On Mon, Sep 28, 2015 at 11:03 PM, Sohail Ahmad <sohailphys...@yahoo.co.in> wrote:
> cell_dofree = 'xy' > you cannot use this option: it breaks hexagonal symmetry. Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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