[gpaw-users] calculation with UnitCellFilter

[Ask Hjorth Larsen]

Hi

2012/12/3 Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>:
> Hi,
>
> the problem is one cannot use trajectory directly with UnitCellFilter (and
> similar),
> as with "standard" positions optimizer. See a workaround example attached
> (https://wiki.fysik.dtu.dk/ase/tutorials/lattice_constant.html#using-the-stress-tensor).
>
> Anybody knows how to implement an error message in such cases?
>
> Marcin

Which cases?

Regards
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