Well, I've browsed back through the list archives, I think, up to June or something, but perhaps the discussion you refer to has escaped from my attention.
Of course, you can always take the pseudopotenital generation parameters from some other source and generate them - but then, why did they mention ABINIT and no other code? It turns out that ABINIT pseudos are by no way better suitable for SIESTA than any other psudo format! What I'm pretty sure about is that there's some XML pseudopotential format that is readable by both codes, but it isn't documented yet. Does anybody have a clue on how to use that? 2006/12/1, Marcos Verissimo Alves <[EMAIL PROTECTED]>:
They can, but not with a direct copy from the abinit pseudos website. If you manage to get the rc's from the output/input files at the abinit website, it's just a matter of setting the rc's in the .inp files for the ATOM program and generate your own. In the siesta webpage there is a link saying that the pseudos from abinit can be used with siesta, but this is correct only in the sense that they are troullier-martins norm-conserving pseudos, which siesta does use. Or, if you write your own conversion program, you can convert the formats, if possible. This subject has just been discussed a few weeks ago and before that, some months ago, in this very mailing list. Sometimes it's worth checking the mailing list archives for the answer before posting a technical question. In the process, you might even learn some spanish, which doesn't really hurt at all... :) To developers and maintainers: maybe a FAQ/wiki, could be written and published both in the manual (FAQ only) and website (FAQ/wiki)? If someone sets up the wiki site, I can write some entries for these technical issues, in my totally spare time... :)) Cheers, Marcos > Hello everyone, > > I recall reading something about the fact that the pseudos from the ABINIT > database could somehow be used with SIESTA, but I can't find that bit now. > Is it just false memory, or is it really possible to do that? I also found > out that both codes can read pseudos in XML format, but neither ABINIT nor > SIESTA documentation have any info on that. Does anyone have a clue? > > Regards, > Vasilii > -- Dr. Marcos Verissimo Alves Post-Doctoral Fellow Condensed Matter and Statistical Physics Sector International Centre for Theoretical Physics Trieste, Italy -------- I have become so addicted to vi that I try to exit OpenOffice by typing :wq!
