Hi there,
I know that SIESTA allows some restrictions on atomic displacements. However, I didn’t find in the manual a way to allow atomic displacement only in the negative or positive z-direction during the relaxation process, for example: During the relaxation process of a graphene bilayer, I would like to freeze the atoms on one sheet and allow specific atoms on the other sheet to move only in the negative z-direction.
Is it possible to enforce this kind of restriction? My idea is that it is possible to do this by modifying the construct.f routine, am I right in thinking this way?