[QE-users] PBC in one dimension

[dv009200 at fh-muenster.de]

Dear QE-Users,

I'm wondering if it's possible to use something similar like the
'assume_isolated' option not only for clusters/molecules in a
three-dimensional supercell or surfaces for the two-dimensional case like
it is already described in the input description. But also for the
one-dimensional case for example if I want to perform calculations on
carbon nanotubes?

Best Regards

Dominik

Dominik Voigt, M.Sc.
PhD Student
University of Applied Sciences Münster
Department of Chemical Engineering