Re: [SIESTA-L] How to translate siesta psf to abinit PP

2010-07-05 Por tôpico Marcos VerĂ­ssimo Alves
Ye-Fei, There is one tool, I think, but it's a complicated story :) Have you tried googling it? It might show up. Otherwise, you could try using Opium for generating the pseudo for Abinit with the same XC functional, angular momentum channels and rc's. Plus, if a tool for translating the pseudos

[SIESTA-L] How to translate siesta psf to abinit PP

2010-07-05 Por tôpico yefare li
Dear all: Rencently ,I want to identify the quality of siesta PP by using Abinit package. There is psf PP file on siesta web site that translte form Abinit. Is there any way to translate siesta psf format back to Abinit PP? Thanks! Ye-Fei Li