Dear Suza,
out of curiosity, why do you need 20? (i.e., I presume, also the 10 d electrons?). Note that, btw, it's very difficult to get good norm-conserving pseudopotentials that can work well for the same angular momentum but different principal numbers (e.g. for 5s and 6s). nicola On 23/04/2013 10:36, Suza W wrote: > 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 -- ---------------------------------------------------------------------- Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL