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Hello.
I have a question of calculation using VASP.
I read the paper that is adsorption of triplet oxygen molecule on silicon surface.
I know that triplet oxygen molecule is ground state.
Therefore, when I calculated oxygen molecule I use the 'ISPIN=2' in INCAR file.
However, that paper compare with singlet oxygen molecule adsorbed on silicon surface.

If I calculate same strucrue, How do I change INCAR options?

for example,
Do I change only 'ISPIN=2' in INCAR?

While I read this forum pages, I found option of 'NUPDOWN=1' .
What is this?
Do I write NUPDOWN in oxygen molecule calculation?

In the case of oxygen molecule on silicon surface,
INCAR file sames case of only oxygen molecule??

please help me...

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