ABINIT Discussion Forums

During the geometry optimisation, the following WARNING appears frequently:

--- !WARNING
src_file: mkdenpos.F90
src_line: 176
message: |
Density went too small (lower than xc_denpos) at 130203 points
and was set to xc_denpos = 1.00E-14. Lowest was -0.64E-04.
Likely due to too low boxcut or too low ecut for pseudopotential core charge.

I already increased the value of pawecutdg, but without success. The warning message remained.

Is it something to be worried about and what should I do to resolve? Or can I simply ignore it?

Hi

I can't think of a single calculation that did not display this warning. I never paid it any attention and think you should do the same!

Cheers
Boris

Dear Boris,

Thank you for your feedback, I appreciate this a lot.

It is good to hear that one might ignore this warning.

However the log file is completely flooded by this warning. It is hard to detect other warnings.

It might be a solution to show only 10 warnings of this type and to summarise the following with a notice on how often this kind of warning occurred.