My Community

I went through all the steps in your convergence flow sheet without achieving convergence. I know my geometry is ok because it converged with looser limits.

I have attached each INCAR used at each step in the flowsheet and the errors obtained are also in the INCARS. The POSCAR is also attached

Hello!

Can you please also attach the POTCAR and KPOINTS file you used, according to the forum posting guidelines. Also add the individual OUTCAR files and, if you still have it, the stdout output of those runs. With this information it is much easier for us to identify potential issues. Thank you!

Best,
Andreas Singraber