question about MD
Posted: Tue Nov 10, 2009 2:51 pm
I found someone simulation of MD using NPH ensemble. but I can't find tags about it. In general , SMASS tag is used to chose ensemble. However, this tag don't no the ensemble(NPH) in vasp manual.
does anyone can answer the question?
thanks in advance!
does anyone can answer the question?
thanks in advance!