On Saturday 06 May 2006 09:29, Dmitry Korotin wrote: > I'm trying to generate ultrasoft pseudopotential for Pu (with ld1.x code). > This is my first attempt to generate some pseudo
it is a rather impressive first attempt: ultrasoft full-relativistic with 14 projectors! I would start with something simpler (which, in the case of Pu, may still be rather complex). The specific error: > from gener_pseudo : error # 1 > too many nodes means that the code couldn't manage to produce a nodeless pseudowavefunction Paolo -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
