[Pw_forum] How to run ground state molecular dynamics

Paolo Giannozzi giannozz at nest.sns.it
Mon Feb 4 15:21:05 CET 2008

Min Seung Kyu wrote:

> Could you give me a sample input for ground state molecular dynamics
> in NVT ensemble?

I cannot, but I can tell you what to look for in the documentation:
"ion_temperature", "tempw", "tolp", "delta_t", "nraise" . A number
of different thermostats are implemented, but not Nose', in PWscf.

Paolo Giannozzi, Democritos and University of Udine, Italy

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