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! -- ------------------------------------------------------------------------------------------------------------ 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! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130312/b2a0bf2c/attachment.html
