Hello, why you don't separate the molecules before sending to SIESTA? On Fri, Jun 5, 2015, 13:59 eft rsd <[email protected]> wrote:
> Hi, > > I am running siesta for two interacting molecules. I need to study the > energy levels for only one of them but there is only one output.EIG file.. > Is there a way to let siesta separate the calculated energies of the > molecules? > > Thanks, > eftrsd >
