[CP2K-user] dmax for geo opt

Jérôme Claverie jclaver... at gmail.com
Wed Jan 9 15:41:24 UTC 2019


Dear community,

Does anyone know how can we set the maximum distance for atomic 
displacement during GEO_OPT?

I am looking for the equivalent of this command: 
https://lammps.sandia.gov/doc/min_modify.html

Thanks

Jérôme

-- 
Jérôme Claverie, PhD candidate
Department of Physics and Chemistry, UNESP, Ilha Solteira-SP, Brazil
Laboratory of Civil Engineering and Mechanical Engineering, INSA de Rennes, France

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