[CP2K-user] [CP2K:21223] Energy Minimization with Volume Constraint

[Niccolò Di Eugenio]

Hello,

I am trying to perform a cell optimisation on a material at a fixed volume, 
so only the ratios of the cell parameters to each other are able to change. 
I need to plot the energy-volume curve for an orthorhombic crystal. Is 
there anything implemented in CP2k which is able to do such thing, like the 
application of an external pressure?

Many thanks and cheers,
Niccolò


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