Hi folks

I want to ask you guys for graphene band gap

In experiements, it was found that the band gap of graphene monolayer is 0.

Is it possible to get the zero band gap of graphene theoretically??

In my calculations, the band gap was not zero...

Somebody has a experience for pure graphene band gap calculations. Let me know you guys opinions

I wrote my detailed calculation conditions and attached the figures for DOS and Band Structure

Best wishes

# Task parameters
Calculate                     optimize
Opt_energy_convergence        1.0000e-005
Opt_gradient_convergence      2.0000e-003 A
Opt_displacement_convergence  5.0000e-003 A
Opt_iterations                50
Opt_max_displacement          0.3000 A
Symmetry                      on
Max_memory                    2048

# Electronic parameters
Spin_polarization             restricted
Charge                        0
Basis                         dnp
Pseudopotential               none
Functional                    gga(p91)
Aux_density                   octupole
Integration_grid              fine
Occupation                    thermal 0.0010
Cutoff_Global                 3.7000 angstrom
Scf_density_convergence       1.0000e-006
Scf_charge_mixing             0.2000
Scf_iterations                50
Scf_diis                      6 pulay