QCG failed with Hexane as solute

[ik160]

I attempted QCG calculations for various hydrocarbons, but was unable to calculate for hexane as solute. I was able to calculate without any problems from C1 to C5, and C7.
When I look at the results, the ellipsoid axis of the solute is all NaN, and I think this might be the cause. Is there a way to deal with this? Please advise.

crest version is 3.0. xtb version is 6.7.0. xtbiff version is 1.1.

command $ crest hexane. xyz - qcg hexane. xyz - gfnff - xtbiff

[pprcht]

this seems to have been a proper bug, should be fixed with #300 and the continuous release thanks!

[pprcht]

I'm closing the issue for now.