Dear users, We are tying to build a PP for Cu with 19 electrons in the valence using the ld1 code. We would like to know:
1) Is there an input example using semi-core states where two of the wavefunctions that we have to pseudize have the same angular momenta, like 3s and 4s? 1) Could we generate with ld1 a single-projector PP for the last case? Thanks, Luca Sementa and Fabio Negreiros IPCF - CNR, Pisa - Italia -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100922/6a27314b/attachment.htm
