I am a new user. I want to replicate the band structure for a schwarzite (figure 13: D. C. Miller, M. Terrones, H. Terrones. "Mechanical properties of hypothetical graphene foams: Giant Schwarzites". Carbon. Vol 96, January 2016, Pages 1191–1199. doi:10.1016/j.carbon.2015.10.040).
I obtained the pdb from the authors, it is constructed as such:
celldimension_x celldimension_y celldimension_z
atomtype x y z
My question is, how exactly would one input this sort of structure into a normal input.xml file (like the ones in the tutorials)?
Also, I am not sure whether it is of any use but the symmetry groups are given in the paper and they use a cubic lattice for their calculations.