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 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110518/b2041d5d/attachment.htm>
