Command MFDCS

Comand format

MFDCS Energy-1 Energy-2 ...

This command computes to elastic differential scattering cross section in the molecular frame without including any correction for dipole scattering. If any Energy-n are present, then the MFDCS is computed at these energies. Otherwise the MFDCS is computed at all energies for which T-matrices for all symmetries have been computed. The T-matrices are obtained from the internal data structure for the T-matrix elements created using the MatrixElementsCollect and MatrixElementsCombine commands. If the internal data structure is not present, then the T-matrix elements are taken from the scratch file used for the output from Scat. If the PlotData file has been defined then the computed DCS are also written to that file.

The command FileName is used to select what is written out and where it is put.

• The file MFDCSGeom is where geometry information is written for single orientation calculations
• The file MFDCS is where the 2-dimensional differential cross sections are written in .dat format
• The file MFDCSFull is where the full list differential cross sections are written using a RThType = 3 type run

Data records used

• MFDCSInp, Information needed to compute the MFDCS

Optional data records used

• Label, used it the text written to PlotData.