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