The ABINIT Users Mailing List ( CLOSED )

["Andrew M. Rappe" <rappe@sas.upenn.edu>]

When the BHS paper appeared, it represented a big step forward,
because it made reasonably good pseudopotentials available for every
element, as well as guidance for pseudopotential construction.  The
current publicly available codes such as FHIPP98 or OPIUM go
significantly beyond this.  OPIUM (http://opium.sourceforge.net)
offers better plane-wave convergence and better transferability than
BHS, as well as sophisticated diagnostics to predict pseudopotential
convergence and accuracy.

It would be worthwhile for us to build BHS into OPIUM for backward
compatibility and comparison testing.  Good suggestion.

Andrew M. Rappe

On Sat, May 08, 2004 at 12:04:05AM +0200 or thereabouts, 
ilyes.hamdi@fst.rnu.tn wrote:
> Dear 
> I think no, but you can download the FHIPP98 program to generate such 
> pseudopotentiel, or download the opium program to generate optimized 
> pseudopotentiel following the paper of A. M. Rapp. You can found the 
> hyperlink 
> to these downloads in the abinit project site.