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Dynamics with VASP

Posted: Tue Apr 02, 2013 5:05 pm
by lcagide
Dear all,
can anyone say me as VASP makes the dynamics?
In the manual is written that VASP uses an algorithm more efficient than tradictional carry-parrinello calculations; thus, the dynamics made with VASP are similar to those carried out with the carry-parrinello scheme?
thank you very much,
Luis.

Dynamics with VASP

Posted: Wed Apr 03, 2013 9:54 am
by admin
VASP uses Born-Oppenheimer dynamics which is simpler and faster than Car-Parrinello molecular dynamics.
[ Edited Thu Apr 04 2013, 10:17AM ]

Dynamics with VASP

Posted: Wed Apr 03, 2013 6:50 pm
by graeme
I can only hope that Roberto Car does not see this thread!

Dynamics with VASP

Posted: Thu Apr 04, 2013 10:17 am
by admin
Thanks! Corrected.

Dynamics with VASP

Posted: Wed Apr 17, 2013 11:45 am
by lcagide
thank you very much for your answer