mp-14316/KPrSe2O8/harm

Harmonic properties

../../_images/fig_bandos_pr14753.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19120.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14753.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214371.png

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

Summary

../../_images/fig_times24509.png

(a) Computation time