[Re:03] err in potenv...type not found

Posted on : September 28, 2022 (Wed) 14:04:20

by Hitoshi GOMI

Hello Jerry Lee,

I ran your input file, which reached the maximum number of iterations without convergence.
Therefore, I think your input file is grammatically correct.

It may help you to get convergence that you tune the parameters (such as ewidth???).
I have no experience with calculations involving f-electron systems, so I can't give you specific advice, but I think you need to take some trial and error...

Hitoshi GOMI