hi
Dear siesta users,
I was faced with a problem?
the molecules adsorbed on graphene, the length of bonding with the SIESTA
creates a large distance between molecular systems routinely makes certain
results, such as atom-atom bonding between molecules and atoms of graphene and
strong coupling between boron and nitrogen not emerge comes
The question I have is whether you can make the problem MD (CG method for
relaxation)
Given that the run the system is complete, Is it possible the system is not
fully relax.
.
Please help me?
the best regards,
hamidreza balangi
