mp-675645-2/Tb2PbS4/harm

Equation of state

../../_images/fig_bm2567.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5249.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7498.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5249.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25054.png

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

Summary

../../_images/fig_times9443.png

(a) Computation time