Dear Masa, In case you didn't find the solution yet, this is an FAQ, one "easy" answer is:
http://qe-forge.org/gf/project/pslibrary/ Greetings, apsi -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=- Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/ Institut f?r Chemie der Universit?t Z?rich, CH-8057 Z?rich Tel: +41 44 63 54 497 / Mobile: +41 79 71 90 935 On Fri, 14 Mar 2014, "Masakatsu ITO(??)" wrote: > Dear all, > > I need a fully relativistic pseudopotential for Sb > so that I can simulate Sb2Te3 in the way which > is described in a paper , M. Kim, C.H. Kim, H.-S. Kim, and > J. Ihm, PNAS 109, 671 (2012). > > http://www.pnas.org/content/109/3/671.abstract > > > In that paper, the authors wrote that they used > Quantum Espresso with the fully relativistic pseudopotentials > including spin-orbital coupling and a plane wave basis > for Sb and Te. But the web site of Quantum Espresso > pseudopotential > http://www.quantum-espresso.org/pseudopotentials/ > does not provide a fully relativistic pseudopotential for Sb. > > So I'd be really grateful if anybody send me that > pseudopotential file. > > with my best regards, > Masa > > Masakatsu ITO > > Green Nanoelectronics Collaborative Research Center > National Institute of Advanced Industrial Science and Technology > (AIST) > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
