[Error]should be no new maxima in edga refinement again
Posted: Fri Aug 05, 2016 5:04 am
I calculated again.
But, I have still same error message, please check this file.
But, I have still same error message, please check this file.
Now your AECCAR0 is full of 'nan' (not a number). I don't know why this is happening, but the bader program requires sensible input files.
If you just run "bader CHGCAR" you will get a reasonable result.