mp-540956/YH18C3S3O18F9/harm

Harmonic properties

../../_images/fig_bandos_pr9444.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13220.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9444.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29206.png

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

Summary

../../_images/fig_times16436.png

(a) Computation time