Fan Yang wrote: > Dear everyone, > I have a simple question about the setting of PWGUI, namely, > does the lattice basis vectors in "CELL_PARAMETERS" refer to real > lattice or reciprocal lattice? and what does the lattice type mean, > since it has only two choices-cubic and hexagpnal? > Thanks in advance. 1) The real lattice. 2) cubic/hexagonal refer to whether the symmetry group of the lattice has to be searched among the subgroups of cubic or simple hexagonal groups.
stefano > > ====================================== > Fan Yang > PH.D Candidate in Electrochemistry > College of Chemistry and Molecular Science > Wuhan University,/430072/,Hubei Province,China > /E-mail:shrek_826 at yahoo.com.cn/ > ====================================== > > ------------------------------------------------------------------------ > Be a better friend, newshound, and know-it-all with Yahoo! Mobile. Try > it now. > <http://us.rd.yahoo.com/evt=51733/*http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ%20> > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
