[Pw_forum] Frozen atomic coordinates on phonon calculations:references

Davide Tiana d.tiana at bath.ac.uk
Wed Oct 31 09:53:57 CET 2012


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>
> Dear all,
>
> Could anyone indicate me a published paper using/testing frozen atomic
> coordinates on phonon calculations (nat_todo option in QE)?
>
> Thanks in advance.
>
> --
> Ant?nio M. Da Silva Jr. (PhD student)
> Nucleus of studies in computational chemistry (NEQC)
> Department of Chemistry
> Federal *University of Juiz de Fora* (UFJF) - Brazil
> http://lattes.cnpq.br/0895213089855328





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