Could you please explain how? Would that create different output files for the two molecules? eftrsd On 5 Jun 2015 19:56, "I. Camps" <[email protected]> wrote:
> 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 >> >
