otimization with symmetry constraint
Posted: Sat Oct 29, 2011 4:13 am
Hello all,
I want to optimize the structure (cell and atomic positions)of Sb2Se3 with symmetry constraint,space group is R-3M (166), then what kind of input keywords should I use to keep symmetry during optimization? Thanks in advance.
zjuer
I want to optimize the structure (cell and atomic positions)of Sb2Se3 with symmetry constraint,space group is R-3M (166), then what kind of input keywords should I use to keep symmetry during optimization? Thanks in advance.
zjuer