[QE-users] Problems with Fe ONCV pseudopotential

[mkondrin]

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