[QE-users] Problems with Fe ONCV pseudopotential

Lorenzo Paulatto paulatz at gmail.com
Tue Sep 29 11:30:58 CEST 2020


> 
> *********-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.


-- 
Lorenzo Paulatto - Paris


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