giannozz at nest.sns.it
Fri Sep 8 15:51:33 CEST 2006
On Friday 08 September 2006 09:38, Amin Babazadeh wrote:
> I want to simulate a nanostructure with using espresso code so I give
> this structure [...]
> The calculation for pw.x was good but my problem is in finding band
> structures. I don't know what k-points is good for this structure.
are you sure k-points are "good" (i.e. a useful concept) for this
structure? It looks like you are studying a small ZnS clusters using
a fcc supercell.
Paolo Giannozzi Phone: +39/050-509876
DEMOCRITOS and SNS Fax: +39/050-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
More information about the users