mp-559520/In2Ag3P3O12/harm

Harmonic properties

../../_images/fig_bandos_pr7938.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11153.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7938.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27700.png

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

Summary

../../_images/fig_times13993.png

(a) Computation time