another questions about PDOS
Posted: Fri Sep 02, 2011 11:30 pm
if there is one ineqivalent position for a kind of atom, should we get one PDOS. if there is 2 , then 2 kinds of different PDOS, right?
I got 4 different PDOS for just 1 inequivalent position atom, but similar, not big difference. is it reasonable?
I got 4 different PDOS for just 1 inequivalent position atom, but similar, not big difference. is it reasonable?