Dear Ali, a good start would be to read the documentation about atomic positions... especially the use of if_pos variables. hope it helps. stefano de Gironcoli -- SISSA and DEMOCRITOS
PS: don't forget to include your affiliation in your massages. ali kazempoor wrote: > Dear All > for relaxation a surface, i want to fix positions of > one layer . could you help me how can i do that? >
