mp-6702/Na7In4P9O32/harm

Harmonic properties

../../_images/fig_bandos_pr6132.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8998.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6132.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25923.png

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

Summary

../../_images/fig_times11191.png

(a) Computation time