Command PSI

The command line syntax is line is

PSI,{jobname},,INITIAL-J,INITIAL-L,INITIAL-IND

{jobname}:  the jobname under which the wavefunction information from the previous calculation is stored, as the file {jobname}.wfu In order to create the {jobname}.wfu file, the previous calculation must have been carried out with the flags WAVEFL and AIRYFL both set .true.

INITIAL-J:  the rotational angular momentum of the incoming channel

INITIAL-L:  the orbital angular momentum of the incoming channel

INITIAL-IND:  the value of additional index for the incoming channel

All selected components of the scattering wavefunctions are written to the file {jobname}.psi. The output is two successive matrices, corresponding, respectively, to the real and imaginary parts of F(R). The rows correspond to the successive values of R and the columns, to the components of F(R) which have been selected as described in the preceding paragraph.

The wavefunction is determined at all values of R lying between RSTART and RENDAI, with the grid size and spacing controlled by the same parameters which govern the LOGD and AIRY integration, namely SPAC, FSTFAC, TOLAI, and RINCR. In the output file {jobname}.psithe points that correspond to the AIRY integration range (RENDLD < R < RENDAI) are designated with negative value of R.

It is essential that SPAC be signficantly less than the DeBroglie wavelength (which can be determined with the command DEBROGLI) is order to get a meaningful representation of the wavefunction.