[Pw_forum] LDA norm-conserving pseudopotential for Fe

helen at fh.huji.ac.il helen at fh.huji.ac.il
Tue Sep 13 11:11:07 CEST 2011


Dear QE users,
I need a LDA norm-conserving pseudopotential for Fe, and later for  
transition metals in general. In the quantum-espresso library I found  
a PBE norm-conserving pseudo-potential : Fe.pbe-sp-mt_gipaw.UPF . Does  
anyone know where I can obtain a LDA norm-conserving Fe  
pseudo-potential, in a format which pwscf can use? (I saw there are  
libraries in a different format in abinit.org)
Thank you for your help,
Dr. Helen Eisenberg,
Post-doc, Fritz-Haber Research Center, Hebrew University, Jerusalem


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