Files and JOB Variable

All files written during a calculation, except the main output file, are designated {jobname}n.ext, where n denotes the energy at which the calculation has been carried out (n = 1 for first energy, n = 2 for second energy, etc.) and the file extension ext can be

ics for integral cross sections (created if the flag WRXSEC is set .true. and a necessary prerequisite to the command PRINTC)

xsc for selected integral cross sections (created by the command PRINTC)

smt for S matrix elements (created if the flag WRSMAT is set .true. or by the command OPTIMIZE; a necessary prerequisite to the commands PRINTS and DIFCRS)

dcs for differential cross sections (created by the command DIFCRS)

pcs for partial cross sections (created if the flag WRPART is set .true.)

psc for partial cross sections as output of the command PARTC)

tcb for a table of tensor cross sections (as output of the command TENXSC and necessary prerequisite for the command MRCRS)

tcs for tensor cross sections (as output of the command TENXSC)

mcs for a table of m-resolved integral cross sections (as output of the command MRCRS)

wfu for wavefunction transformation matrices (created if the flag WAVEFL is set .true. and a necessary prerequisite to the commands FLUX, EADIAB, and PSI)

psi for scattering wavefunctions (created by the command PSI)

flx for fluxes or adiabatic energies (as output of the commands FLUX and EADIAB)

JOB={jobname},

Both {jobname} and the file extensions are converted internally to lower case with the first character of {jobname} in upper case.

All of the above files are formatted, except the .smt, .tcb, and .wfu files which are unformatted (binary).