General programs: Difference between revisions
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http://rings-code.sourceforge.net/index.php?option=com_content&view=article&id=50:rdf&catid=36:phy-chi&Itemid=58 | http://rings-code.sourceforge.net/index.php?option=com_content&view=article&id=50:rdf&catid=36:phy-chi&Itemid=58 | ||
'''Name''': x.RDF | |||
'''Name''': ''x.RDF'' | |||
'''Launching''': ''x.RDF > output'' (in ''output'' some details of the calculation are reported) | '''Launching''': ''x.RDF > output'' (in ''output'' some details of the calculation are reported) | ||
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'''Used files/subprograms''': ''none'' | '''Used files/subprograms''': ''none'' | ||
== INSTALLATION STEPS == | == INSTALLATION STEPS == | ||
Revision as of 14:56, 12 January 2011
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