mp-9780-2/RbHfAgTe3/harm

Equation of state

../../_images/fig_bm423.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1234.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1143.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1234.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21100.png

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

Summary

../../_images/fig_times1846.png

(a) Computation time