Dear Nicola, I am working on generating pseudo potentials for a few elements of Lanthanides too, but so far I am not successful yet (it is still bad). I appreciate if you could share with me your parameter input.
Thank you very much in advance, Trinh On 4/27/11 10:30 AM, "Nicola Marzari" <nicola.marzari at materials.ox.ac.uk> wrote: > On 4/27/11 5:45 PM, hanghui chen wrote: >> Dear PWscf community, >> I am wondering if any one has succeeded in generating the >> ultrasoft pseudopotential of Eu, using uspp-736. Now in the literature, >> for most of the work that involves Eu, the calculation is done with VASP >> where the pseudopotential is provided in its own library. >> Thank you very much indeed. >> >> Hanghui Chen >> Department of Physics, >> Yale University > > > Dear Hanghui, > > we have a test one normconserving, with f electrons in the valence, and > an ultrasoft one, with f electrons in the core. This is part of a > project developing and testing lanthanides pseudos, to be released later > on, but if you want to give them a try, I can send them to you (would > be great to have some test feedback). > > nicola >