# 1. Tafel H* calculation

The in file was copied from the final tutorial in section 2 that calculated hydrogen adsorption
on a Pt surface. One command was added to the in file:

	ion H   0.333333 -0.333333  0.690   1

This adds a second adsorbed hydrogen on the ontop site of the top Pt atom in the surface.

## Run th calculation

Within an interactive session (run `beast-interactive` if not already in one), run:

    srun -n 4 --gpus 4 jdftx_gpu -i in | tee out

Check the structure of the output with visualize.ipynb to ensure that the hydrogen adsorbed to
the top site and didn't do anything strange.

## Analysis

Check the total number of electrons in the cell and compare it to the number of electrons in calculation in
the final tutorial of the H adsorption section. Our mechanism says that one electron should transfer along
with the adsorption of H. Did the number of electrons change in the cell by exactly one?

