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Dear all, I want to calculate the in-plane speed of sound from the phonons spectrum of a 2D materials, let say graphene, which can be calculated from the slope of w(k) of acoustic LA mode. I did a...
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Dear QE users, I'm trying to reproduce the Li adsorbed graphene with DFT-D2 using QE. The adsorption energy is very much underestimated (-0.66 eV/Li) as compared to the values found in the...
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