IFCs from QE #151
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LauraCaputo
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IFCs from QE
#151
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Dear all,
Following the thread here: #22
I understand that one could directly calculate the lattice conductivity by extracting the IFCs from the DFPT run in Quantum Espresso. However, in this case, am I correct in saying that I would be able to calculate only up to harmonic terms? This would avoid calculating the SCF steps for each displacement, right?
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