Command OrientCro

Comand format

OrientCro Energy File-1 File-2 ...

This command computes the differential cross section for an oriented, i.e. fixed in space, molecule from the dynamical coefficients. The value of Energy (in eV) selects which photoelectron kinetic energy to consider.

If the variables File-n are present, then the dynamical coefficients in those files are processed. Otherwise, the program uses the automatically generated scratch file as described in the definition of the command PhIon.

If the OrientData file has been defined then the data is also written to that file.

If the OrientGeom file has been defined then the geometry data is written to that file if that data is available

Data records used

Optional data records used

Examples of use