[Wien] Regarding monoclinic space group (C2/m)

[Ghosh SUDDHASATTWA]

Use Bilbao server and the SETSTRU program to change your settings from C2/m
to B2/m. Export the cif file to Wien2k struct file. 

 

Cheers 

 

 

  _____  

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of yedu kondalu
Sent: Wednesday, November 30, 2011 11:07 AM
To: wien at zeus.theochem.tuwien.ac.at
Cc: Ganapathy Vaitheeswaran
Subject: [Wien] Regarding monoclinic space group (C2/m)

 


Dear Wien2k users,
     
            we are using wien2k_11 version, in which the monoclinic space
group 12 has only one space group i.e B2/m, but our crystal structure
belongs to C2/m (12) space group, which is not available in this version of
Wien2k. 
How to include the space group which we need ??   

Thank you very  in advance      


                 Regards
            Yedukondalu



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