mp-557147/BaMo4P2O16/harm

Harmonic properties

../../_images/fig_bandos_pr8379.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11777.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8379.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28141.png

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

Summary

../../_images/fig_times14713.png

(a) Computation time