UT theoretical chemistry code forum

the old version 2.7 works well with the my problem, the calculation goes smoothly.

[quote="Richard789"]okay.. We all will take care of it[/quote] yet all of my bader charge analysis for the surface models obtain ERROR: should be no new maxima in edge refinement. is the bader charge analysis working well with the slab model in the DFT calculation, the model having vacuum ...