I am using ExoCross for the first time to generate spectral cross sections of ammonia (NH₃) using the ExoMol CoYuTe line list.
The line profile is Voigt, and I specify the species section with the .broad file available for air.
However, ExoCross stops with the following error when reading the .broad file:
Illegal n<=0 for m0 in .broad for ****
input line *****
m0 0.1044 0.950 -23.0
I noticed that this happens only when the last column (shift) is negative — if the same column has a positive value, the file is read successfully.
Input file used:
Absorption
Range 0.0001 12000.0
Npoints 179103
Temperature 300.0
Pressure 1.0
Abundance 1.0
Mass 17.0
Species
air gamma 0.045 n 0.70 t0 296.0 file /path/to/coyute/14N-1H3__air.broad
end
Voigt
offset 25.0
Output /path/to/results/
Threshold 1e-30
States /path/to/coyute/14N-1H3__CoYuTe.states
Transitions /path/to/coyute/14N-1H3__CoYuTe__00000-00100.trans