mp-8686/Na3AsSe3/harm

Harmonic properties

../../_images/fig_bandos_pr1880.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1901.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1880.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21703.png

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

Summary

../../_images/fig_times2871.png

(a) Computation time