mp-8696-2/K3NaSe2O8/harm

Equation of state

../../_images/fig_bm766.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1883.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1904.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1883.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21706.png

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

Summary

../../_images/fig_times2874.png

(a) Computation time