mp-1105944/HS2NO4F2/harm

Harmonic properties

../../_images/fig_bandos_pr16250.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20698.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16249.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215843.png

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

Summary

../../_images/fig_times26745.png

(a) Computation time