Hi
I want to get binding energy of O2 mulecule .For this I need the correct value
for isolated atom energy. But when I change(reduce) the smearing ,the value of
energy increase. So I DONT know which smearing should I use? the larger or the
smaller?
thanks
Ali Kazempour
Physics department, Isfahan University of Technology
84156 Isfahan, Iran. Tel-1: +98 311 391 3733
Fax: +98 311 391 2376 Tel-2: +98 311 391 2375
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