[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
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