mp-555253-2/La5Ti2AgS5O7/harm

Equation of state

../../_images/fig_bm4488.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8889.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12530.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8889.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28650.png

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

Summary

../../_images/fig_times15584.png

(a) Computation time