[Pw_forum] Selective dynamics

A Sen asen at gate.sinica.edu.tw
Thu Mar 1 05:55:37 CET 2007


Dear all,
             Is it possible to do 'selective dynamics' with PWScf? If so, then how? By 'selective dynamics', I mean that certain atoms be allowed to move in certain directions while the others are kept fixed during structural relaxation of a semi-infinite system. 
I would greatly appreciate receiving your suggestions.
Best regards,
Arijit

 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070301/4d0cdbe8/attachment.html>


More information about the users mailing list