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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