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11:30 (3 hours ago)
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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/10.1063/1.5143
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
------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/T
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/10.1063/1.5143
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
------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/T
Hello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences. 
1 Comments
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