[ase-users] Lammps compiling with ASE

Abid Channa abid_channa04 at yahoo.com
Mon Feb 10 11:52:39 CET 2020


 Hi,
I'm a new user of lammps compiling with the interface of ASE (Atomic Simulation environment). I'm trying to test the  Au-Si potential (available at NIST) before moving to DFT calculations. I'm interested in calculating the Binding energies of Au atoms at different sites on Si solid surface. 
Is there anyone who has experience in such type of similar studies? 

Best,
Abid   

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