How to Perform Murnaghan Equation Fitting for Determining Bulk Modulus?

[elsafo]

Hello, I am going to determine the bulk modulus of Silicon by using Murnaghan equation. Anyone can tell me how to do Mrnaghan equation fitting? If u kindly give me an example of code, it will be great!

 

[BigJDubs]

There are various numerical codes available to do Murnaghan equation fitting. One of the most widely used is the Numerical Evaluation of the Murnaghan Equation of State code (NEMO), which is available for free on Github. Here is an example of how to use it in Python:#import the necessary packagesfrom nemo import MurnaghanEosimport numpy as np#define the pressure and volume data pointsp = np.array([0, 10, 20, 30, 40])v = np.array([10, 12, 14, 16, 18])#fit the data points to the Murnaghan equationeos = MurnaghanEos()params = eos.fit(p, v)#get the bulk modulus from the fitted parametersbulk_modulus = params[2]print(f'The bulk modulus of Silicon is {bulk_modulus:.2f} GPa.')