[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



More information about the users mailing list