mp-1443442/VF5/harm

Harmonic properties

../../_images/fig_bandos_pr14578.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18945.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14578.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214197.png

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

Summary

../../_images/fig_times24259.png

(a) Computation time