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Parameter files

To use DFTB, you need to request parameter files at the DFTB.org web site, and put these files in the directory $ADFHOME/atomicdata/DFTB.

The DFTB naming scheme for parameter files, which are kept in $ADFHOME/atomicdata/DFTB is the same as the scheme used in the DFTB+ code. That is, the (mixed-case) name of each atom, separated by a hyphen, and including the extension 'skf' (Eg. C-Co.skf)

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