Dear Paolo, I misunderstood the email discussed in the forum. I thought that the link you gave before was the USPP-LDA for Mn. So I guess you meant that LDA PP was not good, and the one with PBE is better? (I don't why yet).
Thank you very much, Trinh > > On Jan 13, 2010, at 21:00 , vtmtrinh at caltech.edu wrote: > >> Could you give me the pp again, if you don't mind. > > I don't mind, but I don't know which file exactly you are referring to. > There is a new Mn USPP that should be better than the previous > one. Please get it here: > > http://www.quantum-espresso.org/pseudo/upfdetails.php?upf=Mn.pbe-sp- > van_mit.UPF > > P. > --- > Paolo Giannozzi, Dept of Physics, University of Udine > via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
