[Pw_forum] vc-relax with BFGS

[Lorenzo Paulatto]

Could you please post both complete outputs? In private, if you prefer

On Mon, 14 Feb 2011 15:54:03 +0100, Srijan Kumar Saha  
<srijan.india at gmail.com> wrote:
> I am using the 4.2 version of the QE code and I have obtained the Final
> symmetry
> simply feeding back the final positions and final cell parameters in a  
> brand
> new relax calculation.
> Then, in the beginning of this new run, the QE prints the symmetry again.
> Moreover, I have cross-checked the above symmetry with another symmetry  
> tool
> called ISOTROPY.
>
> Thanks and regards,
> Srijan K.
> CCMT
> Indian Institute of Science
> India 560012


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Lorenzo Paulatto (IdR)
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