mp-864666/Nd3SiAgS7/harm

Harmonic properties

../../_images/fig_bandos_pr1546.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1456.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1546.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21391.png

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

Summary

../../_images/fig_times2308.png

(a) Computation time