Dear Clemens,

Multiwfn doesn't formally support DFTB+.

At semiempirical level, currently only the .molden file generated by xtb code at GFN-xTB level is supported.

Best,

Tian

Dear all,

Is it possible to combine DFTB+ calculations (https://github.com/dftbplus/dftbplus, https://dftbplus-recipes.readthedocs.io … ndex.html) with Multiwfn analysis? I did not find any information through a web search, and DFTB+ does not seem to output wavefunction files (FCHK or so). 

Thanks for your help and best,
Clemens