Phoenix output format - Trovemaster/exocross GitHub Wiki
Phoenix is to used to convert the ExoMol line list into the Phoenix format. The input must specify the Voigt parameters, threshold to cut the intensities. Here is an example:
Range 6300.0 7500.0
threshold 1e-79
phoenix
species
H2 gamma 0.0155 n 0.41 t0 298.0 file 1H2-16O__air_69_a0.broad model a0 ratio 0.82
He gamma 0.1070 n 0.77 t0 298.0 file 1H2-16O__self_69_a0.broad model a0 ratio 0.18
end
NRAM 100000
NPROCS 8
output H2O_phoenix
States water.states
Transitions
a-06400.dat
a-06500.dat
end
The output is as follows:
elion lamba (nm) log(gf) E"(cm-1) gamma_H2 gamma_He n_H2
1 1562.500000 21 19823.1426 0.0471 0.2833 0.4505
1 1562.500000 21 21498.5625 0.0079 0.1410 0.4100
1 1562.500000 18 24496.7500 0.0155 0.1070 0.4100
1 1562.500000 23 21272.0605 0.0096 0.1671 0.4020
1 1562.500000 20 25219.1348 0.0155 0.1070 0.4100
1 1562.500000 21 26876.9883 0.0783 0.3740 0.6184
1 1562.500000 13 24295.3672 0.0665 0.3348 0.5687
Here elion
is Phoenix's molecule ID, gf is the oscillator strength, E" is the lower state term value, gamma and n are the Voigt parameters.