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

[Andrea Dal Corso]

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
> 
> 
> 
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