mp-674993/KPb2Cl5/harm

Harmonic properties

../../_images/fig_bandos_pr5199.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7415.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5199.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25004.png

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

Summary

../../_images/fig_times9346.png

(a) Computation time