Dear Priyanka,
there are a few projects that make their pseudopotentials available - if you go to http://quantum-espresso.org/pseudo.php and click on the left ("Notes") you'll see the links. The Fritz-Haber package, in particular, has a Troullier-Martin pseudopotential for Rubidium, that could be converted into UPF using the converter fhi2upf (in upftools). Once you have generated/converted the pseudo, test it. Does the atom come out with PWSCF as it does in the pseudo code (same pseudoeigenvalues, once you take into account that the zero of energy is different)? Are there other calculations you can compare yourself to? nicola On 2/16/11 7:29 AM, priyanka goud wrote: > Dear PWSCF users, > > I need pseudo potentials for Rb( > Rubidium) metal. > I have gone through this website > (http://www.quantum-espresso.org/pseudo.php) for the same. > But there are some elements(eg:Rb,Fr etc) for which pseudo potentials > has not been defined. > > Is there any way to retrieve pseudo potentials for such elements(My > case is Rubidium-Rb). > > Thanks in Advance. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ---------------------------------------------------------------------- Prof Nicola Marzari Department of Materials University of Oxford Chair of Materials Modelling Director, Materials Modelling Laboratory nicola.marzari at materials.ox.ac.uk http://mml.materials.ox.ac.uk/NM