Questions tagged [curve-fitting]

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10
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2answers
85 views

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 ...
6
votes
1answer
174 views

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 ...