[Pw_forum] Pseudopotentials for Pseudo-Hydrogens
giannozz at democritos.it
Tue May 22 12:05:47 CEST 2012
On Tue, 2012-05-22 at 05:38 -0400, Vic Bermudez wrote:
> Will I get into trouble if I override this by using input_dft='pw91'
> so that I can use the PZ PP's for the pseudo-H's ?
I don't expect any problem, since we are talking about bogus PPs
anyway, used only to saturate the surface
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
More information about the users