[DFTB-Plus-User] Unit of forces in DFTB+
qiwu25-c at my.cityu.edu.hk
Wed May 22 05:46:27 CEST 2013
what is the unit for the forces printed in the detailed.out file ? Is it ev/Ang?
By the way, I found that there is no output of force if there is no geometry optimization.
How to get the forces on each atom when geometry optimization is not done (or single point calculation)?
Thanks in advance,
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