mp-1192370/Na5Pr4Si4O16F/harm

Harmonic properties

../../_images/fig_bandos_pr15787.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20154.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15786.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215382.png

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

Summary

../../_images/fig_times25994.png

(a) Computation time