[Q-e-developers] system size

[Laalitha Liyanage]

Dear Milinda,

792 atom system is  too large for Quantum Espresso.
You can try to use SIESTA http://icmab.cat/leem/siesta/

Laalitha Liyanage
Department of Physics
Central Michigan University
Department of Physics
University of North Texas

On 04/25/2013 01:01 PM, Milinda Samaraweera wrote:
> Milinda Samaraweera
> Computational materials chemistry and Computer programming
> University of Connecticut