Constraint Force
Posted: Tue Nov 17, 2009 6:05 pm
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.
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.