Thermochemistry - molecule/slab complexation Gibbs

[mdsimula...@gmail.com]

Hello,

I am calculating the complexation energy of some small fragments complexing with a metal slab.  Is it possible to calculate thermochemistry data for a slab complex?  In the vibrational analysis section, it states that thermochemistry is only valid for gas phase structures:  https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/VIBRATIONAL_ANALYSIS.html

If more information regarding the system is needed, please let me know.

Cheers,

Kenny

[mdsimula...@gmail.com]

Hello all,

I'm going to bump this because I'm interested in calculating thermochemistry on a slab material.

Thanks,

Kenny