> Thank you very much. If there is no Ultrasoft pseudopotentials for siesta. > Which kind of pseudopotential we usually use for the tranisition metals.
Dear Fen, we use norm-conserving ones. > It seems nobody use the potential on the siesta Homepage. This is a wrong impression; the database of pseudos on the Siesta site was updated exactly by people who created and used these pesudos. Moreover in publications the authors often enough exactly specify what kind of pseudopotential, radii and charge configuration they use. If you don't know better, the pseudos from the abinit database (on the Siesta site, Pseudos & Bases) should be good enough. Otherwise, you generate and test you own ones, guided by the examples in the "User contributed database" or lectures in the Siesta tutorials. Best regards Andrei Postnikov
