[QE-users] Appropriate option for cell_dofree with hexagonal cell and variable cell relaxation

[Dan Gil]

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
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