So long as we tested, the recommended energy and force convergences
are 10
eV and 10
Å/eV both when finding an equilibrium
structure and when obtaining forces in a displaced structure. However
it is difficult to have enough force convergence of an equilibrium
structure when an input cell is large. In such a case, try using
plus-minus setting introduced in Sec. 2.1.3.
togo
2009-02-12