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Hello, vasp users. I?m in trouble calculating band structure of graphene. (I?m very beginner of vasp.)
Here, I post my input files. Please check and give me some advice. Thank you.



In the first run, I set the input files like this.
INCAR
SYSTEM = gra
Startparameter for this run:
PREC = medium medium, high low
ISTART = 0 job : 0-new 1-cont 2-samecut
ICHARG = 2 charge: 1-file 2-atom 10-const
EDIFF = 0.1E-03 stopping-criterion for ELM
NSW = 0 number of steps for IOM
NBANDS = 30

KPOINTS
Monkhorst Pack
0
Monkhorst Pack
9 9 1
0 0 0

POSCAR
C
1
2.460 0.0 0.0
-1.23 2.1304225 0.0
0.0 0.0 20.0
2
Cartesian
0.000036717 1.420230989 10.00000000
1.229962743 0.710190569 10.00000000

POTCAR
I used PAW_GGA C 05Jan2001 POTCAR file.


In the second run, I changed INCAR and KPOINTS files.
INCAR
SYSTEM = gra
Startparameter for this run:
PREC = medium medium, high low
ISTART = 0 job : 0-new 1-cont 2-samecut
ICHARG = 11 charge: 1-file 2-atom 10-const (only change this line)
EDIFF = 0.1E-03 stopping-criterion for ELM
NSW = 0 number of steps for IOM
NBANDS = 30

KPOINTS
KPOINTS
10 ! 10 intersections
Line-mode
rec
.000000000000000 .000000000000000 .000000000000000 !(Gamma)
.000000000000000 .500000000000000 .000000000000000 !(M)

.000000000000000 .500000000000000 .000000000000000 !(M)
.333333333333333 .333333333333333 .000000000000000 !(K)

.333333333333333 .333333333333333 .000000000000000 !(K)
.000000000000000 .000000000000000 .000000000000000 !(Gamma)

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