[Wien] Hyperfine calculations using wien2k ?
Pavel Novak
novakp at fzu.cz
Thu Apr 15 06:47:41 CEST 2004
Dear colleague,
here are two recent publications:
Phys. Rev. B 66,184434 (2002)
Phys. Rev. B 67 140403 (2003)
Regards
Pavel Novak
_________________________________________________
Dr. Pavel Novak
Department of Magnetism and Superconductivity
Institute of Physics AS CR
Cukrovarnicka 10, 162 53 Praha 6, Czech Republic
tel: +420 2 20 318 532
e-mail: novakp at fzu.cz
On Wed, 14 Apr 2004, Manh Nguyen wrote:
> Dear Wien2k users/developers
>
> It would be helpful if you could let me know
> of any work/publication about hyperfine constant (HFC) calculations
> using the Wien2k code.
>
> I am particularly interested in the accuracy of such
> calculations in comparision with avaliable experimental
> data. We have done several calculations
> of HFC for transition metal elements using full potential
> DFT with localized atomic basis set and we need to compare our
> results with similar calculations using plane wave basis. I hope
> the Wien2k code would provide some benchmark ideas for this purpose.
>
> Thank you for your attention.
> Duc
> --
> Dr Duc Nguyen-Manh
> Department of Materials, University of Oxford
> Phone: 44 (0) 1865 273 661 Fax: 44 (0) 1865 273 764
> Email: manh.nguyen at materials.ox.ac.uk
>
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