[Pw_forum] Again: unable( impossible ) to generation PP with semicore states and NLCC ?

sonu kumar 1009ukumar at gmail.com
Sun Oct 17 15:41:25 CEST 2010


Thank you Duy Le for your reply.

>Why do you need a +0.5 pp? Can you make pp with semicore for regular Cu?

PP for an ionic state can be used like neutral pp for the same atom and
"ideally" should be
same.

I hope i would be able to generate required PP.

Thank you very much Duy Le and QE forum.

with regards,
sonu
IITD
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