mp-863758-2/K2SrCdSb2/harm

Equation of state

../../_images/fig_bm560.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1536.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1444.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1536.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21383.png

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

Summary

../../_images/fig_times2293.png

(a) Computation time