mp-761169/Zn2Hg2H2S2O11/harm

Harmonic properties

../../_images/fig_bandos_pr2947.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2947.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22767.png

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

Summary

../../_images/fig_times4994.png

(a) Computation time