[CP2K-user] what is the difference if MT solver or standard solver is used for XY peroidic bouondary?
Dragon Don
shin... at gmail.com
Fri Jun 11 02:43:22 UTC 2021
Hi,folks!
I am trying to calculate adsorption of a charged molecule onto a XY
peroidic slab(without Z peroidicity). but i dont know what kind of solver
should I use,It seems that both MT and standard solver can work normally in
this spin polarized calculation. Then the geo-opt, energy as well as the
vibration analysis will be further performed for binding energy, DOS and
free energy,respectively. But I get stuck here because I do not know what
the difference is between MT and peroidic standard solver, or which one is
more reasonable in our condition and why?
Looking forward for your advice!
-Don
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