Questions tagged [curve-fitting]

Questions about or related to curve fitting.

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6 votes
2 answers

Fitting of Brich-Murnaghan equation of state

After performing high-pressure calculations for my ABO4 compounds using the VASP software, I am now interested in fitting the Birch-Murnaghan equation of state to either pressure versus volume or ...
Sathani Madhu's user avatar
10 votes
2 answers

Validity of interpolation for density of states?

A density of states (DoS) curve seems like an example of a curve for which curve fitting doesn't seem to make sense, or does it? How could we interpolate on such a curve, given that we got the curve ...
Hitanshu Sachania's user avatar
9 votes
1 answer

How to use the ev.x tool in Quantum ESPRESSO?

The requirement I have is to calculate the bulk modulus from the energy values at certain volumes obtained via DFT calculations. Can you provide the instructions to use the ev.x tool in the Quantum ...
Anoop A Nair's user avatar
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