The routine is required in order to set up the necessary storage for lev00 and compile it. The routine is not menu-driven and is compiled only ones in subdirectory SIESTA_Tools. Then, a logical link should be made to it in your /bin directory, e.g.
ln -s /TOOLS/SIESTA_Tools/get_param_siesta /bin/.
When you run the routine, it will prompt you first to choose the name of your job by showing all *.XV type files in the current directory, e.g.
Specify SYSTEM LABEL (char*20) for your SIESTA run:
***** XV-files in the current directory: *****
Ad_on_Au.XV
**********************************************
* Extention .XV should NOT be specified! *
**********************************************
Specify one name and press ENTER. The routine will go through the output and density files, and the output like the one below will follow, after which the routine will stop:
Reading from Ad_on_Au.XV ...
Reading from Ad_on_Au.XV geometry ...
SIESTA: found lattice vectors:
[1] 14.78217 0.00000 0.00000
[2] 7.39108 12.80173 0.00000
[3] 0.00000 0.00000 27.00001
SIESTA: found NIONS = 140
SIESTA: found NSPEC = 4
Done geometry!
SIESTA: setting NKPTS = 1
SIESTA: setting NBANDS = 1
O.K.! This Ad_on_Au.XV is fine! Let us proceed!
reading lattice vectors ...
reading ngx ...
YES! Found FORMATTED density file Ad_on_Au.RHO
14.7821682 0. 0.
7.39108414 12.8017333 0.
0. 0. 27.0000119
SIESTA: found NGX= 120,NGY= 120,NGZ= 240
SIESTA: file Ad_on_Au.RHO does not contain SPIN density
You will find a param.inc file in the current directory corresponding to the chosen job. Run the lev00.comp script to get lev00 in the same directory.