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calculation of binding energy

Posted: Wed Apr 01, 2009 7:27 am
by Isha
hi everyone
i am a beginner to Vasp,i want to calculate binding energy of cluster (1-20) .the energy i am getting is energy without entropy,if this is the binding energy,please tell me how to calculate it .thank u

calculation of binding energy

Posted: Mon Oct 12, 2009 3:25 pm
by admin
please subtract the energies of the free atoms from the total enery of the cluster (take the energies without entropy contribution)