[CP2K-user] [CP2K:18304] Calculate stress tensor using REFTRAJ

[Rajorshi Chattopadhyay]

Hello all,

I am trying to calculate the stress tensor for several snapshots of AIMD
using REFTRAJ. However, I find that the .stress file prints out 0 for all
the stress components in every snapshot. I have added
    &STRESS ON

      &EACH

         MD 1

       &END EACH

      &END STRESS
under &MOTION and STRESS_TENSOR NUMERICAL under &FORCE_EVAL. Am I missing
something else here ?

I thank you in advance for your help/suggestions.
-- 
With Regards,
Rajorshi Chattopadhyay,
PhD Researcher in Mineralogy/Crystallography,
Institut für Geologie und Mineralogie,
Universität zu Köln, Germany

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