0.0000 ( 13094 PWs) bands (ev): -19.1440 -19.1440 -18.8779 -18.8779 -16.2430 -16.2430 -15.6743 -15.6743 -8.2280 -8.2280 -7.4091 -7.4091 -6.0455 -6.0455 -5.9245 -5.9245 -5.6189 -5.6189 -5.4789 -5.4789 -4.1191 -4.1191 -3.8748 -3.8748 -3.4810 -3.4810 -3.2178 -3.2178 -1.2345 -1.2345 -0.6007 -0.6007 3.0802 3.0802 3.0984 3.0984 k =-0.4086 0.4744-0.0000 ( 13104 PWs) bands (ev): -19.1377 -19.1377 -18.8784 -18.8784 -16.2376 -16.2376 -15.6850 -15.6850 -8.2296 -8.2296 -7.4325 -7.4325 -6.0390 -6.0390 -5.9416 -5.9416 -5.6346 -5.6346 -5.4851 -5.4851 -4.1022 -4.1022 -3.8634 -3.8634 -3.4798 -3.4798 -3.2286 -3.2286 -1.2177 -1.2177 -0.6024 -0.6024 3.1135 3.1135 3.1379 3.1379 k =-0.4016 0.5005-0.0000 ( 13090 PWs) bands (ev): -19.1310 -19.1310 -18.8789 -18.8789 -16.2318 -16.2318 -15.6964 -15.6964 -8.2310 -8.2310 -7.4576 -7.4576 -6.0329 -6.0329 -5.9572 -5.9572 -5.6495 -5.6495 -5.4905 -5.4905 -4.0868 -4.0868 -3.8525 -3.8525 -3.4813 -3.4813 -3.2402 -3.2402 -1.1974 -1.1974 -0.6027 -0.6027 3.1427 3.1427 3.1859 3.1859 k =-0.3946 0.5267-0.0000 ( 13108 PWs) bands (ev): -19.1239 -19.1239 -18.8797 -18.8797 -16.2255 -16.2255 -15.7084 -15.7084 -8.2323 -8.2323 -7.4844 -7.4844 -6.0280 -6.0280 -5.9703 -5.9703 -5.6632 -5.6632 -5.4952 -5.4952 -4.0731 -4.0731 -3.8421 -3.8421 -3.4856 -3.4856 -3.2526 -3.2526 -1.1739 -1.1739 -0.6017 -0.6017 3.1722 3.1722 3.2378 3.2378 k =-0.3875 0.5528-0.0000 ( 13120 PWs) bands (ev): -19.1165 -19.1165 -18.8806 -18.8806 -16.2189 -16.2189 -15.7210 -15.7210 -8.2333 -8.2333 -7.5126 -7.5126 -6.0253 -6.0253 -5.9798 -5.9798 -5.6754 -5.6754 -5.4994 -5.4994 -4.0609 -4.0609 -3.8326 -3.8326 -3.4925 -3.4925 -3.2658 -3.2658 -1.1471 -1.1471 -0.5993 -0.5993 3.2029 3.2029 3.2924 3.2924 k =-0.3805 0.5790-0.0000 ( 13144 PWs) bands (ev): -19.1089 -19.1089 -18.8817 -18.8817 -16.2118 -16.2118 -15.7340 -15.7340 -8.2341 -8.2341 -7.5421 -7.5421 -6.0261 -6.0261 -5.9843 -5.9843 -5.6860 -5.6860 -5.5031 -5.5031 -4.0501 -4.0501 -3.8243 -3.8243 -3.5020 -3.5020 -3.2798 -3.2798 -1.1174 -1.1174 -0.5954 -0.5954 3.2349 3.2349 3.3495 3.3495 k =-0.3735 0.6051-0.0000 ( 13130 PWs) bands (ev): -19.1009 -19.1009 -18.8830 -18.8830 -16.2043 -16.2043 -15.7476 -15.7476 -8.2345 -8.2345 -7.5728 -7.5728 -6.0301 -6.0301 -5.9842 -5.9842 -5.6948 -5.6948 -5.5066 -5.5066 -4.0407 -4.0407 -3.8173 -3.8173 -3.5136 -3.5136 -3.2945 -3.2945 -1.0850 -1.0850 -0.5902 -0.5902 3.2680 3.2680 3.4090 3.4090 k =-0.3665 0.6313-0.0000 ( 13120 PWs) bands (ev): -19.0927 -19.0927 -18.8845 -18.8845 -16.1965 -16.1965 -15.7615 -15.7615 -8.2344 -8.2344 -7.6043 -7.6043 -6.0353 -6.0353 -5.9816 -5.9816 -5.7015 -5.7015 -5.5099 -5.5099 -4.0325 -4.0325 -3.8117 -3.8117 -3.5269 -3.5269 -3.3098 -3.3098 -1.0503 -1.0503 -0.5837 -0.5837 3.3022 3.3022 3.4708 3.4708 k =-0.3594 0.6574-0.0000 ( 13120 PWs) bands (ev): -19.0844 -19.0844 -18.8862 -18.8862 -16.1882 -16.1882 -15.7758 -15.7758 -8.2337 -8.2337 -7.6366 -7.6366 -6.0403 -6.0403 -5.9780 -5.9780 -5.7062 -5.7062 -5.5132 -5.5132 -4.0255 -4.0255 -3.8077 -3.8077 -3.5414 -3.5414 -3.3258 -3.3258 -1.0137 -1.0137 -0.5761 -0.5761 3.3374 3.3374 3.5347 3.5347 k =-0.3524 0.6836-0.0000 ( 13122 PWs) bands (ev): -19.0758 -19.0758 -18.8883 -18.8883 -16.1795 -16.1795 -15.7904 -15.7904 -8.2324 -8.2324 -7.6694 -7.6694 -6.0443 -6.0443 -5.9745 -5.9745 -5.7088 -5.7088 -5.5165 -5.5165 -4.0195 -4.0195 -3.8054 -3.8054 -3.5567 -3.5567 -3.3422 -3.3422 -0.9758 -0.9758 -0.5678 -0.5678 3.3734 3.3734 3.6008 3.6008 k =-0.3454 0.7097-0.0000 ( 13138 PWs) bands (ev): -19.0672 -19.0672 -18.8906 -18.8906 -16.1704 -16.1704 -15.8052 -15.8052 -8.2304 -8.2304 -7.7024 -7.7024 -6.0470 -6.0470 -5.9714 -5.9714 -5.7093 -5.7093 -5.5200 -5.5200 -4.0145 -4.0145 -3.8051 -3.8051 -3.5719 -3.5719 -3.3590 -3.3590 -0.9369 -0.9369 -0.5588 -0.5588 3.4100 3.4100 3.6689 3.6689 k =-0.3383 0.7359-0.0000 ( 13130 PWs) bands (ev): -19.0584 -19.0584 -18.8931 -18.8931 -16.1610 -16.1610 -15.8203 -15.8203 -8.2276 -8.2276 -7.7355 -7.7355 -6.0483 -6.0483 -5.9690 -5.9690 -5.7079 -5.7079 -5.5237 -5.5237 -4.0103 -4.0103 -3.8068 -3.8068 -3.5863 -3.5863 -3.3760 -3.3760 -0.8977 -0.8977 -0.5495 -0.5495 3.4471 3.4471 3.7390 3.7390 k =-0.3313 0.7621-0.0000 ( 13132 PWs) bands (ev): -19.0496 -19.0496 -18.8960 -18.8960 -16.1511 -16.1511 -15.8355 -15.8355 -8.2238 -8.2238 -7.7685 -7.7685 -6.0483 -6.0483 -5.9673 -5.9673 -5.7047 -5.7047 -5.5276 -5.5276 -4.0069 -4.0069 -3.8107 -3.8107 -3.5993 -3.5993 -3.3932 -3.3932 -0.8585 -0.8585 -0.5401 -0.5401 3.4846 3.4846 3.8110 3.8110 k =-0.3243 0.7882-0.0000 ( 13112 PWs) bands (ev): -19.0408 -19.0408 -18.8993 -18.8993 -16.1408 -16.1408 -15.8509 -15.8509 -8.2190 -8.2190 -7.8012 -7.8012 -6.0471 -6.0471 -5.9664 -5.9664 -5.6999 -5.6999 -5.5319 -5.5319 -4.0040 -4.0040 -3.8172 -3.8172 -3.6101 -3.6101 -3.4105 -3.4105 -0.8199 -0.8199 -0.5311 -0.5311 3.5223 3.5223 3.8849 3.8849 k =-0.3173 0.8144-0.0000 ( 13102 PWs) bands (ev): -19.0320 -19.0320 -18.9028 -18.9028 -16.1302 -16.1302 -15.8663 -15.8663 -8.2131 -8.2131 -7.8333 -7.8333 -6.0447 -6.0447 -5.9662 -5.9662 -5.6937 -5.6937 -5.5366 -5.5366 -4.0015 -4.0015 -3.8260 -3.8260 -3.6182 -3.6182 -3.4277 -3.4277 -0.7822 -0.7822 -0.5227 -0.5227 3.5602 3.5602 3.9606 3.9606 k =-0.3102 0.8405-0.0000 ( 13098 PWs) bands (ev): -19.0232 -19.0232 -18.9067 -18.9067 -16.1191 -16.1191 -15.8818 -15.8818 -8.2060 -8.2060 -7.8648 -7.8648 -6.0414 -6.0414 -5.9667 -5.9667 -5.6863 -5.6863 -5.5417 -5.5417 -3.9992 -3.9992 -3.8371 -3.8371 -3.6234 -3.6234 -3.4448 -3.4448 -0.7459 -0.7459 -0.5153 -0.5153 3.5980 3.5980 4.0380 4.0380 k =-0.3032 0.8667-0.0000 ( 13092 PWs) bands (ev): -19.0145 -19.0145 -18.9110 -18.9110 -16.1077 -16.1077 -15.8972 -15.8972 -8.1977 -8.1977 -7.8954 -7.8954 -6.0373 -6.0373 -5.9679 -5.9679 -5.6781 -5.6781 -5.5472 -5.5472 -3.9968 -3.9968 -3.8501 -3.8501 -3.6256 -3.6256 -3.4617 -3.4617 -0.7113 -0.7113 -0.5091 -0.5091 3.6359 3.6359 4.1170 4.1170 k =-0.2962 0.8928-0.0000 ( 13104 PWs) bands (ev): -19.0059 -19.0059 -18.9156 -18.9156 -16.0959 -16.0959 -15.9126 -15.9126 -8.1881 -8.1881 -7.9251 -7.9251 -6.0325 -6.0325 -5.9697 -5.9697 -5.6691 -5.6691 -5.5533 -5.5533 -3.9941 -3.9941 -3.8643 -3.8643 -3.6251 -3.6251 -3.4782 -3.4782 -0.6787 -0.6787 -0.5045 -0.5045 3.6739 3.6739 4.1973 4.1973 k =-0.2891 0.9190-0.0000 ( 13120 PWs) bands (ev): -18.9975 -18.9975 -18.9205 -18.9205 -16.0838 -16.0838 -15.9279 -15.9279 -8.1771 -8.1771 -7.9536 -7.9536 -6.0272 -6.0272 -5.9722 -5.9722 -5.6597 -5.6597 -5.5598 -5.5598 -3.9908 -3.9908 -3.8792 -3.8792 -3.6221 -3.6221 -3.4944 -3.4944 -0.6484 -0.6484 -0.5017 -0.5017 3.7118 3.7118 4.2739 4.2739 k =-0.2821 0.9451-0.0000 ( 13100 PWs) bands (ev): -18.9892 -18.9892 -18.9258 -18.9258 -16.0713 -16.0713 -15.9431 -15.9431 -8.1646 -8.1646 -7.9810 -7.9810 -6.0216 -6.0216 -5.9752 -5.9752 -5.6499 -5.6499 -5.5669 -5.5669 -3.9868 -3.9868 -3.8943 -3.8943 -3.6171 -3.6171 -3.5101 -3.5101 -0.6207 -0.6207 -0.5010 -0.5010 3.7500 3.7500 4.2476 4.2476 k =-0.2751 0.9713-0.0000 ( 13108 PWs) bands (ev): -18.9812 -18.9812 -18.9315 -18.9315 -16.0585 -16.0585 -15.9581 -15.9581 -8.1507 -8.1507 -8.0071 -8.0071 -6.0157 -6.0157 -5.9787 -5.9787 -5.6400 -5.6400 -5.5744 -5.5744 -3.9818 -3.9818 -3.9090 -3.9090 -3.6102 -3.6102 -3.5253 -3.5253 -0.5958 -0.5958 -0.5027 -0.5027 3.7884 3.7884 4.2234 4.2234 k =-0.2681 0.9974-0.0000 ( 13112 PWs) bands (ev): -18.9734 -18.9734 -18.9375 -18.9375 -16.0453 -16.0453 -15.9730 -15.9730 -8.1352 -8.1352 -8.0318 -8.0318 -6.0098 -6.0098 -5.9828 -5.9828 -5.6301 -5.6301 -5.5824 -5.5824 -3.9756 -3.9756 -3.9229 -3.9229 -3.6018 -3.6018 -3.5398 -3.5398 -0.5737 -0.5737 -0.5070 -0.5070 3.8273 3.8273 4.2015 4.2015 k =-0.2681 0.9974-0.0000 ( 13112 PWs) bands (ev): -18.9734 -18.9734 -18.9375 -18.9375 -16.0453 -16.0453 -15.9730 -15.9730 -8.1352 -8.1352 -8.0318 -8.0318 -6.0098 -6.0098 -5.9828 -5.9828 -5.6301 -5.6301 -5.5824 -5.5824 -3.9756 -3.9756 -3.9229 -3.9229 -3.6018 -3.6018 -3.5398 -3.5398 -0.5737 -0.5737 -0.5070 -0.5070 3.8273 3.8273 4.2015 4.2015 k =-0.2681 0.9974 0.0260 ( 13108 PWs) bands (ev): -18.9733 -18.9733 -18.9375 -18.9375 -16.0452 -16.0452 -15.9731 -15.9731 -8.1342 -8.1342 -8.0309 -8.0309 -6.0143 -6.0143 -5.9841 -5.9841 -5.6307 -5.6307 -5.5830 -5.5830 -3.9736 -3.9736 -3.9185 -3.9185 -3.6004 -3.6004 -3.5391 -3.5391 -0.5760 -0.5760 -0.5086 -0.5086 3.8288 3.8288 4.2028 4.2028 k =-0.2681 0.9974 0.0521 ( 13102 PWs) bands (ev): -18.9731 -18.9731 -18.9377 -18.9377 -16.0448 -16.0448 -15.9735 -15.9735 -8.1312 -8.1312 -8.0284 -8.0284 -6.0272 -6.0272 -5.9887 -5.9887 -5.6323 -5.6323 -5.5847 -5.5847 -3.9669 -3.9669 -3.9065 -3.9065 -3.5963 -3.5963 -3.5367 -3.5367 -0.5827 -0.5827 -0.5135 -0.5135 3.8333 3.8333 4.2065 4.2065 k =-0.2681 0.9974 0.0781 ( 13108 PWs) bands (ev): -18.9728 -18.9728 -18.9380 -18.9380 -16.0443 -16.0443 -15.9742 -15.9742 -8.1263 -8.1263 -8.0243 -8.0243 -6.0466 -6.0466 -5.9979 -5.9979 -5.6349 -5.6349 -5.5873 -5.5873 -3.9551 -3.9551 -3.8884 -3.8884 -3.5893 -3.5893 -3.5324 -3.5324 -0.5938 -0.5938 -0.5217 -0.5217 3.8407 3.8407 4.2126 4.2126 k =-0.2681 0.9974 0.1042 ( 13102 PWs) bands (ev): -18.9724 -18.9724 -18.9384 -18.9384 -16.0435 -16.0435 -15.9751 -15.9751 -8.1195 -8.1195 -8.0187 -8.0187 -6.0713 -6.0713 -6.0121 -6.0121 -5.6379 -5.6379 -5.5907 -5.5907 -3.9383 -3.9383 -3.8667 -3.8667 -3.5791 -3.5791 -3.5256 -3.5256 -0.6086 -0.6086 -0.5332 -0.5332 3.8509 3.8509 4.2209 4.2209 k =-0.2681 0.9974 0.1302 ( 13093 PWs) bands (ev): -18.9718 -18.9718 -18.9390 -18.9390 -16.0425 -16.0425 -15.9762 -15.9762 -8.1109 -8.1109 -8.0117 -8.0117 -6.1002 -6.1002 -6.0314 -6.0314 -5.6411 -5.6411 -5.5946 -5.5946 -3.9172 -3.9172 -3.8432 -3.8432 -3.5660 -3.5660 -3.5152 -3.5152 -0.6269 -0.6269 -0.5480 -0.5480 3.8640 3.8640 4.2311 4.2311 k =-0.2681 0.9974 0.1563 ( 13088 PWs) bands (ev): -18.9712 -18.9712 -18.9396 -18.9396 -16.0413 -16.0413 -15.9776 -15.9776 -8.1006 -8.1006 -8.0035 -8.0035 -6.1323 -6.1323 -6.0553 -6.0553 -5.6441 -5.6441 -5.5988 -5.5988 -3.8929 -3.8929 -3.8200 -3.8200 -3.5502 -3.5502 -3.5000 -3.5000 -0.6482 -0.6482 -0.5659 -0.5659 3.8798 3.8798 4.2430 