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 När du har kontakt med oss på Uppsala universitet med e-post så innebär det att vi behandlar dina personuppgifter. För att läsa mer om hur vi gör det kan du läsa här: http://www.uu.se/om-uu/dataskydd-personuppgifter/ E-mailing Uppsala University means that we will process your personal data. For more information on how this is performed, please read here: http://www.uu.se/en/about-uu/data-protection-policy
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