zhuqua... at gmail.com
Sun Apr 28 11:19:31 CEST 2013
As I know ,it changes the cell volume ,and according to the change of
forces on atoms and geometry displacement ,when it reaches to the *Convergence
criterium ,then we assume that the corresponding lattice parameter
> Hello all,
> I wonder how cell optimization works. I know how to use this option but I
> couldn't found explanation how it works. Is there any paper or other
> reference which describes theoretical basis of this method?
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