4.2430 k =-0.2681 0.9974 0.1823 ( 13096 PWs) bands (ev): -18.9704 -18.9704 -18.9404 -18.9404 -16.0398 -16.0398 -15.9793 -15.9793 -8.0888 -8.0888 -7.9943 -7.9943 -6.1666 -6.1666 -6.0834 -6.0834 -5.6468 -5.6468 -5.6031 -5.6031 -3.8671 -3.8671 -3.7985 -3.7985 -3.5323 -3.5323 -3.4788 -3.4788 -0.6717 -0.6717 -0.5866 -0.5866 3.8982 3.8982 4.2559 4.2559 k =-0.2681 0.9974 0.2084 ( 13099 PWs) bands (ev): -18.9696 -18.9696 -18.9412 -18.9412 -16.0382 -16.0382 -15.9811 -15.9811 -8.0757 -8.0757 -7.9843 -7.9843 -6.2021 -6.2021 -6.1148 -6.1148 -5.6491 -5.6491 -5.6073 -5.6073 -3.8415 -3.8415 -3.7795 -3.7795 -3.5120 -3.5120 -3.4515 -3.4515 -0.6969 -0.6969 -0.6099 -0.6099 3.9191 3.9191 4.2693 4.2693 k =-0.2681 0.9974 0.2344 ( 13099 PWs) bands (ev): -18.9686 -18.9686 -18.9422 -18.9422 -16.0364 -16.0364 -15.9832 -15.9832 -8.0614 -8.0614 -7.9740 -7.9740 -6.2377 -6.2377 -6.1486 -6.1486 -5.6508 -5.6508 -5.6114 -5.6114 -3.8178 -3.8178 -3.7632 -3.7632 -3.4887 -3.4887 -3.4195 -3.4195 -0.7231 -0.7231 -0.6353 -0.6353 3.9422 3.9422 4.2826 4.2826 k =-0.2681 0.9974 0.2605 ( 13100 PWs) bands (ev): -18.9675 -18.9675 -18.9432 -18.9432 -16.0344 -16.0344 -15.9854 -15.9854 -8.0463 -8.0463 -7.9635 -7.9635 -6.2724 -6.2724 -6.1839 -6.1839 -5.6519 -5.6519 -5.6153 -5.6153 -3.7971 -3.7971 -3.7497 -3.7497 -3.4618 -3.4618 -3.3846 -3.3846 -0.7495 -0.7495 -0.6624 -0.6624 3.9674 3.9674 4.2948 4.2948 k =-0.2681 0.9974 0.2865 ( 13087 PWs) bands (ev): -18.9664 -18.9664 -18.9443 -18.9443 -16.0322 -16.0322 -15.9878 -15.9878 -8.0306 -8.0306 -7.9534 -7.9534 -6.3055 -6.3055 -6.2198 -6.2198 -5.6525 -5.6525 -5.6190 -5.6190 -3.7799 -3.7799 -3.7387 -3.7387 -3.4312 -3.4312 -3.3489 -3.3489 -0.7753 -0.7753 -0.6905 -0.6905 3.9944 3.9944 4.3049 4.3049 k =-0.2681 0.9974 0.3126 ( 13074 PWs) bands (ev): -18.9652 -18.9652 -18.9455 -18.9455 -16.0299 -16.0299 -15.9903 -15.9903 -8.0146 -8.0146 -7.9439 -7.9439 -6.3359 -6.3359 -6.2552 -6.2552 -5.6525 -5.6525 -5.6226 -5.6226 -3.7660 -3.7660 -3.7303 -3.7303 -3.3979 -3.3979 -3.3142 -3.3142 -0.7996 -0.7996 -0.7191 -0.7191 4.0230 4.0230 4.3120 4.3120 k =-0.2681 0.9974 0.3386 ( 13049 PWs) bands (ev): -18.9639 -18.9639 -18.9468 -18.9468 -16.0275 -16.0275 -15.9930 -15.9930 -7.9987 -7.9987 -7.9356 -7.9356 -6.3629 -6.3629 -6.2893 -6.2893 -5.6521 -5.6521 -5.6259 -5.6259 -3.7549 -3.7549 -3.7241 -3.7241 -3.3631 -3.3631 -3.2822 -3.2822 -0.8217 -0.8217 -0.7473 -0.7473 4.0528 4.0528 4.3151 4.3151 k =-0.2681 0.9974 0.3647 ( 13051 PWs) bands (ev): -18.9626 -18.9626 -18.9481 -18.9481 -16.0249 -16.0249 -15.9958 -15.9958 -7.9833 -7.9833 -7.9287 -7.9287 -6.3857 -6.3857 -6.3212 -6.3212 -5.6513 -5.6513 -5.6291 -5.6291 -3.7459 -3.7459 -3.7199 -3.7199 -3.3286 -3.3286 -3.2544 -3.2544 -0.8406 -0.8406 -0.7745 -0.7745 4.0835 4.0835 4.3135 4.3135 k =-0.2681 0.9974 0.3907 ( 13051 PWs) bands (ev): -18.9612 -18.9612 -18.9495 -18.9495 -16.0222 -16.0222 -15.9986 -15.9986 -7.9688 -7.9688 -7.9237 -7.9237 -6.4038 -6.4038 -6.3501 -6.3501 -5.6502 -5.6502 -5.6322 -5.6322 -3.7386 -3.7386 -3.7174 -3.7174 -3.2959 -3.2959 -3.2319 -3.2319 -0.8557 -0.8557 -0.7997 -0.7997 4.1146 4.1146 4.3067 4.3067 k =-0.2681 0.9974 0.4167 ( 13051 PWs) bands (ev): -18.9598 -18.9598 -18.9509 -18.9509 -16.0194 -16.0194 -16.0015 -16.0015 -7.9556 -7.9556 -7.9209 -7.9209 -6.4167 -6.4167 -6.3751 -6.3751 -5.6487 -5.6487 -5.6351 -5.6351 -3.7326 -3.7326 -3.7164 -3.7164 -3.2666 -3.2666 -3.2156 -3.2156 -0.8662 -0.8662 -0.8223 -0.8223 4.1456 4.1456 4.2947 4.2947 k =-0.2681 0.9974 0.4428 ( 13061 PWs) bands (ev): -18.9584 -18.9584 -18.9523 -18.9523 -16.0165 -16.0165 -16.0045 -16.0045 -7.9440 -7.9440 -7.9205 -7.9205 -6.4239 -6.4239 -6.3958 -6.3958 -5.6470 -5.6470 -5.6378 -5.6378 -3.7277 -3.7277 -3.7166 -3.7166 -3.2418 -3.2418 -3.2063 -3.2063 -0.8718 -0.8718 -0.8414 -0.8414 4.1761 4.1761 4.2780 4.2780 k =-0.2681 0.9974 0.4688 ( 13061 PWs) bands (ev): -18.9569 -18.9569 -18.9537 -18.9537 -16.0136 -16.0136 -16.0075 -16.0075 -7.9344 -7.9344 -7.9227 -7.9227 -6.4253 -6.4253 -6.4114 -6.4114 -5.6450 -5.6450 -5.6404 -5.6404 -3.7237 -3.7237 -3.7179 -3.7179 -3.2228 -3.2228 -3.2042 -3.2042 -0.8721 -0.8721 -0.8563 -0.8563 4.2052 4.2052 4.2570 4.2570 k =-0.2681 0.9974 0.4949 ( 13056 PWs) bands (ev): -18.9559 -18.9559 -18.9547 -18.9547 -16.0110 -16.0110 -16.0101 -16.0101 -7.9277 -7.9277 -7.9269 -7.9269 -6.4217 -6.4217 -6.4208 -6.4208 -5.6432 -5.6432 -5.6423 -5.6423 -3.7208 -3.7208 -3.7200 -3.7200 -3.2103 -3.2103 -3.2096 -3.2096 -0.8672 -0.8672 -0.8664 -0.8664 4.2323 4.2323 4.2326 4.2326 k =-0.2681 0.9974 0.4949 ( 13056 PWs) bands (ev): -18.9559 -18.9559 -18.9547 -18.9547 -16.0110 -16.0110 -16.0101 -16.0101 -7.9277 -7.9277 -7.9269 -7.9269 -6.4217 -6.4217 -6.4208 -6.4208 -5.6432 -5.6432 -5.6423 -5.6423 -3.7208 -3.7208 -3.7200 -3.7200 -3.2103 -3.2103 -3.2096 -3.2096 -0.8672 -0.8672 -0.8664 -0.8664 4.2323 4.2323 4.2326 4.2326 k =-0.2751 0.9713 0.4949 ( 13056 PWs) bands (ev): -18.9570 -18.9570 -18.9558 -18.9558 -16.0101 -16.0101 -16.0091 -16.0091 -7.9277 -7.9277 -7.9268 -7.9268 -6.4107 -6.4107 -6.4098 -6.4098 -5.6451 -5.6451 -5.6442 -5.6442 -3.7206 -3.7206 -3.7198 -3.7198 -3.2191 -3.2191 -3.2183 -3.2183 -0.8636 -0.8636 -0.8628 -0.8628 4.2010 4.2010 4.2013 4.2013 k =-0.2821 0.9451 0.4949 ( 13066 PWs) bands (ev): -18.9584 -18.9584 -18.9573 -18.9573 -16.0088 -16.0088 -16.0079 -16.0079 -7.9275 -7.9275 -7.9267 -7.9267 -6.3962 -6.3962 -6.3954 -6.3954 -5.6476 -5.6476 -5.6466 -5.6466 -3.7205 -3.7205 -3.7197 -3.7197 -3.2305 -3.2305 -3.2297 -3.2297 -0.8590 -0.8590 -0.8583 -0.8583 4.1686 4.1686 4.1688 4.1688 k =-0.2891 0.9190 0.4949 ( 13066 PWs) bands (ev): -18.9602 -18.9602 -18.9590 -18.9590 -16.0073 -16.0073 -16.0063 -16.0063 -7.9272 -7.9272 -7.9264 -7.9264 -6.3786 -6.3786 -6.3777 -6.3777 -5.6505 -5.6505 -5.6496 -5.6496 -3.7206 -3.7206 -3.7198 -3.7198 -3.2442 -3.2442 -3.2434 -3.2434 -0.8538 -0.8538 -0.8530 -0.8530 4.1351 4.1351 4.1353 4.1353 k =-0.2962 0.8928 0.4949 ( 13066 PWs) bands (ev): -18.9623 -18.9623 -18.9611 -18.9611 -16.0055 -16.0055 -16.0045 -16.0045 -7.9268 -7.9268 -7.9260 -7.9260 -6.3578 -6.3578 -6.3569 -6.3569 -5.6538 -5.6538 -5.6529 -5.6529 -3.7209 -3.7209 -3.7201 -3.7201 -3.2600 -3.2600 -3.2592 -3.2592 -0.8480 -0.8480 -0.8473 -0.8473 4.1007 4.1007 4.1009 4.1009 k =-0.3032 0.8667 0.4949 ( 13078 PWs) bands (ev): -18.9646 -18.9646 -18.9634 -18.9634 -16.0034 -16.0034 -16.0024 -16.0024 -7.9261 -7.9261 -7.9253 -7.9253 -6.3341 -6.3341 -6.3332 -6.3332 -5.6575 -5.6575 -5.6566 -5.6566 -3.7216 -3.7216 -3.7208 -3.7208 -3.2776 -3.2776 -3.2768 -3.2768 -0.8421 -0.8421 -0.8414 -0.8414 4.0655 4.0655 4.0657 4.0657 k =-0.3102 0.8405 0.4949 ( 13094 PWs) bands (ev): -18.9673 -18.9673 -18.9661 -18.9661 -16.0011 -16.0011 -16.0001 -16.0001 -7.9251 -7.9251 -7.9243 -7.9243 -6.3077 -6.3077 -6.3069 -6.3069 -5.6614 -5.6614 -5.6605 -5.6605 -3.7229 -3.7229 -3.7221 -3.7221 -3.2966 -3.2966 -3.2959 -3.2959 -0.8362 -0.8362 -0.8355 -0.8355 4.0298 4.0298 4.0300 4.0300 k =-0.3173 0.8144 0.4949 ( 13094 PWs) bands (ev): -18.9701 -18.9701 -18.9690 -18.9690 -15.9986 -15.9986 -15.9976 -15.9976 -7.9237 -7.9237 -7.9229 -7.9229 -6.2790 -6.2790 -6.2781 -6.2781 -5.6654 -5.6654 -5.6645 -5.6645 -3.7251 -3.7251 -3.7243 -3.7243 -3.3167 -3.3167 -3.3159 -3.3159 -0.8306 -0.8306 -0.8299 -0.8299 3.9936 3.9936 3.9938 3.9938 k =-0.3243 0.7882 0.4949 ( 13112 PWs) bands (ev): -18.9733 -18.9733 -18.9721 -18.9721 -15.9959 -15.9959 -15.9949 -15.9949 -7.9220 -7.9220 -7.9212 -7.9212 -6.2481 -6.2481 -6.2473 -6.2473 -5.6693 -5.6693 -5.6684 -5.6684 -3.7283 -3.7283 -3.7276 -3.7276 -3.3373 -3.3373 -3.3365 -3.3365 -0.8256 -0.8256 -0.8249 -0.8249 3.9571 3.9571 3.9573 3.9573 k =-0.3313 0.7621 0.4949 ( 13110 PWs) bands (ev): -18.9766 -18.9766 -18.9754 -18.9754 -15.9930 -15.9930 -15.9920 -15.9920 -7.9198 -7.9198 -7.9190 -7.9190 -6.2155 -6.2155 -6.2146 -6.2146 -5.6730 -5.6730 -5.6721 -5.6721 -3.7330 -3.7330 -3.7322 -3.7322 -3.3579 -3.3579 -3.3572 -3.3572 -0.8216 -0.8216 -0.8209 -0.8209 3.9206 3.9206 3.9208 3.9208 k =-0.3383 0.7359 0.4949 ( 13106 PWs) bands (ev): -18.9801 -18.9801 -18.9789 -18.9789 -15.9900 -15.9900 -15.9890 -15.9890 -7.9172 -7.9172 -7.9164 -7.9164 -6.1815 -6.1815 -6.1807 -6.1807 -5.6763 -5.6763 -5.6754 -5.6754 -3.7394 -3.7394 -3.7386 -3.7386 -3.3781 -3.3781 -3.3774 -3.3774 -0.8186 -0.8186 -0.8179 -0.8179 3.8842 3.8842 3.8844 3.8844 k =-0.3454 0.7097 0.4949 ( 13110 PWs) bands (ev): -18.9837 -18.9837 -18.9825 -18.9825 -15.9868 -15.9868 -15.9859 -15.9859 -7.9141 -7.9141 -7.9133 -7.9133 -6.1467 -6.1467 -6.1458 -6.1458 -5.6788 -5.6788 -5.6779 -5.6779 -3.7478 -3.7478 -3.7470 -3.7470 -3.3973 -3.3973 -3.3966 -3.3966 -0.8171 -0.8171 -0.8164 -0.8164 3.8481 3.8481 3.8483 3.8483 k =-0.3524 0.6836 0.4949 ( 13110 PWs) bands (ev): -18.9874 -18.9874 -18.9862 -18.9862 -15.9836 -15.9836 -15.9826 -15.9826 -7.9105 -7.9105 -7.9097 -7.9097 -6.1115 -6.1115 -6.1106 -6.1106 -5.6801 -5.6801 -5.6792 -5.6792 -3.7586 -3.7586 -3.7578 -3.7578 -3.4150 -3.4150 -3.4143 -3.4143 -0.8171 -0.8171 -0.8165 -0.8165 3.8125 3.8125 3.8127 3.8127 k =-0.3594 0.6574 0.4949 ( 13112 PWs) bands (ev): -18.9913 -18.9913 -18.9901 -18.9901 -15.9803 -15.9803 -15.9793 -15.9793 -7.9064 -7.9064 -7.9056 -7.9056 -6.0766 -6.0766 -6.0758 -6.0758 -5.6799 -5.6799 -5.6790 -5.6790 -3.7720 -3.7720 -3.7712 -3.7712 -3.4309 -3.4309 -3.4301 -3.4301 -0.8189 -0.8189 -0.8182 -0.8182 3.7775 3.7775 3.7777 3.7777 k =-0.3665 0.6313 0.4949 ( 13108 PWs) bands (ev): -18.9951 -18.9951 -18.9940 -18.9940 -15.9770 -15.9770 -15.9760 -15.9760 -7.9018 -7.9018 -7.9010 -7.9010 -6.0429 -6.0429 -6.0420 -6.0420 -5.6774 -5.6774 -5.6765 -5.6765 -3.7880 -3.7880 -3.7872 -3.7872 -3.4445 -3.4445 -3.4438 -3.4438 -0.8225 -0.8225 -0.8218 -0.8218 3.7433 3.7433 3.7434 3.7434 k =-0.3735 0.6051 0.4949 ( 13120 PWs) bands (ev): -18.9991 -18.9991 -18.9979 -18.9979 -15.9736 -15.9736 -15.9727 -15.9727 -7.8967 -7.8967 -7.8960 -7.8960 -6.0112 -6.0112 -6.0104 -6.0104 -5.6720 -5.6720 -5.6711 -5.6711 -3.8066 -3.8066 -3.8059 -3.8059 -3.4560 -3.4560 -3.4552 -3.4552 -0.8280 -0.8280 -0.8273 -0.8273 3.7099 3.7099 3.7100 3.7100 k =-0.3805 0.5790 0.4949 ( 13126 PWs) bands (ev): -19.0030 -19.0030 -19.0018 -19.0018 -15.9703 -15.9703 -15.9693 -15.9693 -7.8913 -7.8913 -7.8905 -7.8905 -5.9826 -5.9826 -5.9818 -5.9818 -5.6629 -5.6629 -5.6620 -5.6620 -3.8276 -3.8276 -3.8268 -3.8268 -3.4652 -3.4652 -3.4644 -3.4644 -0.8354 -0.8354 -0.8347 -0.8347 3.6775 3.6775 3.6776 3.6776 k =-0.3875 0.5528 0.4949 ( 13124 PWs) bands (ev): -19.0068 -19.0068 -19.0057 -19.0057 -15.9670 -15.9670 -15.9660 -15.9660 -7.8855 -7.8855 -7.8848 -7.8848 -5.9580 -5.9580 -5.9571 -5.9571 -5.6494 -5.6494 -5.6486 -5.6486 -3.8505 -3.8505 -3.8498 -3.8498 -3.4724 -3.4724 -3.4716 -3.4716 -0.8445 -0.8445 -0.8439 -0.8439 3.6460 3.6460 3.6461 3.6461 k =-0.3946 0.5267 0.4949 ( 13100 PWs) bands (ev): -19.0106 -19.0106 -19.0095 -19.0095 -15.9638 -15.9638 -15.9628 -15.9628 -7.8794 -7.8794 -7.8787 -7.8787 -5.9380 -5.9380 -5.9371 -5.9371 -5.6312 -5.6312 -5.6303 -5.6303 -3.8750 -3.8750 -3.8743 -3.8743 -3.4778 -3.4778 -3.4771 -3.4771 -0.8554 -0.8554 -0.8548 -0.8548 3.6155 3.6155 3.6157 3.6157 k =-0.4016 0.5005 0.4949 ( 13112 PWs) bands (ev): -19.0143 -19.0143 -19.0132 -19.0132 -15.9606 -15.9606 -15.9597 -15.9597 -7.8732 -7.8732 -7.8724 -7.8724 -5.9227 -5.9227 -5.9218 -5.9218 -5.6083 -5.6083 -5.6074 -5.6074 -3.9006 -3.9006 -3.8999 -3.8999 -3.4818 -3.4818 -3.4810 -3.4810 -0.8678 -0.8678 -0.8672 -0.8672 3.5860 3.5860 3.5861 3.5861 k =-0.4086 0.4744 0.4949 ( 13108 PWs) bands (ev): -19.0179 -19.0179 -19.0167 -19.0167 -15.9576 -15.9576 -15.9567 -15.9567 -7.8667 -7.8667 -7.8659 -7.8659 -5.9118 -5.9118 -5.9109 -5.9109 -5.5814 -5.5814 -5.5806 -5.5806 -3.9269 -3.9269 -3.9261 -3.9261 -3.4845 -3.4845 -3.4837 -3.4837 -0.8816 -0.8816 -0.8809 -0.8809 3.5573 3.5573 3.5574 3.5574 k =-0.4157 0.4482 0.4949 ( 13120 PWs) bands (ev): -19.0214 -19.0214 -19.0202 -19.0202 -15.9547 -15.9547 -15.9538 -15.9538 -7.8602 -7.8602 -7.8595 -7.8595 -5.9044 -5.9044 -5.9036 -5.9036 -5.5516 -5.5516 -5.5508 -5.5508 -3.9533 -3.9533 -3.9525 -3.9525 -3.4863 -3.4863 -3.4855 -3.4855 -0.8963 -0.8963 -0.8957 -0.8957 3.5296 3.5296 3.5297 3.5297 k =-0.4227 0.4221 0.4949 ( 13120 PWs) bands (ev): -19.0246 -19.0246 -19.0234 -19.0234 -15.9520 -15.9520 -15.9510 -15.9510 -7.8538 -7.8538 -7.8530 -7.8530 -5.8999 -5.8999 -5.8990 -5.8990 -5.5200 -5.5200 -5.5192 -5.5192 -3.9795 -3.9795 -3.9787 -3.9787 -3.4873 -3.4873 -3.4866 -3.4866 -0.9118 -0.9118 -0.9111 -0.9111 3.5034 3.5034 3.5035 3.5035 k =-0.4297 0.3959 0.4949 ( 13110 PWs) bands (ev): -19.0277 -19.0277 -19.0265 -19.0265 -15.9494 -15.9494 -15.9485 -15.9485 -7.8475 -7.8475 -7.8467 -7.8467 -5.8974 -5.8974 -5.8965 -5.8965 -5.4877 -5.4877 -5.4868 -5.4868 -4.0051 -4.0051 -4.0043 -4.0043 -3.4878 -3.4878 -3.4871 -3.4871 -0.9276 -0.9276 -0.9270 -0.9270 3.4790 3.4790 3.4792 3.4792 k =-0.4367 0.3698 0.4949 ( 13110 PWs) bands (ev): -19.0305 -19.0305 -19.0293 -19.0293 -15.9470 -15.9470 -15.9461 -15.9461 -7.8414 -7.8414 -7.8406 -7.8406 -5.8964 -5.8964 -5.8955 -5.8955 -5.4555 -5.4555 -5.4547 -5.4547 -4.0297 -4.0297 -4.0289 -4.0289 -3.4879 -3.4879 -3.4871 -3.4871 -0.9435 -0.9435 -0.9428 -0.9428 3.4570 3.4570 3.4571 3.4571 k =-0.4438 0.3436 0.4949 ( 13130 PWs) bands (ev): -19.0331 -19.0331 -19.0319 -19.0319 -15.9449 -15.9449 -15.9439 -15.9439 -7.8357 -7.8357 -7.8349 -7.8349 -5.8963 -5.8963 -5.8954 -5.8954 -5.4245 -5.4245 -5.4236 -5.4236 -4.0529 -4.0529 -4.0522 -4.0522 -3.4878 -3.4878 -3.4870 -3.4870 -0.9590 -0.9590 -0.9583 -0.9583 3.4373 3.4373 3.4375 3.4375 k =-0.4508 0.3174 0.4949 ( 13144 PWs) bands (ev): -19.0354 -19.0354 -19.0343 -19.0343 -15.9429 -15.9429 -15.9420 -15.9420 -7.8303 -7.8303 -7.8296 -7.8296 -5.8968 -5.8968 -5.8959 -5.8959 -5.3952 -5.3952 -5.3944 -5.3944 -4.0745 -4.0745 -4.0737 -4.0737 -3.4874 -3.4874 -3.4866 -3.4866 -0.9737 -0.9737 -0.9731 -0.9731 3.4201 3.4201 3.4203 3.4203 k =-0.4578 0.2913 0.4949 ( 13132 PWs) bands (ev): -19.0375 -19.0375 -19.0363 -19.0363 -15.9412 -15.9412 -15.9403 -15.9403 -7.8255 -7.8255 -7.8247 -7.8247 -5.8977 -5.8977 -5.8968 -5.8968 -5.3684 -5.3684 -5.3676 -5.3676 -4.0941 -4.0941 -4.0933 -4.0933 -3.4870 -3.4870 -3.4862 -3.4862 -0.9874 -0.9874 -0.9867 -0.9867 3.4054 3.4054 3.4056 3.4056 k =-0.4649 0.2651 0.4949 ( 13122 PWs) bands (ev): -19.0393 -19.0393 -19.0381 -19.0381 -15.9398 -15.9398 -15.9388 -15.9388 -7.8213 -7.8213 -7.8205 -7.8205 -5.8986 -5.8986 -5.8978 -5.8978 -5.3446 -5.3446 -5.3438 -5.3438 -4.1113 -4.1113 -4.1105 -4.1105 -3.4865 -3.4865 -3.4857 -3.4857 -0.9996 -0.9996 -0.9989 -0.9989 3.3930 3.3930 3.3932 3.3932 k =-0.4719 0.2390 0.4949 ( 13118 PWs) bands (ev): -19.0407 -19.0407 -19.0396 -19.0396 -15.9386 -15.9386 -15.9376 -15.9376 -7.8177 -7.8177 -7.8169 -7.8169 -5.8996 -5.8996 -5.8987 -5.8987 -5.3244 -5.3244 -5.3235 -5.3235 -4.1259 -4.1259 -4.1251 -4.1251 -3.4861 -3.4861 -3.4853 -3.4853 -1.0100 -1.0100 -1.0093 -1.0093 3.3830 3.3830 3.3832 3.3832 k =-0.4789 0.2128 0.4949 ( 13110 PWs) bands (ev): -19.0419 -19.0419 -19.0407 -19.0407 -15.9376 -15.9376 -15.9367 -15.9367 -7.8149 -7.8149 -7.8141 -7.8141 -5.9005 -5.9005 -5.8996 -5.8996 -5.3081 -5.3081 -5.3073 -5.3073 -4.1376 -4.1376 -4.1368 -4.1368 -3.4857 -3.4857 -3.4849 -3.4849 -1.0184 -1.0184 -1.0178 -1.0178 3.3752 3.3752 3.3754 3.3754 k =-0.4859 0.1867 0.4949 ( 13104 PWs) bands (ev): -19.0427 -19.0427 -19.0415 -19.0415 -15.9369 -15.9369 -15.9360 -15.9360 -7.8128 -7.8128 -7.8120 -7.8120 -5.9011 -5.9011 -5.9003 -5.9003 -5.2962 -5.2962 -5.2954 -5.2954 -4.1461 -4.1461 -4.1453 -4.1453 -3.4854 -3.4854 -3.4846 -3.4846 -1.0246 -1.0246 -1.0239 -1.0239 3.3698 3.3698 3.3699 3.3699 k =-0.4930 0.1605 0.4949 ( 13100 PWs) bands (ev): -19.0432 -19.0432 -19.0420 -19.0420 -15.9365 -15.9365 -15.9356 -15.9356 -7.8116 -7.8116 -7.8108 -7.8108 -5.9016 -5.9016 -5.9007 -5.9007 -5.2890 -5.2890 -5.2881 -5.2881 -4.1513 -4.1513 -4.1505 -4.1505 -3.4852 -3.4852 -3.4844 -3.4844 -1.0284 -1.0284 -1.0277 -1.0277 3.3665 3.3665 3.3667 3.3667 k =-0.5000 0.1344 0.4949 ( 13104 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9017 -5.9017 -5.9008 -5.9008 -5.2866 -5.2866 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4851 -3.4851 -3.4843 -3.4843 -1.0297 -1.0297 -1.0290 -1.0290 3.3654 3.3654 3.3656 3.3656 k =-0.5000 0.1344 0.4949 ( 13104 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9017 -5.9017 -5.9008 -5.9008 -5.2866 -5.2866 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4851 -3.4851 -3.4843 -3.4843 -1.0297 -1.0297 -1.0290 -1.0290 3.3654 3.3654 3.3656 3.3656 k =-0.5000 0.1344 0.4688 ( 13106 PWs) bands (ev): -19.0552 -19.0552 -19.0302 -19.0302 -15.9632 -15.9632 -15.9086 -15.9086 -7.8471 -7.8471 -7.7736 -7.7736 -5.9177 -5.9177 -5.8848 -5.8848 -5.3001 -5.3001 -5.2743 -5.2743 -4.1825 -4.1825 -4.1213 -4.1213 -3.5117 -3.5117 -3.4574 -3.4574 -1.0576 -1.0576 -0.9996 -0.9996 3.3211 3.3211 3.3534 3.3534 k =-0.5000 0.1344 0.4428 ( 13104 PWs) bands (ev): -19.0673 -19.0673 -19.0176 -19.0176 -15.9905 -15.9905 -15.8816 -15.8816 -7.8825 -7.8825 -7.7360 -7.7360 -5.9340 -5.9340 -5.8687 -5.8687 -5.3156 -5.3156 -5.2652 -5.2652 -4.2103 -4.2103 -4.0891 -4.0891 -3.5381 -3.5381 -3.4301 -3.4301 -1.0843 -1.0843 -0.9685 -0.9685 3.2760 3.2760 3.3099 3.3099 k =-0.5000 0.1344 0.4167 ( 13122 PWs) bands (ev): -19.0791 -19.0791 -19.0049 -19.0049 -16.0174 -16.0174 -15.8550 -15.8550 -7.9169 -7.9169 -7.6979 -7.6979 -5.9499 -5.9499 -5.8529 -5.8529 -5.3321 -5.3321 -5.2592 -5.2592 -4.2353 -4.2353 -4.0571 -4.0571 -3.5632 -3.5632 -3.4032 -3.4032 -1.1093 -1.1093 -0.9365 -0.9365 3.2315 3.2315 3.2679 3.2679 k =-0.5000 0.1344 0.3907 ( 13134 PWs) bands (ev): -19.0905 -19.0905 -18.9924 -18.9924 -16.0439 -16.0439 -15.8290 -15.8290 -7.9500 -7.9500 -7.6597 -7.6597 -5.9655 -5.9655 -5.8378 -5.8378 -5.3490 -5.3490 -5.2566 -5.2566 -4.2572 -4.2572 -4.0260 -4.0260 -3.5866 -3.5866 -3.3767 -3.3767 -1.1324 -1.1324 -0.9037 -0.9037 3.1878 3.1878 3.2282 3.2282 k =-0.5000 0.1344 0.3647 ( 13136 PWs) bands (ev): -19.1015 -19.1015 -18.9800 -18.9800 -16.0697 -16.0697 -15.8038 -15.8038 -7.9817 -7.9817 -7.6216 -7.6216 -5.9805 -5.9805 -5.8236 -5.8236 -5.3658 -5.3658 -5.2575 -5.2575 -4.2756 -4.2756 -3.9969 -3.9969 -3.6075 -3.6075 -3.3510 -3.3510 -1.1537 -1.1537 -0.8703 -0.8703 3.1449 3.1449 3.1910 3.1910 k =-0.5000 0.1344 0.3386 ( 13140 PWs) bands (ev): -19.1119 -19.1119 -18.9679 -18.9679 -16.0947 -16.0947 -15.7795 -15.7795 -8.0118 -8.0118 -7.5838 -7.5838 -5.9948 -5.9948 -5.8107 -5.8107 -5.3820 -5.3820 -5.2621 -5.2621 -4.2906 -4.2906 -3.9710 -3.9710 -3.6250 -3.6250 -3.3263 -3.3263 -1.1730 -1.1730 -0.8368 -0.8368 3.1032 3.1032 3.1563 3.1563 k =-0.5000 0.1344 0.3126 ( 13166 PWs) bands (ev): -19.1218 -19.1218 -18.9561 -18.9561 -16.1187 -16.1187 -15.7563 -15.7563 -8.0403 -8.0403 -7.5466 -7.5466 -6.0085 -6.0085 -5.7992 -5.7992 -5.3970 -5.3970 -5.2699 -5.2699 -4.3021 -4.3021 -3.9495 -3.9495 -3.6380 -3.6380 -3.3027 -3.3027 -1.1904 -1.1904 -0.8035 -0.8035 3.0628 3.0628 3.1242 3.1242 k =-0.5000 0.1344 0.2865 ( 13166 PWs) bands (ev): -19.1311 -19.1311 -18.9448 -18.9448 -16.1415 -16.1415 -15.7343 -15.7343 -8.0671 -8.0671 -7.5104 -7.5104 -6.0213 -6.0213 -5.7895 -5.7895 -5.4105 -5.4105 -5.2806 -5.2806 -4.3105 -4.3105 -3.9336 -3.9336 -3.6456 -3.6456 -3.2803 -3.2803 -1.2059 -1.2059 -0.7706 -0.7706 3.0241 3.0241 3.0946 3.0946 k =-0.5000 0.1344 0.2605 ( 13156 PWs) bands (ev): -19.1397 -19.1397 -18.9341 -18.9341 -16.1630 -16.1630 -15.7137 -15.7137 -8.0919 -8.0919 -7.4753 -7.4753 -6.0333 -6.0333 -5.7818 -5.7818 -5.4222 -5.4222 -5.2935 -5.2935 -4.3161 -4.3161 -3.9240 -3.9240 -3.6472 -3.6472 -3.2594 -3.2594 -1.2196 -1.2196 -0.7387 -0.7387 2.9874 2.9874 3.0677 3.0677 k =-0.5000 0.1344 0.2344 ( 13134 PWs) bands (ev): -19.1476 -19.1476 -18.9241 -18.9241 -16.1829 -16.1829 -15.6947 -15.6947 -8.1147 -8.1147 -7.4419 -7.4419 -6.0443 -6.0443 -5.7761 -5.7761 -5.4320 -5.4320 -5.3079 -5.3079 -4.3193 -4.3193 -3.9203 -3.9203 -3.6432 -3.6432 -3.2401 -3.2401 -1.2314 -1.2314 -0.7081 -0.7081 2.9528 2.9528 3.0433 3.0433 k =-0.5000 0.1344 0.2084 ( 13138 PWs) bands (ev): -19.1548 -19.1548 -18.9148 -18.9148 -16.2013 -16.2013 -15.6772 -15.6772 -8.1354 -8.1354 -7.4104 -7.4104 -6.0544 -6.0544 -5.7725 -5.7725 -5.4399 -5.4399 -5.3229 -5.3229 -4.3209 -4.3209 -3.9215 -3.9215 -3.6348 -3.6348 -3.2225 -3.2225 -1.2416 -1.2416 -0.6793 -0.6793 2.9208 2.9208 3.0214 3.0214 k =-0.5000 0.1344 0.1823 ( 13132 PWs) bands (ev): -19.1612 -19.1612 -18.9063 -18.9063 -16.2178 -16.2178 -15.6616 -15.6616 -8.1539 -8.1539 -7.3812 -7.3812 -6.0634 -6.0634 -5.7708 -5.7708 -5.4462 -5.4462 -5.3377 -5.3377 -4.3211 -4.3211 -3.9261 -3.9261 -3.6237 -3.6237 -3.2066 -3.2066 -1.2502 -1.2502 -0.6525 -0.6525 2.8916 2.8916 3.0022 3.0022 k =-0.5000 0.1344 0.1563 ( 13142 PWs) bands (ev): -19.1668 -19.1668 -18.8988 -18.8988 -16.2324 -16.2324 -15.6478 -15.6478 -8.1701 -8.1701 -7.3548 -7.3548 -6.0713 -6.0713 -5.7706 -5.7706 -5.4513 -5.4513 -5.3514 -5.3514 -4.3205 -4.3205 -3.9324 -3.9324 -3.6115 -3.6115 -3.1927 -3.1927 -1.2574 -1.2574 -0.6284 -0.6284 2.8656 2.8656 2.9854 2.9854 k =-0.5000 0.1344 0.1302 ( 13144 PWs) bands (ev): -19.1716 -19.1716 -18.8923 -18.8923 -16.2450 -16.2450 -15.6359 -15.6359 -8.1839 -8.1839 -7.3316 -7.3316 -6.0781 -6.0781 -5.7715 -5.7715 -5.4556 -5.4556 -5.3633 -5.3633 -4.3195 -4.3195 -3.9392 -3.9392 -3.5994 -3.5994 -3.1807 -3.1807 -1.2632 -1.2632 -0.6072 -0.6072 2.8430 2.8430 2.9713 2.9713 k =-0.5000 0.1344 0.1042 ( 13138 PWs) bands (ev): -19.1755 -19.1755 -18.8869 -18.8869 -16.2554 -16.2554 -15.6261 -15.6261 -8.1954 -8.1954 -7.3119 -7.3119 -6.0837 -6.0837 -5.7731 -5.7731 -5.4593 -5.4593 -5.3728 -5.3728 -4.3184 -4.3184 -3.9458 -3.9458 -3.5885 -3.5885 -3.1708 -3.1708 -1.2677 -1.2677 -0.5892 -0.5892 2.8240 2.8240 2.9597 2.9597 k =-0.5000 0.1344 0.0781 ( 13144 PWs) bands (ev): -19.1786 -19.1786 -18.8826 -18.8826 -16.2636 -16.2636 -15.6184 -15.6184 -8.2043 -8.2043 -7.2962 -7.2962 -6.0881 -6.0881 -5.7749 -5.7749 -5.4627 -5.4627 -5.3798 -5.3798 -4.3173 -4.3173 -3.9513 -3.9513 -3.5794 -3.5794 -3.1631 -3.1631 -1.2712 -1.2712 -0.5749 -0.5749 2.8090 2.8090 2.9507 2.9507 k =-0.5000 0.1344 0.0521 ( 13128 PWs) bands (ev): -19.1808 -19.1808 -18.8795 -18.8795 -16.2696 -16.2696 -15.6129 -15.6129 -8.2107 -8.2107 -7.2847 -7.2847 -6.0913 -6.0913 -5.7765 -5.7765 -5.4655 -5.4655 -5.3845 -5.3845 -4.3164 -4.3164 -3.9555 -3.9555 -3.5725 -3.5725 -3.1575 -3.1575 -1.2736 -1.2736 -0.5645 -0.5645 2.7982 2.7982 2.9442 2.9442 k =-0.5000 0.1344 0.0260 ( 13118 PWs) bands (ev): -19.1822 -19.1822 -18.8776 -18.8776 -16.2731 -16.2731 -15.6096 -15.6096 -8.2146 -8.2146 -7.2777 -7.2777 -6.0932 -6.0932 -5.7776 -5.7776 -5.4673 -5.4673 -5.3871 -5.3871 -4.3159 -4.3159 -3.9581 -3.9581 -3.5683 -3.5683 -3.1541 -3.1541 -1.2750 -1.2750 -0.5582 -0.5582 2.7916 2.7916 2.9404 2.9404 k =-0.5000 0.1344-0.0000 ( 13114 PWs) bands (ev): -19.1826 -19.1826 -18.8770 -18.8770 -16.2743 -16.2743 -15.6085 -15.6085 -8.2159 -8.2159 -7.2754 -7.2754 -6.0938 -6.0938 -5.7780 -5.7780 -5.4680 -5.4680 -5.3879 -5.3879 -4.3157 -4.3157 -3.9590 -3.9590 -3.5669 -3.5669 -3.1530 -3.1530 -1.2754 -1.2754 -0.5561 -0.5561 2.7894 2.7894 2.9391 2.9391 k = 0.0000 0.0000 0.4949 ( 13190 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9003 -5.9003 -5.8994 -5.8994 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4844 -3.4844 -3.4836 -3.4836 -1.0310 -1.0310 -1.0303 -1.0303 2.6239 2.6239 2.6241 2.6241 k =-0.0263 0.0071 0.4949 ( 13198 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9003 -5.9003 -5.8994 -5.8994 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4844 -3.4844 -3.4836 -3.4836 -1.0310 -1.0310 -1.0303 -1.0303 2.6257 2.6257 2.6267 2.6267 k =-0.0526 0.0141 0.4949 ( 13188 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9004 -5.9004 -5.8995 -5.8995 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4844 -3.4844 -3.4836 -3.4836 -1.0310 -1.0310 -1.0303 -1.0303 2.6319 2.6319 2.6338 2.6338 k =-0.0789 0.0212 0.4949 ( 13178 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9004 -5.9004 -5.8995 -5.8995 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4844 -3.4844 -3.4837 -3.4837 -1.0309 -1.0309 -1.0302 -1.0302 2.6425 2.6425 2.6453 2.6453 k =-0.1053 0.0283 0.4949 ( 13172 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9005 -5.9005 -5.8996 -5.8996 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4845 -3.4845 -3.4837 -3.4837 -1.0309 -1.0309 -1.0302 -1.0302 2.6575 2.6575 2.6612 2.6612 k =-0.1316 0.0354 0.4949 ( 13160 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9005 -5.9005 -5.8996 -5.8996 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4845 -3.4845 -3.4837 -3.4837 -1.0308 -1.0308 -1.0301 -1.0301 2.6768 2.6768 2.6815 2.6815 k =-0.1579 0.0424 0.4949 ( 13148 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9006 -5.9006 -5.8997 -5.8997 -5.2864 -5.2864 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4846 -3.4846 -3.4838 -3.4838 -1.0307 -1.0307 -1.0300 -1.0300 2.7005 2.7005 2.7062 2.7062 k =-0.1842 0.0495 0.4949 ( 13136 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9007 -5.9007 -5.8998 -5.8998 -5.2865 -5.2865 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4846 -3.4846 -3.4838 -3.4838 -1.0306 -1.0306 -1.0299 -1.0299 2.7285 2.7285 2.7351 2.7351 k =-0.2105 0.0566 0.4949 ( 13138 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9008 -5.9008 -5.8999 -5.8999 -5.2865 -5.2865 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4847 -3.4847 -3.4839 -3.4839 -1.0305 -1.0305 -1.0298 -1.0298 2.7608 2.7608 2.7683 2.7683 k =-0.2368 0.0637 0.4949 ( 13140 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9009 -5.9009 -5.9001 -5.9001 -5.2865 -5.2865 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4847 -3.4847 -3.4839 -3.4839 -1.0304 -1.0304 -1.0297 -1.0297 2.7973 2.7973 2.8057 2.8057 k =-0.2632 0.0707 0.4949 ( 13146 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9011 -5.9011 -5.9002 -5.9002 -5.2865 -5.2865 -5.2856 -5.2856 -4.1530 -4.1530 -4.1523 -4.1523 -3.4848 -3.4848 -3.4840 -3.4840 -1.0303 -1.0303 -1.0296 -1.0296 2.8379 2.8379 2.8472 2.8472 k =-0.2895 0.0778 0.4949 ( 13146 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8112 -7.8112 -7.8104 -7.8104 -5.9012 -5.9012 -5.9003 -5.9003 -5.2865 -5.2865 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4849 -3.4849 -3.4841 -3.4841 -1.0302 -1.0302 -1.0295 -1.0295 2.8826 2.8826 2.8928 2.8928 k =-0.3158 0.0849 0.4949 ( 13126 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8104 -7.8104 -5.9013 -5.9013 -5.9004 -5.9004 -5.2865 -5.2865 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4849 -3.4849 -3.4841 -3.4841 -1.0301 -1.0301 -1.0294 -1.0294 2.9313 2.9313 2.9424 2.9424 k =-0.3421 0.0919 0.4949 ( 13112 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8104 -7.8104 -5.9014 -5.9014 -5.9005 -5.9005 -5.2865 -5.2865 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4850 -3.4850 -3.4842 -3.4842 -1.0300 -1.0300 -1.0293 -1.0293 2.9839 2.9839 2.9959 2.9959 k =-0.3684 0.0990 0.4949 ( 13088 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9015 -5.9015 -5.9006 -5.9006 -5.2865 -5.2865 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4850 -3.4850 -3.4842 -3.4842 -1.0299 -1.0299 -1.0292 -1.0292 3.0402 3.0402 3.0532 3.0532 k =-0.3947 0.1061 0.4949 ( 13090 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9016 -5.9016 -5.9007 -5.9007 -5.2865 -5.2865 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4851 -3.4851 -3.4843 -3.4843 -1.0298 -1.0298 -1.0291 -1.0291 3.1003 3.1003 3.1142 3.1142 k =-0.4211 0.1132 0.4949 ( 13082 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9016 -5.9016 -5.9007 -5.9007 -5.2865 -5.2865 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4851 -3.4851 -3.4843 -3.4843 -1.0297 -1.0297 -1.0290 -1.0290 3.1639 3.1639 3.1786 3.1786 k =-0.4474 0.1202 0.4949 ( 13088 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9017 -5.9017 -5.9008 -5.9008 -5.2865 -5.2865 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4851 -3.4851 -3.4843 -3.4843 -1.0297 -1.0297 -1.0290 -1.0290 3.2307 3.2307 3.2464 3.2464 k =-0.4737 0.1273 0.4949 ( 13084 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9017 -5.9017 -5.9008 -5.9008 -5.2866 -5.2866 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4851 -3.4851 -3.4843 -3.4843 -1.0297 -1.0297 -1.0290 -1.0290 3.3003 3.3003 3.3167 3.3167 k =-0.5000 0.1344 0.4949 ( 13104 PWs) bands (ev): -19.0434 -19.0434 -19.0422 -19.0422 -15.9364 -15.9364 -15.9354 -15.9354 -7.8111 -7.8111 -7.8103 -7.8103 -5.9017 -5.9017 -5.9008 -5.9008 -5.2866 -5.2866 -5.2857 -5.2857 -4.1530 -4.1530 -4.1523 -4.1523 -3.4851 -3.4851 -3.4843 -3.4843 -1.0297 -1.0297 -1.0290 -1.0290 3.3654 3.3654 3.3656 3.3656 Writing output data file Br.save init_run : 0.15s CPU 0.27s WALL ( 1 calls) electrons : 269.28s CPU 271.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 269.28s CPU 271.85s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 288 calls) cegterg : 249.44s CPU 251.41s WALL ( 531 calls) Called by sum_band: Called by *egterg: h_psi : 187.19s CPU 189.56s WALL ( 8501 calls) s_psi : 1.05s CPU 1.04s WALL ( 8501 calls) g_psi : 0.17s CPU 0.21s WALL ( 7682 calls) cdiaghg : 60.89s CPU 61.26s WALL ( 7970 calls) cegterg:over : 6.44s CPU 6.38s WALL ( 7682 calls) cegterg:upda : 5.48s CPU 5.27s WALL ( 7682 calls) cegterg:last : 2.66s CPU 2.65s WALL ( 1108 calls) cdiaghg:chol : 2.47s CPU 2.58s WALL ( 7970 calls) cdiaghg:inve : 0.72s CPU 0.77s WALL ( 7970 calls) cdiaghg:para : 3.92s CPU 4.00s WALL ( 15940 calls) Called by h_psi: h_psi:vloc : 183.66s CPU 185.87s WALL ( 8501 calls) h_psi:vnl : 3.35s CPU 3.48s WALL ( 8501 calls) add_vuspsi : 1.13s CPU 1.19s WALL ( 8501 calls) General routines calbec : 2.21s CPU 2.27s WALL ( 8501 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 176.38s CPU 178.60s WALL ( 468248 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.19s WALL ( 576 calls) Parallel routines fft_scatter : 81.86s CPU 82.91s WALL ( 468271 calls) PWSCF : 5m 1.78s CPU 5m29.74s WALL This run was terminated on: 4:32:19 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=