General programs
go back to Main Page, Computational Resources, Scripts
F77 General Programs
- RADIAL DISTRIBUTION FUNCTION (RDF)
You can find the definition of RDF in the following:
Name: x.RDF
Launching: x.RDF > output (in output some details of the calculation are reported)
Output file: Global.dat, fort.X (see below)
Used files/subprograms: none
INSTALLATION STEPS
1) First of all, download the program:
File:Cell.tgz
uncompress it and compile it: f77 Cell.f -o x.Cell. Place it in a directory of your choice (for simplicity, named directory A).
2) Download the script:
File:Ngeom.tgz
and uncompress it.
3) CHANGE IN LINE 14 OF ngeom.sh path=/home/lbellarosa/src/complex/Cell with the path of where you put your directory A.
4) Now you can run the script typing:
ngeom.sh OUTCAR