Fig_3_raw_data.zip contains co-ordinates of all calculated points on Figure 3. 
Columns are as labelled in the files.

Fig_3_PWSCF_inputs.zip contains all input files used to calculate the above data.

Fig_3_additional_U_values.zip contains additional plots for some intermediate U values around the transition from non-magnetic to ferromagnetic, jsutifying the remarks in the second paragraph of the Results section of the associated article in response to a question from one referee.

Calculations were performed with the Quantum Espresso (aka PWSCF) code. Please see the documentation of this code for explanation ofthe parameters, plus citations in the article to the publications of the authors of the code.