[Pw_forum] Increasing ecut

Alexandra Davila davila at theo-physik.uni-kiel.de
Tue Aug 23 13:51:44 CEST 2016


Dear QE-users,
Thanks for the answers about my Neb question. The space was the reason.

I have a question:

If I increase the ecutwfc or ecutrho, is it possible to use wfc file or 
the charge density data from a run with lower ecutwfc or lower ecutrho.
So I wont start always from random numbers. In other programs is 
possible, I tried in QE but I become error message due to the changes.

Thanks in advance,

-- 
A. Dávila
AG. Pehlke
Institut für Theoretische Physik und Astrophysik
Christian-Albrechts-Universität zu Kiel
Leibnizstr. 15
24118 Kiel




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