mp-1178804/VCu3HgSe4/harm

Harmonic properties

../../_images/fig_bandos_pr16119.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20541.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16118.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215714.png

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

Summary

../../_images/fig_times26507.png

(a) Computation time