[DFTB-Plus-User] MD_NVE job problem

[Bálint Aradi]

Dear Natalia,

>   Thermostat = None {>   InitialTemperature = 300.0>   }

Temperature is defined in Hartree, if not specified otherwise. Make
sure, you add [Kelvin] if you meant 300 K.

Best regards,

Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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