mp-766131/P4WO13/harm

Harmonic properties

../../_images/fig_bandos_pr2738.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3359.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2738.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22559.png

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

Summary

../../_images/fig_times4590.png

(a) Computation time