Dynamics with VASP

Message

lcagide · #1 Post by **lcagide** » Tue Apr 02, 2013 5:05 pm

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.

#2 Post by **admin** » Wed Apr 03, 2013 9:54 am

VASP uses Born-Oppenheimer dynamics which is simpler and faster than Car-Parrinello molecular dynamics.
[ Edited Thu Apr 04 2013, 10:17AM ]

graeme · #3 Post by **graeme** » Wed Apr 03, 2013 6:50 pm

I can only hope that Roberto Car does not see this thread!

#4 Post by **admin** » Thu Apr 04, 2013 10:17 am

Thanks! Corrected.

lcagide · #5 Post by **lcagide** » Wed Apr 17, 2013 11:45 am

thank you very much for your answer