mp-12904-2/HoAgTe2/harm

Harmonic properties

../../_images/fig_bandos_pr15724.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20086.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15723.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215319.png

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

Summary

../../_images/fig_times25905.png

(a) Computation time