Dear SIESTA users: I am using the SIESTA program to study the properties of both pure FePt system and the doped (by Cu , Ag etc. atoms)system. However ,when I am using my own generated pseudos,the SIESTA program suggests that it's better to add core-correction when generating the pseudos.But I don't know how to set the rcore parameters(et. the last two parameters on the last line after the rcut's) and how to test those value's correctness.So ,could anyone help me with this?
(Also, I am not quite familiar with the theory , so if anyone could simply expain to me what's the improvement after adding the core correction , I would much appreciate it .) Thanks in advance. & Best wishes! SuiYang 2006-11-11
