mp-625136/CsHO/harm

Harmonic properties

../../_images/fig_bandos_pr5856.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8545.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5856.png

(c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all2413.png

(a) Grüneisen parameters

../../_images/fig_gruneisen2413.png

(b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc25652.png

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

Summary

../../_images/fig_times10677.png

(a) Computation time