Thank you - I will try scaling XY and Z separatly. Dan
On Wed, Aug 1, 2018 at 4:12 AM, Lorenzo Paulatto <[email protected]> wrote: > Dear Dan, > I think you could get this effect by repeatedly alternating > cell_dofree="2Dshape" and cell_dofree="z". However, for an hexagonal > system, this won't do what I think you want to do. I.e. the hexagons can > still become distorted, if symmetry is broken. If symmetry is not broken, > you do not need any cell_dofree at all. > > kind regards > > > On 01/08/18 01:34, Dan Gil wrote: > >> Hi, >> >> I am having trouble understanding the pw.x documentation ( >> https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm29). >> >> Is there an option where changes in X&Y are coupled and changes in Z are >> independent? For example, the X&Y will change with the same ratio (say >> 1.01) but the Z can change with a different ratio (say 0.98). >> >> Best Regards, >> >> Dan Gil >> PhD Candidate >> Department of Chemical and Biomolecular Engineering >> Case Western Reserve University >> >> >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users >> >> > -- > Lorenzo Paulatto - Paris > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users >
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