[CP2K-user] Calculation of cohesive energy and binding energy
Nimali Rathnayake
nimalira... at gmail.com
Thu May 23 00:57:07 UTC 2019
Hello everyone,
Can you explain me how to calculate the cohesive and binding energy of
graphite using energy calculations in cp2k?
For my system I am considering on Li and graphite.
Please explain me how to do the calculation properly using the data in .OUT
in energy calculations.
--
Thank you,
Best Regards,
Nimali
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