Geometry optimization with fixed ratio between lattice parameters

Francesco Ambrosio francesco... at epfl.ch
Tue Oct 27 12:01:38 CET 2015


Hello everybody,

I would like to know if it is possible in cp2k to perform a cell 
optimization keeping fixed the ratio a/c between the lattice parameters. 
I have looked in the cp2k reference manual but I could not find anything.

Thanks for your attention

Best Regards

Francesco Ambrosio




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