The calculations you may perform on minerals listed below accept input by the user through this page and inputs that have been previously generated by first principles calculations. Previosly obtained results are interpolated on user specified grids. You may (should) read the papers before you run your own calculations. Essentially, you should be able to reproduce our results if you restrict your calculations to the published pressure and temperature ranges.
Two plotting grids must be specified: i) temperature and ii)pressure grids. You may want to plot quantities versus pressure at a couple of temperatures or vice-versa. This first should be regular grid of the ordinate. The second can be an irregular sparse grid for which you should specify the number of point and their values. It can also be a regular fine grid if you wish to download a detailed table.
We suggest that initially you use the default values entered. You may have to expirement a couple of times until you get the results you wish