[Pw_forum] MD calculation, and Conjugate Gradient?

Paolo Giannozzi giannozz at democritos.it
Wed Jan 11 11:55:10 CET 2012


On Wed, 2012-01-11 at 10:48 +0000, Abdeslam Houari wrote:


> How to do it in PW-scf (QE-4.3.2) ? I didn't find it in the INPUT-PW
> or somewhere else !


you cannot do it with PWscf. You can do it with CP.

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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