Stars instead of numbers in the geom-opt task in periodic SCF FF (--gnfff) calculation.

[vvchaban]

Stars instead of numbers after many, ~500+ cycles of geometry optimization. Input files enclosed. All parameters are given through --input mdp

incoord.txt
mdp.txt

in the geom-opt task in periodic SCF FF (--gnfff) calculation.

[vvchaban]

Command line:
rm -f gfn* && ~/xtb-bleed/bin/xtb in.coord --input mdp --gfnff --opt --nocellopt > _logfile && mv xtb.trj eq.xyz