The command INTCRS allows you to determine (and print out) integral cross sections (in units of square Angstroms) from a previously calculated set of S matrices which have been written to file file {jobname}n.smt. The command line syntax is

INTCRS,{jobname},ienerg

where

• {jobnam}: the jobname under which the S matrices have been stored as {jobname}n.smt. Here n denotes the value of the parameter ienerg (see below). S-matrix (.smt) files can be generated by setting the flag WRSMAT = .true. The default value of {jobnam} is the value of the jobname you have set with the instruction JOB ={jobname}

❗ Note that for full close-coupling determinations of integral cross sections the previous calculations of the S matrices must have been done for both values of the parity index JLPAR (this is ensured by setting JLPAR=0; see the JLPAR frame for more information). If no value has been set, the default value of {jobname} is Job

• ienerg: The cardinal value of the energy for which the integral cross sections are to be computed. i.e. if ienerg = 2, then the second energy S matrix file {jobname}2.smt is used. The default value of inerg is 1

The calculated integral cross sections are printed out in file {jobname}{ienerg}.xxsc