mp-23797/LiH6ClO7/harm

Harmonic properties

../../_images/fig_bandos_pr12503.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16827.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12503.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212202.png

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

Summary

../../_images/fig_times21254.png

(a) Computation time