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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