[Pw_forum] help

Paolo Giannozzi 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

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