Vasilii, thank you for advice, I'll check it. But this works only if I
don't put any geometry constraints. If I want ie fix the angles, I
never get even low values of stress components - only change of angles
will allow that. So in this case I need to take zero stress into
account. In some cases,
If your system is not too large, I'd advise that you determine the relaxed
lattice constants from a series of fixed-cell calculations, especially if
the system is more or less symmetrical. Although your stresses seem quite
low to me, I think that the only way to improve them might be, indeed, to
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