*********-123.5858-123.5848-123.5814-123.5812-123.5812-123.5812-123.5812
That is quite obviously a sign of a ghost state of the pseudopotential.
I found a similar one in the sg16-ONCV pseudo of Mn some time ago.
However, the problem was only present with pseudos v 1.1 or 1.2 of the
library, while the new v 1.5 did not have it. If a new version does not
fix it, you can either change pseudo, or contact S&G to signal the issue
and ask for help.
hth
Increasing ecut value to 85 didn't help to get rid of these asterisks. I
have also tried abinit flavour of Fe ONCV potential and this solve the
problem with wrong number of electrons and the spin state is the one
that would be expected from the Hund's rule (although calculations are
significantly slower than compared to sg15 pseudopentials).
Sincerely yours,
M. V. Kondrin
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--
Lorenzo Paulatto - Paris
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