[ase-users] Returning B' from eos.fit()

[Daniel Marchand]

Hi Everyone,

It seems like the eos.fit() function only returns E0, V0 and B. However, in
my use case I also need the derivative of bulk modulus, B'.

I know that this variable must be computed within ASE, but is there a way I
can access this variable?

e.g. it would be nice to have something like:

v0, e0, B, B_p = eos.fit()

or maybe

v0, e0, B, B_p = eos.fit(return_bulkmod_derivative=True)


Best,

Daniel
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