[Wien] single particle total energy

[Игорь Нечаев]

Dear Wien2k users,

I'm trying to calculate total energy of isolated particle and then energy of

Me_film + particle = ads_complex

adsorption process. I've constructed a primitive cell with a = b = c = 30
Bohr and particle RMT radii as in adsorption complex. Should I run regular
SCF calculation with this supercell using 1 k-point or do smth. else?

Thanks in advance,

                  Igor.
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