[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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