[Pw_forum] Alterntive of Makov-Payne correction for noncubic systems

Amar Singh amarsingh122014 at rediffmail.com
Sat Nov 4 13:49:19 CET 2017


Dear Friends,I want to optimize a structure with nonzero tot_charge and having issue with the conversion. I read on forum that Makov-Payne correction may help in conversion, but works only for cubic systems. Is there a way to use M-P correction for non-cubic system ? If not, what could be the next best possible alternative.thanksAmar 
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