How to change nuclear size in pseudopotential?

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fanCy
Posts: 3
Joined: Tue Sep 20, 2016 1:31 pm

How to change nuclear size in pseudopotential?

Post by fanCy » Mon Oct 10, 2016 2:19 pm

Dear developers:
When generating paw pseudopotential, there is a keyword named "nuclear_keyword" in the input file. We can choose "point-nucleus" or "finite-nucleus" for this keyword. If we choose "finite-nucleus", we will assume finite nucleus potential for r→0 (V(r)=-2Z erf(r/RR)/r) to solve atomic wave equation, where RR is a nuclear size parameter. I want to kown how can we change this parameter? In order to get different pseudopotential between different isotope. We know that different isotope has different nuclear radius.

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