Dear Stefano de Gironcoli, Thank you for your reply! -- 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 ----- Original Message ----- From: "Stefano de Gironcoli" <[email protected]> To: "PWSCF Forum" <pw_forum at pwscf.org> Sent: Sunday, April 19, 2009 5:42 PM Subject: Re: [Pw_forum] effective charges and USPP implementation > 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 the webpage http://www.pwscf.org/pseudo.htm is outdated and is not 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 >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
