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
