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Dear all,

I try to calculate the strain effect on films.
Is it possible to fix the in-plane lattice vectors (a,b), allowing the c lattice parameter and internal ionic coordinates to relax?
I know ISIF=3 is to allow fully relaxation of all parameter, However, I need in-plane lattice vectors fixed.

Thanks.

unfortunately it is not possible to relax one lattice parameter selectively, please do a series of calculations with fixed x,y and different (fixed) z, and relax the ions as required (either fully, or by making use of the "selective dynamics".