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 -- Paolo Giannozzi Phone: +39/050-509876 DEMOCRITOS and SNS Fax: +39/050-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
