Last from few days, I am trying to replicate phonon graph of Graphene monolayer but I am not able to replicate it. I am attaching input files and phonon graph. please see the attached file and help me for the same.
Please choose crystal type P63/MMC and atomic positions accordingly .. if you are trying for two atom configuration judging from input file.
In DFT calculation the output depends on number of parameters like kinetic energy cutoff, MK pack scheme, scf cycles in geometry optimization.
If you need further assistance you can go through various articles regarding the dft calculation for monolayer graphene and try to simulate according to the parameters they used . Even if after that there is +- 0-2 percent error that much is satisfactory as sometimes the software approach like Quantum espresso, tubermole , guassian, castep they all will give a bit different results as they adopt different functional approach viz PAA, GGA-PBE, Hartee fock etc...