[Pw_forum] ibrav = 13 monoclinic-base-centered unique axis

Ludwig, Stephan stephan.ludwig at pi1.physik.uni-stuttgart.de
Wed Sep 23 11:17:39 CEST 2015


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


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