[Pw_forum] Initial velocities for MD run?
Paolo Giannozzi
giannozz at democritos.it
Tue Jul 13 16:21:37 CEST 2010
Norbert Nemec wrote:
> is there any way to specify initial velocities for a MD run?
CP or PW? in the latter case, unfortunately it is not possible
right now. Once upon a time I considered implementing it, but
the way dynamics is implemented in PW/dynamics_module.f90 makes
addition of initial velocities not completely obvious.
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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