Hi,
I am trying to run the bandstructure of Bi2Se3 with VASP5.4.1 compiled
with wannier90-1.2. In INCAR file I added "LWANNIER90=.TRUE.. However I am
getting the following error:
KPOINTS: Kpoints for band structure
interpolating k-points between supplied coordinates
k-points in reciprocal lattice
Space group operators:
irot det(A) alpha n_x n_y
n_z tau_x tau_y tau_z
1 1.000000 0.000000 1.000000 0.000000 0.000000
0.000000 0.000000 0.000000
-----------------------------------------------------------------------------
|
|
| W W AA RRRRR N N II N N GGGG
!!! |
| W W A A R R NN N II NN N G G
!!! |
| W W A A R R N N N II N N N G
!!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG
! |
| WW WW A A R R N NN II N NN G
G |
| W W A A R R N N II N N GGGG
!!! |
|
|
| Your generating k-point grid is not commensurate to the
symmetry |
| of the lattice. This can cause slow convergence with
respect |
| to k-points for HF type
calculations |
| suggested
SOLUTIONS: |
| ) if not already the case, use automatic k-point
generation |
| ) shift your grid to Gamma (G) (e.g. required for hex or fcc
lattice) |
|
|
-----------------------------------------------------------------------------
I am unable to find where the error is? Please address my problem.
thanks,
--
*P. Rambabu*
PhD Scholor
Physics, IIT Hyderabad
Mobile: 9074508220.
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