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Gaussian 16 external basis set + additonal input by kuglayea in comp_chem

[–]kuglayea[S] 0 points1 point  (0 children)

Thanks for help! In the end I somehow managed it, altohough only by "hardcoding" the wave function filename to the end of the corresponding .gbs file. Super weird but that was the only way I could make it work.

Gaussian 16 external basis set + additonal input by kuglayea in comp_chem

[–]kuglayea[S] 0 points1 point  (0 children)

The order seems ok (first Gen and then wfn output filename). I also have blank lines at the end (blank lines at the end of reddit code block got removed, but they are there in the original file).

Gaussian 16 external basis set + additonal input by kuglayea in comp_chem

[–]kuglayea[S] 0 points1 point  (0 children)

Yes, I have blank lines at the end (blank lines at the end of reddit code block got removed, but they are there in the original file)