26 Jun
2016
26 Jun
'16
8:32 a.m.
Roohollah Hafizi wrote:
My question was about how to enter the geometry of a (1D) CNT in KWANT. Suppose that I want to enter the attached output.cif file, as a lead. How should I enter the atomic positions and ensure that the periodicity of the CNT is preserved?
An addition: you could of course also write a Kwant importer for CIF files. Can CIF files represent translational symmetry (for leads)? Christoph