TDDFT for triplets

[xiaoming_wang]

Hello,

I'm testing TDDFT (ALGO=TDHF) for the excitation energies of formaldehyde. For singlet excitations, the result is consistent with literatures. However, for LTRIPLET=T, the excitation energy is simply the IP values and the orbital characters are also incorrect. Am I missing something?

Best,
Xiaoming

[support_vasp]

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