mp-555202/KTeHOF4/harm

Equation of state

../../_images/fig_bm4480.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8874.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12505.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8874.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28635.png

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

Summary

../../_images/fig_times15559.png

(a) Computation time