Energy problem using vasp 5.4.4
Posted: Thu Aug 24, 2017 12:14 am
I am trying to use vasp 5.4.4 but the total energy is completely different from the result I get using earlier vasp code. I also compared the energy difference such as adsorption energy, but it doesn't make sense.
Has anyone noticed such problem before? Any suggestions? Thank you very much.
Has anyone noticed such problem before? Any suggestions? Thank you very much.