Hi, I was trying to use SMD solvent model for point calculations with ωB97M-V and B3LYP calculations in Q-Chem 5.2 (local version) and 5.3 (HPC) with several solvents. It worked great with water and ethanol, but failed for dimethyl sulfide and tetrahydrofuran. Output terminates with:
Q-Chem fatal error occurred in module libsmx/solvent_code.C, line 194: Unrecognized solvent for SM8 calculations
In addition to that DMSO is even not parsed correctly, it recognizes only DIMETHYL and nothing else:
Name = DIMETHYL
I double checked, and e.g. it works for hexanoic acid. Could anyone elaborate on this issue? I do understand that one can make “other” type and create a solvent_data file (worked out for DMSO), but is there another way?