[Wien] [Wien2k User Group] Transformation of structures

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

It is mentioned in the Wien2k website that only B setting for monoclinic
lattice are allowed. 

The Bilbao Crystallographic Server has a SETSTRU has a module for the
transformation of C12/m 1 symmetry to the following symmetries 

C12/m1 

A12/m1

I12/m1

A112/m

B112/m

I112/m

B2/m11

C2/m11

I2/m11

 

I have a structure with C12/m1 symmetry. Do I need to convert C12/m1 to
B112/m or B2/m11 for its subsequent use in Wien2k? 

 

 

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