My Community

Hi communitors

Recently, i calculated single-layer graphene with VASP

The all calculations for SLG showed the 0 density state in

Fermi level. However, i obtained the different result with

others and i can't not understand what is the problem.

Thus, i'm asking you guys to solve this problem.

Could you someone help me??

I upload the cartesian coordinate and detail calculation setup

single graphene
1.00000000000000
8.521686509137260 -4.919998000000000 0.00000000000
0.000000 9.8399960000000000 0.00000000000000
0.0000000000 0.00000000 27.2389000000000000
32
Selective dynamics
C
2.15130000 1.21870000 6.55800000 T T T
8.54260000 -2.47130000 6.55800000 T T T
8.54260000 4.90870000 6.55800000 T T T
7.83240000 6.13870000 6.55800000 T T T
1.44120000 9.82870000 6.55800000 T T T
1.44120000 2.44870000 6.55800000 T T T
4.28170000 -0.01130000 6.55800000 T T T
8.54260000 -0.01130000 6.55800000 T T T
6.41210000 3.67870000 6.55800000 T T T
5.70200000 7.36870000 6.55800000 T T T
1.44120000 7.36870000 6.55800000 T T T
3.57160000 3.67870000 6.55800000 T T T
1.44120000 4.90870000 6.55800000 T T T
3.57160000 8.59870000 6.55800000 T T T
5.70200000 4.90870000 6.55800000 T T T
8.54260000 2.44870000 6.55800000 T T T
6.41210000 -1.24130000 6.55800000 T T T
4.28170000 2.44870000 6.55800000 T T T
3.57160000 1.21870000 6.55800000 T T T
7.83240000 -1.24130000 6.55800000 T T T
7.83240000 3.67870000 6.55800000 T T T
6.41210000 6.13870000 6.55800000 T T T
2.15130000 8.59870000 6.55800000 T T T
2.15130000 3.67870000 6.55800000 T T T
5.70200000 -0.01130000 6.55800000 T T T
7.83240000 1.21870000 6.55800000 T T T
5.70200000 2.44870000 6.55800000 T T T
4.28170000 7.36870000 6.55800000 T T T
2.15130000 6.13870000 6.55800000 T T T
4.28170000 4.90870000 6.55800000 T T T
6.41210000 1.21870000 6.55800000 T T T
3.57160000 6.13870000 6.55800000 T T T

I used GGA method with PBE_PAW

examine this : http://cms.mpi.univie.ac.at/vasp/vasp/A ... tions.html