Dear All,
apologies if this is well known, but please could you tell me the correct way in which to cite my use of your code in my build of VASP and subsequent calculations?
In particular, how should I best acknowledge your Bader add-ons?
Thanks for your help,
Iain
citation of your add-ons to VASP for Bader analysis
Moderator: moderators
Re: citation of your add-ons to VASP for Bader analysis
We do not have a publication about the software itself, but each method is described in the literature. For Bader, the most recently paper describing the algorithm is:
W. Tang, E. Sanville, and G. Henkelman, A grid-based Bader analysis algorithm without lattice bias, J. Phys.: Condens. Matter 21, 084204 (2009)
and thanks!
W. Tang, E. Sanville, and G. Henkelman, A grid-based Bader analysis algorithm without lattice bias, J. Phys.: Condens. Matter 21, 084204 (2009)
and thanks!