mp-1588-2/C11F7/harm

Harmonic properties

../../_images/fig_bandos_pr196.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos212.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo196.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2182.png

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

Summary

../../_images/fig_times327.png

(a) Computation time