The ABINIT Users Mailing List ( CLOSED )

[Thomas Maxisch <Thomas.Maxisch@epfl.ch>]

Dear Gustavo,

> I have always used the Troullier-Martins pseudopotentials available from the
> web. Could the problem be related to this?

May be. Try to use a pseudopotential with the d of even f orbital as local 
part. Actually the pseudopotential from the webpage is the only one which I 
know that has the s orbital as local part. But I am not totally sure.

Hope this helps,
Thomas


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Thomas Maxisch
EPFL SB-ITP/CPNMC
PHB-Ecublens
CH-1015 Lausanne
Switzerland
Tel : +41 (0) 21 693 45 16
Fax : +41 (0) 21 693 44 44
Email : Thomas.Maxisch@epfl.ch
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