mp-541953-2/Rb4Zr3Te16/harm

Equation of state

../../_images/fig_bm4792.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9592.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13407.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9592.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29353.png

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

Summary

../../_images/fig_times16683.png

(a) Computation time