Hi, I would like to calcualte total energy and bindign energy in silver nanocluster in dmol3.
I found list of energy in dmol3 outfile but I would like to know why my results is not similar the others and still have a big gap between them.
Hi, I would like to calcualte total energy and bindign energy in silver nanocluster in dmol3.
I found list of energy in dmol3 outfile but I would like to know why my results is not similar the others and still have a big gap between them.