[DFTB-Plus-User] Continuing_the_second_geometry_optimization_with_the_first_run_results

Auguste TETENOIRE auguste.tetenoire at univ-rennes1.fr
Fri May 24 12:07:06 CEST 2024


Hi Keshtan,


Yes you can.

Just use the last configuration that is converged from your previous 
calculation as input configuration.

By default it might be "geom.out.gen" file.


Best,


Auguste.


-- 
TETENOIRE Auguste.

Doctor in "Physics of Nanostructures and Advanced Materials" at ISCR Beaulieu - Building 10B - 213 Rennes France.

Website: https://www.auguste.tetenoire.fr/

Contact:
auguste.tetenoire at univ-rennes1.fr
auguste.tetenoire at gmail.com




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