[Pw_forum] using QE with extremely high pressures

Uri Argaman argamanu at post.bgu.ac.il
Tue Aug 18 09:32:13 CEST 2015


Dear QE users and developers
I just want to understand a point.
What one should consider in scf calculations (with QE) when going to
extremely high pressures except (obviously) of being sure to have an
adequate pseudopotential and reaching numerical convergence?

Thanks,
Uri Argaman
Material Engineering Department
Ben-Gurion University
Israel
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150818/7d79108a/attachment.html>


More information about the users mailing list