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!
Two questions about MD in VASP
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fanghz
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Two questions about MD in VASP
Last edited by fanghz on Thu Jun 12, 2008 6:00 pm, edited 1 time in total.
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admin
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Two questions about MD in VASP
1) yes, MD runs on the BO-surface in vasp
2) yes.
2) yes.
Last edited by admin on Thu Jun 12, 2008 7:14 pm, edited 1 time in total.