mp-30192/Pr4Se3O4/harm

Harmonic properties

../../_images/fig_bandos_pr11088.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15025.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11088.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210810.png

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

Summary

../../_images/fig_times18945.png

(a) Computation time