[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



More information about the users mailing list