[Pw_forum] vc-relaxation technical job

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Thu Jun 16 07:57:47 CEST 2016


Hi,
The forces acting on some and the 9 components of the stress matrix are
minimised simultaneously using the BFGS algorithm.
HTH

-- 
Lorenzo Paulatto
Written on a virtual keyboard with real fingers
On 15 Jun 2016 4:41 p.m., "Francesco Pelizza" <
francesco.pelizza at strath.ac.uk> wrote:

> Hi Dear users,
>
> I would like to know from you, avoiding misinterpretations how the
> vc-relax works?
>
> Is it perhaps a series of ionic relaxation where the cell gets changed
> depending on choice of software itself? (deciding on stresses, forces,
> etc....)
>
> Otherwise please give me some clarification.
>
>
> Thank you very much
>
> Francesco Pelizza
>
> University of Strathclyde (Glasgow)
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> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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