Skip to Content.
Sympa Menu

forum - pseudopotential of Sn

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

pseudopotential of Sn


Chronological Thread 
  • From: Ariesto Pamungkas <ariesto@physik.rwth-aachen.de>
  • To: forum@abinit.org
  • Subject: pseudopotential of Sn
  • Date: Fri, 12 Mar 2004 16:46:21 +0000 (GMT)
  • Priority: normal


Dear abinit users,

I generated pseudopotential of Ge, Sb, Sn, Te from
FHI98PP program (Hamann type pseudopotential, GGA
Perdew/Burke/Ernzerhof ). For Ge, Sb and Te my
calculation is in very good agreement with
experimental data but for Sn , it is a bit too high.
Is there anyone knows good value of cutoff radii for
Sn or have Hamann type(GGA Perdew/Burke/Ernzerhof)
pseudopotential for Sn?

Thanks!





  • pseudopotential of Sn, Ariesto Pamungkas, 03/12/2004

Archive powered by MHonArc 2.6.16.

Top of Page