VASP tips: Energy and force convergence

So long as we tested, the recommended energy and force convergences are 10$ ^{-8}$ eV and 10$ ^{-6}$ 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
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