mp-6296-2/K6Cd4Sn3Se13/harm

Equation of state

../../_images/fig_bm3363.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6364.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9214.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6364.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26154.png

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

Summary

../../_images/fig_times11490.png

(a) Computation time