[CP2K-user] [CP2K:17338] printing STRESS_TENSOR

oandr...@gmail.com oandresg15 at gmail.com
Wed Jul 20 20:51:56 UTC 2022


Dear CP2K group, 

I have been trying to get the stress tensor in cp2k 9.1 , I am using 

   &PRINT

      &STRESS_TENSOR

         ADD_LAST SYMBOLIC

         FILENAME tensor

      &END STRESS_TENSOR

   &END PRINT


within FORCE_EVAL, yet, I dont get an independent  file for the  LAST STEP, 
but I do get one file (stress_tensor) per step during the geo_opt. 

if i include 

    &EACH

            GEO_OPT 0

         &END EACH


if i dont get the LAST STEP, 


I was wondering if you have some suggestions to obtain a single file, with 
the last last stress tensor,


thank you , 


Andres Ortega-Guerrero



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