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Facing memory issue in BSSE calculations.
This is the first time that I am trying to calculate BSSE corrected energies. Say, I have a system of A+B with A=30 A atoms and B= 1 B atom. Firefly ran properly for E(A)ab, but strangely giving memory error for E(B)ab (notations are as per the manual). Why is this happening? and how to get over it. Please guide me.
Sat Jan 28 '17 4:08pm
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