[Wien] To know about Space Group of a Supercell

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Wed Jan 11 08:36:30 CET 2012


Run x sgroup

 

 

 

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From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Santu Baidya
Sent: Wednesday, January 11, 2012 12:28 PM
To: Wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] To know about Space Group of a Supercell

 

Dear Wien2k users,

        I am using Wien2k for a Supercell calculation but after making
Supercell the space group is shown to be undefined. But I need to know the
space group. Could anyone please tell me how can I get that space group.
Thank you.

Santu Baidya
India,
kolkata-700098
SNBNCBS

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