This is my github repository for interview questions for WPI.
The file Q1_WPI.py contains the code to the first question. The code reads the data-1.xlsx file and fits each composition of HfTiO4 and ZrTiO4 to the Birch-Murnaghan EOS. This code outputs the fitting parameters a,b,c, and d for individual compositions. It also outputs the root mean square error (RMSE) and the mean absolute error (MAE). This will also output the minimum energy of each composition and the volume at that energy and the mixing energy using the minimum energy calculated with the code. It also outputs the graphs of the minimum energy for each composition. The data and the fit are then plotted in one figure.
The file Q2_WPI.py contains the code to the first question. The code reads the eos.csv and fits the data to the Birch-Murnaghan EOS. This code outputs the fitting parameters a,b,c, and d. It also outputs the root mean square error (RMSE) and the mean absolute error (MAE). This will also output the minimum energy of each composition and the volume at that energy. It will output a graph of the raw data and the fit.