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.
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  path
- 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.
HFAMPL first start. No energy interval available for computation.