[Pw_forum] effective charges and USPP implementation

Kun Yin kyin.cn at gmail.com
Sun Apr 19 10:10:18 CEST 2009


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 




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