Dear Users,
I am wondering if we must do the relaxation for all calculations. I have found some first principles studies with experimental lattice constants, including Dr. Novak's work "PRB 71, 1844422 (2005)." Therefore, I need to know if the first principles calculations with experimental lattice constants are reliable or in what case, it is good enough or somethings. Could anybody please give me some guidance? All my best Jihoon Park
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