[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,

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