Hello,
I wanted to add H-Atoms to one edge of an AGNR-structure using the command geom.add_Hatoms but I found that this comment was removed during one update (probably because the geometry module used currently is the one from sisl and not the one from the Hubbard code itself).
Is there another way of adding H-Atoms except creating a new .xyz file?
Thank you very much!
Lorenz
Hello,
I wanted to add H-Atoms to one edge of an AGNR-structure using the command
geom.add_Hatomsbut I found that this comment was removed during one update (probably because the geometry module used currently is the one from sisl and not the one from the Hubbard code itself).Is there another way of adding H-Atoms except creating a new .xyz file?
Thank you very much!
Lorenz