<div dir="ltr"><div>Dear Users,</div><div><br></div><div><br></div><div>I am wondering if we must do the relaxation for all calculations.</div><div>I have found some first principles studies with experimental lattice constants, including Dr. Novak's work "PRB 71, 1844422 (2005)."</div>
<div>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.</div><div>Could anybody please give me some guidance?</div>
<div><br></div><div><br></div><div>All my best</div><div>Jihoon Park</div></div>