On 29.09.2020 13:30, Lorenzo Paulatto wrote:
*********-123.5858-123.5848-123.5814-123.5812-123.5812-123.5812-123.5812
P.S. the "*******" mean that there is an eigenvalue more negative than
-999 eV, it is the ghost state which manages to make itself orthogonal
to the repulsive non-local projectors, to snuggle in the attractive
local potential.
Hi, Lorenzo,
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.
Sincerely yours,
M.V. Kondrin
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