Dear all ,

                As indicated in the title,  I want to study the Pt-doped graphene,  the model was built by replaced one of the carbon atoms of graphene and the geometry optimization process was carried out with Dmol3.  GGA + PBE was used, however, after the geometry optimization process, the Pt atom is still in the small plane with other carbon atoms.  But the reference reported that Pt atom should increase the position in the C axis direction.

                I did this for a long time,  but still failed to get the similiar structure with reports.

                Can someone give some suggestions?