[Pw_forum] Selective dynamics
asen at gate.sinica.edu.tw
Thu Mar 1 05:55:37 CET 2007
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.
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