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In DFT simulations, 0.01 ev/Å on force is a very high convergence criterion. But if converge it to the pressure, you will find it still generate a super large residual pressure.
∵ 1N = 1J/m
∵ 1 eV=1.6*10-19 J
∴0.01 eV/Å =1.6*10-11N
Assume there is such a residual force on Pt111(1x1) (Pt lattice constant ~4 Å)
then it generate a pressure
0.01 eV/Å/(4√3Å2)
=1.6*10-11N/(4√3Å2)
=2.3*108 Pa
=2.3x103 Bar
=2.3 kBar
This is a few thousands atmospheric pressure
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