[TCOD] RMSD Forces [Was: Re: Questions still left regarding TCOD dictionaries]

[Saulius Gražulis]

On 2014-11-06 19:50, Linas Vilciauskas wrote:
> Hi Saulius and Torbjoern,
> What about RMSD of forces? Usually one uses two parameters for the
> convergence, Max Force and RMS Force.

Good idea, we can use them.

Do most codes report them? VASP, NWChem, QuantumEspresso, Abinit?

Regards,
Saulius

-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Graiciuno 8
LT-02241 Vilnius, Lietuva (Lithuania)
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