Install notes

Unpacked distribution zip-archive directory tree is showed on the Figure 1 as it should look for Windows (left part) and Linux (right part) distributions.

Figure 1: Paths tree on the first start

The meaning of the paths are:

• bin: computation codes and corresponding start scripts are placed here. HFAMPL should have permission to execute files in this folder. The computational codes are
  • ELWF - calculator of electron wave function of single atom;
  • XAFS95 - calculation of scattering parameters;
  • DATAMAKER - binding of XAFS95 output in one FEFF [1] path file (feff0001.dat).
• data: contains one file with symbols and numbers of atoms in Mendeley's Periodic Table. Needed read permission.
• sandbox: Used in the last stage of calculations. All data could be deleted so that directory could be in temp directory (like /tmp in Linux). Needed read and write permissions.
• calc: contains subdirectories with input and output files for computational codes. Most important is a subdirectory containing input files for first running code, ELWF. Write and read permissions required.

Figure: HFAMPL first start. No energy interval available for computation.