Dear Colleagues!
I have some questions.
I want to calculate the electronic structure of the TiO2, ZO2 and BaTiO3 nanoclusters and get good value of bandgap.
I read the manual. So, need I take the parameters assume_isolated and lda_plus_u?
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Best regards,
Andrey Chibisov. Ph.D.
Numerical method of mathematical physics Laboratory,
Computational Center, Russian Academy of Sciences.
Khabarovsk, Russia
Web page: https://www.researchgate.net/profile/A_Chibisov
http://ru.linkedin.com/pub/andrey-chibisov/55/253/986/en
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