[QE-users] convergence NOT achieved

[Christoph Wolf]

I can recommend, as a first step, to use the older 0.3.1 for Fe; it is also
the recommended pseudo here
https://www.materialscloud.org/discover/sssp/plot/precision/Fe

I am not sure why, but I also had some problems with the 1.0.0 PP;

HTH!
Chris

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