[Pw_forum] Problem with constraining an atomic position

Paolo Giannozzi giannozz at democritos.it
Tue Nov 23 17:03:43 CET 2010


Mahmoud Payami wrote:

> I have also constrined this z=0 atom to stay at that position during the 
> relaxation. But, at the end all atoms (including the first one) are moved

I cannot reproduce this behavior. Which code version are
you using? P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


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