Dear All,
I'm calculating for an insulator material with a bandgap.
However, I need to do spin optimization, so I checked the metal option and set smearing even though it is an insulator material.
The optimization was performed with the GGA/PBE functional, and the band structure was analyzed with the unscreened HF functional.
In this case (metal check), I can find an error about the divergence correction, and Mr. Victor in the link below gave a keyword for the divergence correction off.
Is there any problem with the calculated result by simply turning off this option? Is there anything I should pay attention to?
If anyone knows please help.
