My Community

Hi everyone,
I am trying to do calculation for metal clusters.
I want to do geometry local optimizaiton with fixed
symmetry group, such as for Icosahedron I want to
fix the system with Ih symmetry during the local optimization.

I am not sure how to do this in VASP.

Thanks,
Min

the initial symmetry group of the cell is kept fixed by default, because all forces and stress tensors are symmetrized according to the point group operations of that symmetry group unless symmetry is explicitely switched off (ISYM=0 or -1)