[Pw_forum] Specify the states to be pseudized

[Paolo Giannozzi]

On Dec 14, 2006, at 15:12 , naivebamboo Huang wrote:

> Thanks very much. This is what I chosed. But I saw it required
> 4 wave functions. Can I set the other two "label and occupancy"
> as "6d and 0.0", "6f and 0.0"?

"5f and 0.0", I guess. The main quantum number is not used, anyway

> Another choice is "4f , 14" and "5d, 10"?

29 valence electrons ? wow!

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy