Quickstart and Download

This page tells you how to install and perform a first calculation with deMonNano.

New users are however suggested to follow the tutorial page.

1) Download the code and parameters from the following link deMon_static

If it does work you can access it by typing the following command line in your terminal :

wget http://demon-nano.ups-tlse.fr/deMonNano.tar.gz

  1. Untar the downloaded file by typing :

tar -xzvf deMonNano.tar.gz

It creates a deMonNano directory

  1. Open deMon.inp and replace the "PATH" by the path to your new deMonNano/basis directory
  2. Run the executable

./deMon.static-website.x

  1. After running the code, several files are created like the main output deMon.out or the deMon.mol file that you can read with molden or VMD.
  2. To modify the deMon.inp file, use the keywords proposed in the "keywords page".

Keep in mind that :

Each line should look like :

MAINKEYWORD SUBKEYWORD1 SUBKEYWORD2 ...

You can get the list of the main keywords from the keywords page, and the list of the subkeywords associated by clicking on each mainkeyword.

The order of keywords doesn't matter except for the last keyword which must be GEOMETRY followed by the list of atoms and coordinates.