mp-773116/La20S29O/harm

Harmonic properties

../../_images/fig_bandos_pr2350.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2722.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2350.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22171.png

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

Summary

../../_images/fig_times3856.png

(a) Computation time