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Re^3: Simulation of Ag nanocluster.

Alex Granovsky
gran@classic.chem.msu.su


Hello Pratim,

>Thank you so much for the kind reply.
>Actually I am trying to make a series of conformations of Silver nanocluster and verify them via Firefly to find whether they are thermodynamically stable. Then I am going to attach a drug to it and find out the relative stabillity of the complex.
>The input file that you have sent back, contains two atoms of Ag, on the contrary the nanocluster should contain at least three Ag atoms. May you shed some light on it ?

This is ok. These are two symmetry-unique atoms in C2v symmetry group.
When expanded by symmetry these two unique atoms generates three
atoms.

Kind regards,
Alex Granovsky


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