[Pw_forum] Fully relativistic pseudopotential for Sb

"Masakatsu ITO(伊藤)" m-ito at aist.go.jp
Fri Mar 14 01:57:52 CET 2014


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)




More information about the users mailing list