[CP2K-user] [CP2K:17763] question on the Basis Set Superposition Error

[Victor Volkov]

Dear members and developers:
good evening-morning.

I wish to ask your opinion, 
how dramatic would you think
this effect
https://en.wikipedia.org/wiki/Basis_set_superposition_error

may interfere with the binding energy and the perturbed density
as discussed in this tutorial
https://www.cp2k.org/exercises:2014_ethz_mmm:dye_tio

Is it relevant, and, if yes, 
what step-measures could be taken to anticipate this roughly, if possible?

Thank you.
Victor


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