mp-1105496/Rb2Hg3Se4/harm

Harmonic properties

../../_images/fig_bandos_pr16223.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20675.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16222.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215816.png

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

Summary

../../_images/fig_times26704.png

(a) Computation time