[Wien] DFTD4

[Laurence Marks]

Answering my own question, see
https://github.com/grimme-lab/mctc-lib/issues/60. It is a bug with one atom.
Adding a space in front of the second "1" cures this (but might have other
consequences).
"

On Wed, Feb 21, 2024 at 1:27 PM Laurence Marks <laurence.marks at gmail.com>
wrote:

> Has anyone got the recent dftd4 version working? The "abc" option appears
> to no longer be relevant, and when I test it (simple bcc) I get at the
> terminal:
>
> [Error]: Number of atom types mismatches the number of counts
>
> d3 appears to work.
>
> --
> Professor Laurence Marks (Laurie)
> Northwestern University
> Webpage <http://www.numis.northwestern.edu> and Google Scholar link
> <http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en>
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Györgyi
>


-- 
Professor Laurence Marks (Laurie)
Northwestern University
Webpage <http://www.numis.northwestern.edu> and Google Scholar link
<http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en>
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
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