mp-684783/Na2Pr4Br9NO/harm

Harmonic properties

../../_images/fig_bandos_pr4993.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7003.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4993.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24798.png

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

Summary

../../_images/fig_times8883.png

(a) Computation time