Dear all,I want to calculate the orbital-magnetization of uranium compounds. Thus, I am looking for full-relativistic norm-conserving pseudopotentials for uranium. Up to know, I could not manage it to build my own ones. I also didn't find any relativistic uranium pseudos in the databases listed at the quantum espresso homepage. Does anyone have an idea, where I can look to find such kind of pp's?
Thank you and best regards, Malte Sachs -- Malte Sachs Anorganische Chemie, Fluorchemie Philipps-Universität Marburg Hans-Meerwein-Straße 4 35032 Marburg (Paketpost: 35043 Marburg) Tel.: +49 (0)6421 28 - 25 68 0 http://www.uni-marburg.de/fb15/ag-kraus/
<<attachment: malte_sachs.vcf>>
smime.p7s
Description: S/MIME Cryptographic Signature
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
