[DFTB-Plus-User] global minimum in DFTB+

101981000 jahanshahloo.h at gmail.com
Fri Dec 2 19:23:33 CET 2022


Hello
I’m running DFTB+ version 22.1 in order to obtain energy of water
adsorption on TiO2 surface.
For this purpose, I running numerous models and found the minimum energy
among their results.
Could you please let me know how I can obtain global minimum of absorption
energy? Thanks.
Hamid
Iran
tarbiat modares university
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