Hi Gabriele, Thank you for your comments. I think that better than adding new capabilities to the ld1 program, and a new "opportunity" to users to curse pseudopotentials, it is easier to add to projwfc.x the capability to project onto a Slater or Gaussian orbital that the user can define giving a covalent or ionic radius. I know a popular code that uses just a constant function up to a given radius.
Have a nice weekend Eduardo -- Eduardo Menendez Departamento de Fisica Facultad de Ciencias Universidad de Chile Phone: (56)(2)9787439 URL: http://fisica.ciencias.uchile.cl/~emenendez They did it! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101112/b52b5653/attachment.htm