mp-23914/CaH12Cl2O6/harm

Harmonic properties

../../_images/fig_bandos_pr12550.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16890.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12550.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212248.png

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

Summary

../../_images/fig_times21332.png

(a) Computation time