outpur pressure in NVT calculation
TZU-JEN LIN
tzujen... at gmail.com
Mon Mar 9 10:49:09 UTC 2015
Dear all CP2K users
I want to output pressure during NVT simulation.
In the MOTION/PRINT section, I add STRESS in it, but I can not find any
pressure information in the output file.
What is the correct way to output thermodynamic data in CP2K
The attachment is my input file.
Cheers,
Tzu-Jen Lin
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