[Pw_forum] a question on pseudopotential generation

[Yue-Wen Fang]

Hi, all

In the article *Notes on Pseudopotential Generation by **P Giannozzi*,
there is a sentence: Curiously enough, the pseudization radius for the core
correction, which in principle should be as small as possible, seems to
improve things if pushed slightly outwards (try rcore=2.0).
I really don not know how to understand "*push slightly outwards*"?
In addition, *why* to try rcore=2.0 but not other values?

Best regards!

--
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Yue-Wen FANG, PhD candidate
Key Laboratory of Polar Materials and Devices, Ministry of Education
East China Normal University
Phone: +86-18321726131
I will persist until I succeed!
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