[Octopus-users] Moving ions in TD dynamics

Min Seung Kyu min0220 at postech.ac.kr
Wed Dec 26 11:59:02 WET 2007


Dear Octopus users,

I'm trying to move ions in time dependent dynamics using following 
options:

RandomVelocityTemp = 100
MoveIons = vel_verlet

However, ions were not changed during the simulation.

Do I need additional options to move ions in TD dynamics?

Sincerely, Min.

-------------------------------Sig.---------------------------
Center for Superfunctional Materials, Department of Chemistry,
Pohang University of Science and Technology (POSTECH)

Mr. Seung Kyu, Min

Ph.D. Candidate

E-Mail: min0220 at postech.ac.kr
Tel.  : 82-54-279-5858
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