mp-18194-2/LiTbP4O12/harm

Equation of state

../../_images/fig_bm6904.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13804.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18197.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13804.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213432.png

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

Summary

../../_images/fig_times23150.png

(a) Computation time