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

Achyut Subedi er.achyutsubedi at gmail.com
Wed Jul 3 15:40:47 CEST 2024


>
> Thank you Dr. Aradi for the response.



> One more question  I have with the unit confusion. What will be the unit
> of coordinates in the md.xyz file? as it is not written there, should we
> consider that it is in au or since we give the velocities in [AA/ps], so
> should we consider it as in Angstrom?



-- 
Best Regards
Er. Achyut Subedi
Registered Mechanical Engineer
(IOE, TU, Nepal)
+977-9847703110
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