[Pw_forum] PP with semi-core states

elbuesta at icqmail.com elbuesta at icqmail.com
Wed Sep 22 16:10:08 CEST 2010


 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


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