[QE-users] "wrong offset" error when using SG15 pseudo

Lorenzo Paulatto paulatz at gmail.com
Fri Oct 30 18:03:11 CET 2020


> 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" <paulatz at 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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