Apparently, the xtb version found at http://www.thch.uni-bonn.de/tc/index.php?section=downloads&subsection=sTDA does not include GFN-xTB parameters yet. When an updated xtb version with GFN-xTB can be expected?
thank you for the interest in the xTB method(s). You can request the most recent xtb program, which includes the GFN-xTB method, via email ([email protected], see also Ref. 73 in the paper, which was just published in the composed form).