constrained cell optimisation

hfruchtl hfru... at
Sun Dec 18 22:56:32 UTC 2011

Dear all,

I want to optimise a 2-dimensional network of molecules while keeping
the inter-layer distance fixed at a large value. Is it possible to
constrain one lattice vector and the cell angles connected to it? Or
is there a different way of achieving what I want?

This question seems to have been asked here in 2008, and the answer
was "no", but one shouldn't give up hope...

Thanks in advance,


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