>what is the difference bewteen the two pseudo > Ti.pw91-sp-van_ak.UPF and Ti.pw91-nsp-van_ak.UPF
sp- semi-core s and p electrons are considered as valence ones n- in addition, non-linear core correction is included. van- Vanderbilt type ultrasoft pseudopotetial ak- thanks Axel Kohlmeyer. Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com --- On Fri, 8/29/08, anna.ferrari at unito.it <anna.ferrari at unito.it> wrote: > From: anna.ferrari at unito.it <anna.ferrari at unito.it> > Subject: [Pw_forum] (no subject) > To: pw_forum at pwscf.org > Date: Friday, August 29, 2008, 5:28 PM > dear all > what is the difference bewteen the two pseudo > > > Ti.pw91-sp-van_ak.UPF > and > Ti.pw91-nsp-van_ak.UPF > > i see a different occupatrion in the header but i do not > know what does it imply > > > thanks again > anna > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
