[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/
> ======================================
>
> ------------------------------------------------------------------------
> 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
>   



More information about the Pw_forum mailing list