[DFTB-Plus-User] CeO2-H2O

Marco Fronzi marco.fronzi at gmail.com
Wed Oct 24 03:09:57 CEST 2018


Hi,

I am running some calculations with DFTB+ and I would like to do analyse
CeO2 in a liquid-water environment. However, I cannot find the complete set
of .skf files. Is it possible to have the .skf files relative to my
calculations?

Thanks,

Marco
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