supercell problem
Posted: Thu Sep 07, 2006 1:01 pm
dear all:
I want to build a wurtize type ZnO supercell (e.g. 2x1x1)with one of the Zn2+ ion was replaced by Mn2+ ion,how should I write the POSCAR file?
thanks!!
I want to build a wurtize type ZnO supercell (e.g. 2x1x1)with one of the Zn2+ ion was replaced by Mn2+ ion,how should I write the POSCAR file?
thanks!!