%block GeometryConstraints stress 3 4 5 %endblock GeometryConstraints
You might want to read the manual carefully. Hui Herbert Fruchtl wrote:
I would like to optimise a 2-dimensional sheet with a sufficient vacuum slab to keep it non-interacting in in Z direction. The description of the required routine "constr" for imposing constraints is rather terse... Could somebody tell me how to freeze the Z direction of the cell dimensions, but not the X and Y dimensions, or their corresponding angle? Thanks in advance, Herbert
