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 mpauli@uwm.edu. 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