[Error]should be no new maxima in edga refinement again

Bader charge density analysis

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stasoh
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[Error]should be no new maxima in edga refinement again

Post by stasoh »

I calculated again.
But, I have still same error message, please check this file.
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graeme
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Re: [Error]should be no new maxima in edga refinement again

Post by graeme »

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.
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