Hi there,
I tried using LMFIT and the birch-murnaghan EOS to produce my own fitting of my energy vs volume datapoints, but I find that the ASE module set to the same EOS fits my data better (I am using ase.eos.EquationOfState with setting of eos=‘birchmurnaghan’).
I have looked through the source code but I am unsure how to obtain the error in the fitted parameters (Bulk modulus in particular). Is there anyway to obtain these?
Thanks.