On Wed, Jun 14, 2017 at 9:37 AM, Marco Di Gennaro <[email protected]> wrote:
> So I wonder, what is the exact syntax for this? ibrav = 4, a=..., c=..., space_group = 168, nat = 1 (only symmetry-independent atoms) ATOMIC_POSITIONS crystal_sg Si 6d 0.1 0.2 0.3 also accepted: Si 0.1 0.2 0.3 > the code crashes shortly after check that your distances are reasonable P. -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
