mp-8696/K3NaSe2O8/harm

Harmonic properties

../../_images/fig_bandos_pr1882.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1903.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1882.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21705.png

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

Summary

../../_images/fig_times2873.png

(a) Computation time