[Pw_forum] problem with symmetry recognition

[Paolo Giannozzi]

On Jul 11, 2011, at 11:06 , Giuseppe Mattioli wrote:

> I think that a cell_dofree flag which allows one to retain the initial
> ibrav would be quite useful

retaining the starting lattice should be straightforward, because all
the symmetries of the starting bravais lattice are calculated and
available. Retaining a higher symmetry is more involved.

> I do not like to ask for things that I cannot implement by myself

...are you sure you cannot?

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222