mp-27455/YCl3/harm

Harmonic properties

../../_images/fig_bandos_pr12103.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16189.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12103.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211804.png

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

Summary

../../_images/fig_times20506.png

(a) Computation time