[Wien] Volume Optimization under Constant External Pressure (3 GPa to 30 GPa)

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Wed May 18 04:47:44 CEST 2011


Dear Wien2k users, 

Can anybody suggest as to how do we optimize the volume of crystal under
constant external pressure in Wien2k? I would like to vary the external
pressure from 3 GPa to 30 GPa. How do we input the pressure in the
calculations 

Thanks 

Suddhasattwa

 

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