Table of Contents

Utility Program Code for hermsk

These are different utility programs I have available for parsing the output files created by the hermsk program. They are simple programs for extracting individual results (such as wave functions) and storing them in a easily plottable format.

Feel free to download the programs and experiment with them. If you have recommendations, you may email me (Mark D. Pauli) at Keep in mind that this is a hobby project that is a useful aside to my main research projects, so I do not update the programs too often and will only be improving the algorithms and usability as I have the time.

  • parsewf.hermsk.f
    Retrieve Normalized Radial Wavefunctions
    Sorts through hswf.out and parses the set of subshell wavefunctions into a two column file plottable format of rR(r) Vs. r. Each subshell is labelled with its quantum numbers n and l, as well as its electron occupancy.
  • parseall.hermsk.f
    Retrieve 110pt. Normalized Potential
    Sorts through hsall.out and parses the self-consistent potential into a single column file of U = -rV/2Z on the abridged 110pt mesh. The potential is listed in order of increasing r, starting with r = 0.
  • Created: June 14, 2001 --- Last Updated: December 4, 2001
    By Mark D. Pauli