mp-557508/NaLaH2S2O9/harm

Harmonic properties

../../_images/fig_bandos_pr8116.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11415.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8116.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27878.png

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

Summary

../../_images/fig_times14299.png

(a) Computation time