UT theoretical chemistry code forum

It seems that the new version of 0.95a still has the same problem.

I have also tried the old version 0.28, which works well. Then what are the differences between the current version 0.95 and the older ones in addressing charge data?

[quote="graeme"]In the previous case there was a problem with the charge density file. Make sure that it seems reasonable, for example, by visualizing it. If it looks ok, you can post it and I'll take a look at the problem.[/quote]

Hi, graeme, I get the same error when running the bader analysis. I ...