[Pw_forum] R_Cut in pseudopotentials in QE website

Paolo Giannozzi giannozz at democritos.it
Mon Dec 10 09:13:57 CET 2012


On Mon, 2012-12-10 at 09:59 +0200, david furman wrote:
 
> I've noticed some pseudopotentials (for example O.pbe-mt.UPF  and
> O.pbe-mt_fhi.UPF ) in the PP library in QE website do not
> contain radii cutoff and E_pseu in their valence configuration.
> [...] Does this mean they were generated without a cutoff radii 
> and pseudoziation energy ? 

no, it means that those PPs were converted from other formats that
did not contain that piece of information

> Is this troublesome ?

no (unliess you need to re-build the PP, of course)

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





More information about the users mailing list