xtb optimization failes for gold-copper nanocluster

[OkKakao]

Describe the bug
Hi.

I'm trying to optimize gold-copper nanocluster to generate input file for CREST.

However, the initial mininmization was failed due to the convergence issue.

To Reproduce

My input file is the following

17

Au   19.922542   19.165959   13.079337
Au   20.990542   21.597259   14.235837
Au   21.607142   17.017959   14.071537
Au   23.466942   20.990559   15.764337
Au   21.065542   19.306259   15.851637
Au   23.673542   18.079559   15.709437
Cu   23.023742   14.634959   13.611037
Cu   19.347742   16.131319   15.748737
Cu   27.575442   18.393509   12.383237
Cu   19.055742   21.174059   16.491637
Au   22.668742   19.522259   13.545337
Au   25.414942   19.878659   14.011337
Au   24.346942   17.447359   12.854837
Au   23.730242   22.026659   13.019137
Au   21.870542   18.053979   11.326337
Au   24.271842   19.738359   11.239037
Au   21.663842   20.965059   11.381237

I tried the command

xtb input.xyz --opt tight

But this attempt was failed.

Also, I tried optimization after optimizing the structure with gfn1, but gfn2 always failed in calculating scf energy.

Rasing electron temperature was also not effective.

However, the following commandline calculation was terminated normaly

xtb input.xyz --opt tight --etemp 1000000

However, one million electron temperature is awkward.

I'm currently using xtb 6.6.1.

What can I do?

[OkKakao]

I handled this issue by using --gfn 1 rather than --gfn 2.

same as #1000.