mp-9405-2/K3SeO4F/harm

Equation of state

../../_images/fig_bm531.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1474.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1367.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1474.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21326.png

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

Summary

../../_images/fig_times2198.png

(a) Computation time