Dear All,
this error message may appear when doing geometry optimisation using lbfgs
for molecule in a box. It doesn't seem to appear for 'cg' or 'sqnm' ; not tested with MD.
Inputs files are provided
Conquest_halo_rem_error.tar.gz
Best regards,
Lionel
Dear All,
this error message may appear when doing geometry optimisation using lbfgs
for molecule in a box. It doesn't seem to appear for 'cg' or 'sqnm' ; not tested with MD.
Inputs files are provided
Conquest_halo_rem_error.tar.gz
Best regards,
Lionel