Xabier Diaz de Cerio

Passivate edges in carbon nanostructures

5

Hi, I work with graphene nanostructures like graphene nanoribbons and nanoporous graphene, and I think there may be many other SISL users that very find useful the `agnr`, `zgnr`, `graphene_nanoribbons`....

Issue generating wave functions when atoms are in cell boundaries

11

I am working with skewed cells like the one below.  Cell vectors are: A=[-62.718, -36.210, 0.000], B=[-4.919, 144.840, 0.000], C=[0.000, 0.000, 15.000] Some of...