Two questions about MD in VASP
Posted: Thu Jun 12, 2008 6:00 pm
1, Does Vasp only support MD on Born-Oppenheimer surface (BOMD) currently? I hope someday Car-Parrinello MD (CPMD) method will be implemented in VASP also!
2, Does the magnetic setting "ISPIN=2" will work when I'm doing MD calculations?
I need your help, thanks a lot!
2, Does the magnetic setting "ISPIN=2" will work when I'm doing MD calculations?
I need your help, thanks a lot!