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Hello,

When I use LDIPOL=.TRUE. IDIPOL-4 DIPOL=0.5 0.5 0.5 to calculate the dipole moment of an isolated molecule, I see Tr[quadrupol] under the dipolmoment result line in the OUTCAR.

Does Tr[quadrupol] mean quadrupole moment of the molecule? If so, how is it calculated in VASP. Is its uint electrons*Angstrom^2 ?

Thanks

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