mp-561075-2/Na2CdSnS4/harm

Equation of state

../../_images/fig_bm3971.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7634.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10725.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7634.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27397.png

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

Summary

../../_images/fig_times13495.png

(a) Computation time