mp-565400/ReAsC5SNO5F7/harm

Harmonic properties

../../_images/fig_bandos_pr7128.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10120.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7128.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26899.png

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

Summary

../../_images/fig_times12716.png

(a) Computation time