mp-565836/MoSO6/harm

Harmonic properties

../../_images/fig_bandos_pr7131.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10124.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7131.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26902.png

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

Summary

../../_images/fig_times12720.png

(a) Computation time