calculating band structure of graphne

[d7cf88]

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)

[support_vasp]

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP