[Pw_forum] Problem with constraining an atomic position
Mahmoud Payami
mpayami at aeoi.org.ir
Wed Nov 24 10:15:36 CET 2010
Dear Paolo,
Thank you very much for your reply. It was solved. I just entered the
positions of the atoms in a normal way (I mean without extra spaces between
the coordinates). I use the QE-4.2.1.
Best regards,
m.
> 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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