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- 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
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