mp-849798/AgH36S8Br2N9O12/harm

Harmonic properties

../../_images/fig_bandos_pr1711.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1691.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1711.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21544.png

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

Summary

../../_images/fig_times2594.png

(a) Computation time