[Pw_forum] How to stop vc-md with given nstep?
giannozz at democritos.it
Tue Oct 2 21:30:15 CEST 2012
On Oct 2, 2012, at 11:09 , Riping Wang wrote:
> I am using vc-md with espress-5.0.
> I try to run nstep=2 equal to some integer.
> But It already run 428 stpes now, and it is still runing.
it's a known problem:
It is very easy to fix it, though.
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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