mp-12903-2/YAgTe2/harm

Harmonic properties

../../_images/fig_bandos_pr15722.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20084.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15721.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215317.png

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

Summary

../../_images/fig_times25903.png

(a) Computation time