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Potassium

From: Michael Baitinger <baitinge@cpfs.mpg.de>
To: forum@abinit.org
Subject: Potassium
Date: Mon, 09 Feb 2004 16:27:47 +0100

Dear users,

the <http://www.abinit.org/ABINIT/Psps/LDA_TM/lda.html>Troullier-Martins pseudopotential for potassium is not available (http://www.abinit.org/ABINIT/Psps/LDA_TM/lda.html).

I've tested "Hartwigsen-Goedecker-Hutter"-Potentials with bad results, whereas the calculations withTroullier-Martins-pseudopotentials agree nicely with my X-Ray-results.

Is it possible for a newcomer to create reliable "Troullier-Martins" pseudopotential for postassium?

Thanks!

----------------------------------------------------------------

Dr. Michael Baitinger
MPI CPfS
Nöthnitzer Strasse 40
01187 Dresden
Tel. 0351/4646-4249

Potassium, Michael Baitinger, 02/09/2004