Dear all siesta users When I use siesta to calculate the bandstructure of two-dimensional graphene, I always a bad result, which is very different from the acknowledged results in published literatures. But I don't know what is wrong with my input file: coordinate, parameters, or something else. I have attached my input fdf-file. Could someone please point out what is the problem? It is also very appriciated to share an input file for bandstructure calculations of graphene.
Thanks in advance.! Best regards Liangzhi Kou
grapheneband.fdf
Description: grapheneband.fdf
