Dear Kun Yin, the webpage http://www.pwscf.org/pseudo.htm is outdated and is not linked anymore from the pwscf website .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 >
