Selection of values for MAGMOM tag in Ti2CO2 ?

17 May 2023 0 8K Report

I want to calculate the magnetic properties of Ti2CO2 using VASP but I am confused about the MAGMOM tag. What values I must take in my MAGMOM tag for ferromagnetism and antiferromagnetism calculation? The structure includes 2 Ti-atoms, 1 C-atom, and 2 O-atoms.

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