[Wien] Regarding Local environments of individual atom in a structure

sandeep Kumar sandeepk.phy at gmail.com
Tue Sep 18 12:34:23 CEST 2018


Dear Prof. Peter Blaha and WIEN2k Users,

I am trying to find the local environments of an individual atom in a
structure. In VASP code, it is written clearly in the OUTCAR file that how
many atoms and which atom are nearest neighbour around an individual atom
in a structure. We can also analysis local environments from the structure
itself using VESTA.

Can we do in the WIEN2k code using case.outputnn file ? Could you please
explain it to me?

Thanks

Sandeep


-- 
Dr. Sandeep Kumar (Postdoctoral Research Fellow)
Institute for Nanotechnology & Advanced Materials,
Department of Chemistry,
Bar-Ilan University, Ramat-Gan 52900, Israel
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