This page tells you how to start your first calculation with deMonNano.

Download the archive of the code from the Download page

It creates a deMonNano directory

Open deMon.inp and replace the PATH to paramaters byt the path to the deMonNano/basis directory

Run the executable

To modify the deMon.inp file, keep in mind that :

Each line should look like :


You can get the list of the main keywords from the keywords page, and the list of the subkeywords asoociated by clicking on given 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.

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.