[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)

Christoph Wolf wolf.christoph at qns.science
Tue Jan 8 14:32:36 CET 2019


Dear all,

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!

Best,
Chris

-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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