[Wien] Elastic constants for Orthorhombic Case (128 atom Supercell)

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Sat Oct 1 11:54:26 CEST 2011


Dear Wien2k users, 

I created a 128 atom supercell in wien2k subsequent to which the symmetry
reduced to Space Group 51. I would like to calculate the elastic constants
of this structure. Can anybody suggest the methodology in Wien2k? 

 

Any suggestions would be helpful

 

SG 

 

 

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