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Hi
I am calculating the energy of molecule in Box for non-magnetic atom such as C or O in order to use it later for adsorption calculations.
For example for carbon atom using ismear=1 and MGMOM=Number of ions * 0 I got totally different result(-0.50) when I use the default MGMOM value(-1.6).Any advice?
Thanks

Hi microomran,

do you need a howto or do you want to learn sth.? ;-)

Cheers,

alex