[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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