mp-559377/IOF3/harm

Harmonic properties

../../_images/fig_bandos_pr7917.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11119.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7917.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27679.png

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

Summary

../../_images/fig_times13953.png

(a) Computation time