mp-23885/SrH12Cl2O6/harm

Harmonic properties

../../_images/fig_bandos_pr12536.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16868.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12536.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212234.png

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

Summary

../../_images/fig_times21309.png

(a) Computation time