[QE-users] Config for pseudopotential generation

[Pamela Svensson]

Hi all,


I am a beginner at QE and want to generate a pseudopotential with ld1.x but have difficulties understanding the config keyword.

Why does gipaw occupation for C obtained at the QE homepage (C.pbe-mt_gipaw.UPF) have config=2s2 2p1.5 but for others such as kjpaw etc have config=2s2 2p2?


Also, what config is recommended for generating a gipaw PP for N?


Thanks

Pamela








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