mp-731924-2/VPH5NO6/harm

Harmonic properties

../../_images/fig_bandos_pr4055.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5418.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4055.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23868.png

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

Summary

../../_images/fig_times7031.png

(a) Computation time