@@ -874,7 +874,9 @@ def check_freq_scaling_factor(self):
874874 Check that the harmonic frequencies scaling factor is known,
875875 otherwise, and if ``calc_freq_factor`` is set to ``True``, spawn a calculation for it using Truhlar's method.
876876 """
877+ factor_source = 'user input'
877878 if self .freq_scale_factor is None :
879+ factor_source = 'database (ARC/data/freq_scale_factors.yml)'
878880 # The user did not specify a scaling factor, see if Arkane has it.
879881 freq_level = self .composite_method if self .composite_method is not None \
880882 else self .freq_level if self .freq_level is not None else None
@@ -883,15 +885,22 @@ def check_freq_scaling_factor(self):
883885 if self .freq_scale_factor is None :
884886 logger .info (f'Could not determine the harmonic frequencies scaling factor for { freq_level } .' )
885887 if self .calc_freq_factor :
888+ factor_source = "Truhlar's method"
886889 logger .info ("Calculating it using Truhlar's method." )
887890 logger .warning ("This procedure normally spawns QM jobs for various small species "
888891 "not directly asked for by the user.\n \n " )
889892 self .freq_scale_factor = determine_scaling_factors (levels = [freq_level ],
890893 ess_settings = self .ess_settings ,
891894 init_log = False )[0 ]
892895 else :
896+ factor_source = 'fallback default'
893897 logger .info ('Not calculating it, assuming a frequencies scaling factor of 1.' )
894898 self .freq_scale_factor = 1
899+ else :
900+ factor_source = 'not set (no composite/frequency level provided)'
901+
902+ logger .info (f'Using harmonic frequencies scaling factor: { self .freq_scale_factor } '
903+ f'(source: { factor_source } ).' )
895904
896905 def delete_leftovers (self ):
897906 """
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