[Pw_forum] effective charges and USPP implementation
Stefano de Gironcoli
degironc at sissa.it
Sun Apr 19 11:42:33 CEST 2009
Dear Kun Yin,
the webpage http://www.pwscf.org/pseudo.htm is outdated and is not
linked anymore from the pwscf website .
effective charges and electron-phonon coefficients are implemented
with USPP.
third order derivatives are not.
stefano de Gironcoli - SISSA and DEMOCRITOS
Kun Yin wrote:
> Dear Users and Developers:
>
> PWscf website (http://www.pwscf.org/pseudo.htm) states that "calculations of
> effective charges, electron-phonon coefficients, third-order derivatives are
> not implemented with USPPs". Does this situation still exist? My primary
> concern is the effective chareges calculation. Please tell me if this
> feature has been implemented with USPPs now, and if yes, from which version
> on? Thank you in advance!
>
> --
> Kun Yin
> Ph.D. Candidate
> School of Earth Sciences and Engineering
> Nanjing University
> 502 Geological Laboratory Building
> 22 Hankou Road
> Nanjing 210093
> P.R. China
>
> email: kyin.cn at gmail.com
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
More information about the Pw_forum
mailing list