[Pw_forum] LDA+U with phonon
Layla Martin-Samos
lmartinsamos at gmail.com
Fri Apr 20 14:08:29 CEST 2012
Dear Sanjeev, for what concerns LDA+U and phonon, there is a version not
public available that needs re-alignement with the main development line.
We would like to do it as soon a s possible, unfortunately all of us are
very busy. Maybe Stefano De Gironcoli could give you a more precise view on
what is going on.
best regards
Layla
2012/4/20 Sanjeev Gupta <physics.skgupta at gmail.com>
> Dear PWSCF users.
>
> I would like to know the present status of use LDA+U in phonon calculation.
> Further, the problem in rare-earth materials due to f-electron need
> justification, how we overcome this issue in phonon calculations?
>
> Please suggest me.
> Best Regards
> Sanjeev
>
> --
> *Dr. Sanjeev Kumar Gupta*
> *Post Doctoral Fellow,
> (Ministry of New and Renewable Energy)
> Department of Physics,
> Bhavnagar University, Bhavnagar-364 022
> Gujarat, India*
>
>
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