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Constraint Force

Posted: Tue Nov 17, 2009 6:05 pm
by pmignon
Dear Vasp users,

How to get the constrained force from a MD simulation imposing a constrained distance between two atoms ? I am using Selective Dynamics in the POSCAR file but I could not find anything in the OUTCAR file ...

Thank you in advance,
Pierre.

Constraint Force

Posted: Tue Dec 01, 2009 2:11 pm
by admin
it is not possible to constrain the distances on certain atoms selectively in the curent release of vasp.