On Wed, 2015-01-07 at 17:30 +0530, Pallavi Bothra wrote:
> And in input, some flags (e.g. CELL_PARAMETERS angstrom) are working > in 4.3.2 version but angstrom should be excluded in 5.0.2 version not true. It's the double definition of the lattice parameter that is no longer accepted P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 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
