mp-10481-2/RbAg3Te2/harm

Equation of state

../../_images/fig_bm197.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos511.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo583.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2501.png

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

Summary

../../_images/fig_times859.png

(a) Computation time