[Pw_forum] why SCF calculation for isolated atom is tricky

[udayagiri sai babu]

In the forum I have seen the statement like doing scf calculation for an
isolated atom is tricky. Can somebody explain me why is this so? and then
while testing a pseudo potential is it a good idea to calculate cohesive
energies (which involves isolated atom) and compare as we do for lattice
parameter and bulk modulus.
-- 
U.Saibabu
PhD student,
Deformation mechanisms modeling group,
Materials engineering department,
IISc Bangalore,
India.
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