mp-6050-2/AgCSN/harm

Harmonic properties

../../_images/fig_bandos_pr6605.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9496.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6605.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26395.png

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

Summary

../../_images/fig_times11855.png

(a) Computation time