[Pw_forum] about forces in CP chemical reactions

[marc at fq.edu.uy]

Hi all

 To do a CP on a chemical reaction, I plan follow  steps,
 minimizing electrons, minimizing ions,randomize positions, finding
maximum time step compatible with ficticious electron mass, then the
recommendations said to verify forces,comparing BO vs CP
forces in several simulations points, as in 2006 Tangley paper, where
delta rms between both forces is calculated.
 There is some recommend delta rms value to chemical reactions ?
 If not, because depends on system, as I understood which must be done is
work with a smaller ficticious mass or do BOMD, could someone clear me
this point or signal some seminal job to follow ?

 Thanking in advance your help and support.

 Best Regards

 Marc Segovia
 Catedra de Quimica Cuantica
 DETEMA- Facultad de Quimica
 Universidad de la Republica
 Uruguay
 ccbg.fq.edu.uy