[Pw_forum] about lattice basis vectors?
Stefano de Gironcoli
degironc at sissa.it
Mon Apr 21 15:05:20 CEST 2008
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/
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