DFT calculations with PBE, PBEsol and LDA show that functional choice changes predicted lattice thermal conductivity and the temperature-length windows for phonon hydrodynamics, with new predictions reported for NaH, LiH, KH, KF, NaCl and KCl.
Shukla, Ab Initio Hartree-Fock Born Effective Charges of LiH, LiF, LiCl, NaF, and NaCl, Phys
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Impact of Exchange-Correlation Functionals on Predictions of Phonon Hydrodynamics: A Study of Fluorides, Chlorides, and Hydrides
DFT calculations with PBE, PBEsol and LDA show that functional choice changes predicted lattice thermal conductivity and the temperature-length windows for phonon hydrodynamics, with new predictions reported for NaH, LiH, KH, KF, NaCl and KCl.