Thank you for your exhaustive and enlightening comment. I would rather
stick to the abinit version of ONCV pseudopotentials. I really don't
know which version I am using (at least I haven't managed to find the
version number in the ONCVPSP folders). The zip-archive was downloaded 4
December 2019 and I believe it was the latest version at the moment.
Hello,
the version number is in the file name, it can be
1.0 - January 2015
1.1 - May 2015, not for all elements
1.2 - (and not 1.5, as I incorrectly recalled) from June 2016, but only
published ready-made in UPF version in February 2020
For Iron you have
Fe_ONCV_PBE-1.0.UPF
Fe_ONCV_PBE-1.2.UPF
I would say, try the 1.2 if the 1.0 has ghosts.
cheers
Sincerely yours,
M.V. Kondrin
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--
Lorenzo Paulatto - Paris
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