[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
wolf.christoph at qns.science
Tue Jan 8 14:32:36 CET 2019
Thank you for elaborating; I was not aware of that limitation. That being
said, I managed to calculate MgO with HSE EXX and got quite good results
with ONCV. They just required a relatively dense k-grid to converge (but I
guess that is a totally different issue).
I will keep that in mind!
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users