[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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