Get the code

BigDFT is available on Launchpad, from where it can be downloaded as a tar file or via bzr using the command bzr branch lp:bigdft.

Run the code

We recommend running BigDFT using a jupyter notebook. Various features have been implemented in PyBigDFT for the straightforward pre- and post-processing of calculations, as demonstrated in these tutorials: pybigdft_tutorials, with further examples available on github.


add some brief text and a link to explain what a jupyter-notebook is; tips for using notebooks remotely (link to script); how to run without using a notebook, i.e. the key ingredients of a calculation and where to find variables - should be at a very basic level.

Frequently encountered problems


add here any problems (and how to avoid them) which occur on a frequent basis