[CP2K-user] [CP2K:18428] Possible to print one (big) stress file?

Pelayo Marín Villa pelayomrnvll at gmail.com
Thu Feb 9 16:54:00 UTC 2023


Dear cp2k community, 

I'm new to cp2k and I'd like to ask for a bit of help. I'm exploring the 
stress tensors in my system, and so I could print them by writing the 
following keywords in the &FORCE_EVAL frame:

  &PRINT
      &STRESS_TENSOR SILENT
         ADD_LAST NUMERIC
         FILENAME ./stress/stress_tensor
      &END STRESS_TENSOR
  &END PRINT

This generates a good number of stress files. Is there by any chance a way 
to print them all-together in one (big) file directly from CP2K?

Cheers,

Pelayo

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