Clusters involving [Ag,C,H] atoms with SCC-DFTB : parameters, input files and structures.

The file contains three directories.

1. SK files:  contain two directories that include the SK files with the parameters developed at LCPQ for silver-hydrocarbonclusters at the SCC-DFTB level without and with spin-polarization; skf-gamma and skf-gammapol directories respectively.
2. Structures : optimized structures of AgxCyHz clusters using the two sets of parameters.
3. input_exampe_ag8c10h8 : examples of input files for DFTB+ calculations using three types of parameters (gamma, gammapol and hyb, the latter being available on the dftb.org website.)