mp-27988/IF7/harm

Harmonic properties

../../_images/fig_bandos_pr11989.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16045.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11989.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211692.png

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

Summary

../../_images/fig_times20330.png

(a) Computation time