The ABINIT Users Mailing List ( CLOSED )

[Michel Côté <michel.cote@umontreal.ca>]

> Finally, with respect to the ghost states, I am using the LDA FHI (TM)
> pseudopotentials from the website. Looking back to the .out file I shared
> I can see some abnormally low eigenvalues at certain kpts. If I no longer
> see this behaviour can I rule out the ghost state?
> 

I think so. If you use the pseudo from the web page, I imagine that if they
had ghost states it would be known by now. You can also check if the total
energy makes sense by calculating the binding energy as it is done in the
tutorial 1.5. Fr most systems, the binding energy is between 5 to 9 eV per
atom.

Michel