[CP2K-user] [CP2K:16887] What is the precision on forces emitted by CP2K's energy forces job?

alex van der waals alexvdwaals1 at gmail.com
Mon Apr 25 20:56:44 UTC 2022


I'm curious what the precision on forces in a cp2k energy_forces job. In 
particular, how does it depend on various input variables, such as EPS_SCF? 

Also, in the forces section, the printout says the units are in atomic 
units. Is that also the default unit for all force dependent convergence 
criteria, such as in a NEB job?


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