[Pw_forum] A psudopotential for Manganese (LDA NC)
giacsport at libero.it
giacsport at libero.it
Wed Sep 14 17:04:37 CEST 2011
Dear All,
I am looking for a tested pseudopotential for Manganese, LDA and
Norm Conserving. Both 7e- and 13e- in the valence would be ok. I took a look on
the database and I noticed that for Mn there is only USPP and GGA.
I also read in the forum the suggestion in case to use a high cutoff for such
pseudo (pssibly 130 Ry)
Has anyone something to share with me? Excuse me for asking, but I am not very
good in generating pseudopotential by myself.
Thanks in advance.
My very best,
Giacomo
Giacomo Giorgi,
Department of Chemical Engineering,
The University of Tokyo,
Hongo, Bunkyo-ku, Tokyo,
Japan
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