Dear All,
I am working on a hexagonal system; the in-pnane lattice constant
a=b are kept fixed. But I need to vary c i.e. lattice constant
perpendicular to the plane(so that optimised c/a value is
obtained) as well as the atomic positions.
Atomic positions vary when I use "MD.TypeOfRun cg". But how
do I get optimisation of c at the same time(without doing it
manually)?
Can anyone please tell me the sring or blockname for this purpose?
best regards. mousumi.
