mp-643026/SrH4Cl2O2/harm

Harmonic properties

../../_images/fig_bandos_pr5464.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7863.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5464.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25269.png

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

Summary

../../_images/fig_times9886.png

(a) Computation time