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URANIUM PSEUDOPOTENTIAL


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  • From: Aloysius Soon Sze Lok <a.soon@auckland.ac.nz>
  • To: forum@abinit.org
  • Subject: URANIUM PSEUDOPOTENTIAL
  • Date: Wed, 12 May 2004 16:48:01 +1200
  • Organization: The University Of Auckland

Dear all,
I have checked ABINIT webpage and found that the only pseudopotential
available for uranium is the LDA one. I'm not too sure if relativistic
effects are taken into account.

I understand that in the paper by Crocombette et. al. [Phys Rev B Vol 64,
104107 (2001)] has produced a uranium LDA pseudopotential.

By any chance, would anyone in this forum happen to know how to obtain a
uranium pseudopotential (LDA or GGA), other than generating one from the
FHI98pp code?

Any help is deeply appreciated.

Cheers!




--
Aloysius Soon SL
Postgraduate Student
Structural & Computational Chemistry
Chemistry Department
The University Of Auckland, New Zealand
Phone: +64 9 373 7599 ext 88291
Email: a.soon@auckland.ac.nz



  • URANIUM PSEUDOPOTENTIAL, Aloysius Soon Sze Lok, 05/12/2004

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