In recent versions of QE ibrav=-13
is allowed for b-unique base centered monoclinic. HTH, Andrea On Wed, 2015-09-23 at 11:17 +0200, Ludwig, Stephan wrote: > Hello, > > > > I want to work on a salt with space group monoclinic-base centered. This > means ibrav=13 in th input file. > > For simple monoclinic lattices there are two distinct possibilties to choose > the unique axis (ibrav=12 or -12). > > Ibrav=13 obviously chooses the c-axis to be the unique one. > > Is there a possibility to choose the b-axis to be unique? > > > > Thanks and regards > > > > Stephan > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: [email protected] _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
