[Wien] [Wien2k Users] Breaking symmetry in Wien2k for supercells

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Tue Jan 26 09:53:27 CET 2010


Dear Wien2k users, 

If we are doing a supercell calculation for a partially ordered phase or an
alloy ( we consider that it is not an impurity calculation), then how do we
break the symmetry in such a case in Wien2k? 

Any suggestions would be useful. 

 

Suddhasattwa 

 

 

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