What I did: I took input parameters for Mn from pseudo-dojo library
(which are the same as in SG15 Mn file), and used new version of ONCVSPS
(4.0.1) to generate different XC flavors.
30.10.2020, 17:12, "Lorenzo Paulatto" <paul...@gmail.com>:
This should work (and versione 4.x of ONCV should have some ghost
detection). I think the version of the code that generate ghost states
is 3.something. Pay attention to the energy bands, especially if you get
some very low eigenvalues or even ***** (i.e. less than -999) in the
eigenvalues list (you may need to set verbosity='high' if you have more
than 100 k-points).
--
Lorenzo Paulatto - Paris
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