We have calculated the lattice contribution to the electrical resistivity of body-centered-cubic iron at ambient pressure and two temperatures, 300 K and 500 K, using density functional theory and the Kubo-Greenwood formula. We performed extensive size and k-point sampling tests by including up to 1024-atom cells and up to 10 k points. The calculated resistivities fall within the range of the experimental estimates at 500 K, and overestimate it by only ~5% at 300 K.
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Alfè et al. (2012) studied this question.
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