Thanks -Kamaram ----------------------- Kamaram Munira Graduate Research Assistant University of Virginia Charlottesville, VA-22903.
I am trying to calculate the band structure for 20 or so Ni atoms. However,
Siesta repeats the cluster I specify and I end up with calculations that has
more than 500 atoms. Is there anyway, I can stop the periodic repetition?
- [SIESTA-L] Cluster calculation Kamaram Munira
- Re: [SIESTA-L] Cluster calculation apostnik
- Re: [SIESTA-L] Cluster calculation Vasilii Artyukhov
- Re: [SIESTA-L] Cluster calculation Abraham Hmiel