[DFTB-Plus-User] Unit confusion in results of DFTB+ calculations

[Bálint Aradi]

Dear Achyut,

the GEN-format is described in the user manuel (Appendix D).

Best regards,

Bálint

On 7/11/24 1:24 PM, Achyut Subedi wrote:
> Dear Dr. Aradi, thank you for the confirmation. I have another followup 
> question regarding the units.
> 
> What will be the units of the lattice vectors or coordinates in the 
> geo_end.gen file that we get as a final geometry in the geometry 
> optimization?
> 
> Is it in an atomic unit? Or are they in Angstrom?
> 
> Best Regards
> Achyut Subedi
> 
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.uni-bremen.de/en/lmcqm/b-aradi


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