mp-1189858/Ba4Hf3S10/harm

Harmonic properties

../../_images/fig_bandos_pr15942.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20353.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15941.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215537.png

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

Summary

../../_images/fig_times26257.png

(a) Computation time