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
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pmignon
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Constraint Force
Last edited by pmignon on Tue Nov 17, 2009 6:05 pm, edited 1 time in total.
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admin
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Constraint Force
it is not possible to constrain the distances on certain atoms selectively in the curent release of vasp.
Last edited by admin on Tue Dec 01, 2009 2:11 pm, edited 1 time in total.