mp-560625/RePbClO4/harm

Harmonic properties

../../_images/fig_bandos_pr7536.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10600.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7536.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27300.png

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

Summary

../../_images/fig_times13343.png

(a) Computation time