[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20181024/ae450537/attachment.html>


More information about the DFTB-Plus-User mailing list