receptivity as a function of temperature in fcc Aluminum

General discussion around the EPW software

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Affiliation: Oak Ridge National Laboratory

receptivity as a function of temperature in fcc Aluminum

Post by samolyuk »

Dear colleagues,

1) Did anybody calculate resistivity in fcc Al?

The results I obtain at room temperature overestimate experimental value by factor of ~2.
The convergence was achieved at mesh nk=100^3 nk=20^3 degaussq=0.15 meV and degaussw=50meV (checked 10, 20, 50 and nq=40^3).

The second question: I'm trying to compare with result published in [1] Author in this publication used lowest-order variational approximation to calculate resistivity which contains lambda_{tr}, electronic DOS and <v_x^2>.

EPW result in ref [1]
lambda_{tr} 0.379 0.37
N(E_F) (St/Ry) 5.64. 5.49

The agreement with experiment in [1] is perfect, while mine is almost twice higher

2) Question: is it possible to extract <v_x^2> from EPW calculation to make direct comparison?

Thank you,


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