<br> Hello, everyone,<br><br> I have a question about smearing methods and relaxation, in particularly tetrahedron method and structural optimization in case of metals. VASP manual recommends do not use tetrahedron method in relaxation of metals because this method is not variational with respect to
the partial occupancies, which means, that the calculated forces are wrong by
5 to 10 % in metals. Is it applicable in pwscf case? I am studying magnetic system (which is metal without U correction, and should be insulator with LSDA+U) and I am not sure it is good idea to use 'tetrahedra' in this case. What do you suggest?
<br><br> Regards,<br><br> JK<br>