Hi Robert Hembree, Thank you very much for your kind reply. Unfortunately, none of the pseudopotentials that you mentioned will meet my need. I need a pseudopotential file with Z-valence 20 when the files you mentioned do have only 10 electrons in valence. Probably, someone from the group (PSLibrary) of Andrea Dal Corso can help me out. I would prefer PAW or USPP but if anyone of you has NORM-CONSERVING one, kindly do share.
Ciao, Suza On Tue, Apr 23, 2013 at 9:56 AM, Robert Hembree <hembreerofphysics at gmail.com > wrote: > Hi Suza, **** > > Are you aware of the quantum espresso Pseudo potential library? > > I suspect that the > Ba.pbe-nsp-van.UPF<http://www.quantum-espresso.org/wp-content/uploads/upf_files/Ba.pbe-nsp-van.UPF>pseudopotenial > file will meet your needs. > **** > > ** ** > > > http://www.quantum-espresso.org/?page_id=887&el_id=56&unp_id=&fun_id=12&colum_k=&origin_id= > **** > > ** ** > > I hope this helps**** > > ** ** > > Robert Hembree > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130423/514d4b04/attachment.html