<div dir="ltr"><div><div>Hi,<br></div> 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:<br><br><br><br> KPOINTS: Kpoints for band structure <br> interpolating k-points between supplied coordinates<br> k-points in reciprocal lattice<br>Space group operators:<br> irot det(A) alpha n_x n_y n_z tau_x tau_y tau_z<br> 1 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000<br><br> -----------------------------<wbr>------------------------------<wbr>------------------ <br>| <wbr> <wbr> |<br>| W W AA RRRRR N N II N N GGGG !!! |<br>| W W A A R R NN N II NN N G G !!! |<br>| W W A A R R N N N II N N N G !!! |<br>| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |<br>| WW WW A A R R N NN II N NN G G |<br>| W W A A R R N N II N N GGGG !!! |<br>| <wbr> <wbr> |<br>| Your generating k-point grid is not commensurate to the symmetry |<br>| of the lattice. This can cause slow convergence with respect |<br>| to k-points for HF type calculations <wbr> |<br>| suggested SOLUTIONS: <wbr> |<br>| ) if not already the case, use automatic k-point generation |<br>| ) shift your grid to Gamma (G) (e.g. required for hex or fcc lattice) |<br>| <wbr> <wbr> |<br> -----------------------------<wbr>------------------------------<wbr>------------------ <br><br><br></div>I am unable to find where the error is? Please address my problem. <br><br clear="all">thanks,<br>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div><b>P. Rambabu</b><br></div>PhD Scholor<br></div><div>Physics, IIT Hyderabad<br></div></div>Mobile: 9074508220.<br></div></div></div></div></div></div>
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