[Wien] WIEN2k paper for citation

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Feb 20 11:30:40 CET 2020


Dear WIEN2k users,

We published recently a paper on WIEN2k in J.Phys.Chem.:

WIEN2k: An APW+lo program for calculating the properties of solids

P. Blaha, K.Schwarz, F. Tran, R. Laskowski, G.K.H. Madsen and L.D. Marks,
J. Chem. Phys. 152, 074101 (2020)

https://doi.org/10.1063/1.5143061

It contains a fairly extensive description of WIEN2k, starting with the 
basics of APW, the DFT approximations, the user interface and 
installation, up to examples of almost all features.

We ask you to cite this paper in your further publications with WIEN2k.

Best regards
-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
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