mp-574580-2/Tl4Pd3Cl10/harm

Equation of state

../../_images/fig_bm3605.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6736.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9682.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6736.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26525.png

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

Summary

../../_images/fig_times12099.png

(a) Computation time