Command FileName

Command format

FileName File-Type File-Name Position

The parameter File-Type specifies which output file, with name File-Name, is being defined. The input parameter Position is optional and if peresent it specifies the value of the POSITION parameter in the FORTRAN OPEN statement. Two possible values are REWIND and APPEND. The default value is APPEND.

Possible values for File-Type

MatrixElements
this specifies where variational matrix elements are put. For electron scattering this is where the T-matrix elements are stored. For photoionizaiton this is where the idynamical coefficients are stored.
PlotData
this is the file where two-dimensional data suitable for plotting are put.
AWaveFun
this is the file where adiabatic resonance wave functions are put
SWaveFun
this is the file where spherical resonance wave functions are put
ViewOrb
this is the file where orbitals expanded using ViewOrb are written
ViewOrbFlux
this is the file where the flux and its divergence for the orbitals expanded using ViewOrb are written
ViewOrbGeom
this is the file where geometry information needed to intrepret the output from ViewOrb is written
OrientData
this is the file where molecular frame data from OrientCro is written
OrientGeom
this is the file where geometry information compatible with the data from OrientCro is written
DebugOut
this is used as the stem of a file for debugging output where each processor writes the output to a different file.

Examples of use