Nose parameter in MD, I am helpless, is 100000 good or is 0.00001 better?
Posted: Wed Mar 21, 2007 6:04 pm
Dear Collegues,
I would like to simulate a liquid at 1073 K with 63 atoms, consisting of Ge, Te and Sb, what would be the best guess for Nose parameter ? I am completly helpless. Is 10000 good or is 0.0001 better?
Thank you for your help in advance,
Jozsef
I would like to simulate a liquid at 1073 K with 63 atoms, consisting of Ge, Te and Sb, what would be the best guess for Nose parameter ? I am completly helpless. Is 10000 good or is 0.0001 better?
Thank you for your help in advance,
Jozsef