[DFTB-Plus-User] SlaterKirkwood parameter

Wed Apr 30 08:53:57 CEST 2014

Dear all

      I want to optimize a double graphene ribbons using DFTB+. While considering dispersion interaction,    SlaterKirkwood parameters should be set. What are polarisability, van der Waals radius, effective charge of carbon and hydrogen atom in graphene? Thank you!

            Weiqi Li


2014-04-30 


tccliweiqi 
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