There are two norm-conserving PBE PP for Mn in the web site. Presumably they will require one million (for the FHI one) or one billion (for the HGH one) Ry cutoff.
Paolo On Wed, 2014-11-12 at 10:04 +0000, roberta pigliapochi wrote: > Dear All, > > deep apologies for the spam. > > I am calculating hyperfine and g- tensors of some paramagnetic solids > with qE 5.0.3 and I'd really appreciate some help. > Does anyone by any chance have a Norm-Conserving PseudoPotential > (possibly PBE) with the GIPAW reconstruction for Mn? I've been trying > to generate it by myself with poor results so far (hopefully I would > be taught at the qE winter school, this January!). > > > Thank you very much. > > Roberta Pigliapochi > PhD Student | Grey Research Group > University of Cambridge > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
