mp-757858/V3Zn7H3SO19/harm

Harmonic properties

../../_images/fig_bandos_pr3186.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4203.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3186.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23005.png

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

Summary

../../_images/fig_times5526.png

(a) Computation time