mp-1189564/NaNbCu2S4/harm

Harmonic properties

../../_images/fig_bandos_pr15927.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20338.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15926.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215522.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times26234.png

(a) Computation time