01 January 1970 7 9K Report

I am VASP user and trying to reproduce the band structure of graphene, my methodology is as follows,

Step-1: Calculating the SCF (corresponding INCAR named as - INCAR-SCF) with 12x12x1 K-points.

Step-2: Copying the CHGCAR & CONTCAR obtained from step-1 and calculating non-SCF (INCAR-NonSCF) with 12x12x1 (Gamma) K-points.

Step-3 Copying CONTCAR, CHGCAR & WAVECAR from step-2 and calculating band structure (KPOINT-Kpoint path for Band structure) with same INCAR used for step-2

The resulting band structure ends up with the band gap (screenshot) (zero is the fermi level).

I played with different ISMEAR tags, but it doesn't gave fruitful result.

Any suggestions on this are very helpful and appreciated

Thank you

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