Hello Every one I am a beginner of DFT calculations. I need to calculate the vibrational frequencies of TiO2. >From Q-E website, I have come to know that Q-E offers DFT+U calculation for ionic relaxation but not for vibrational frequency (phonons). can any one explain what will be difference in the absolute magnitude of vibrational modes if one calculate the frequencies with and with without U correction.
-- Best Regards Adnan UFJF. Brazil
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