mp-979271-2/TbAgSe2/harm

Equation of state

../../_images/fig_bm362.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1072.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1000.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1072.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2940.png

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

Summary

../../_images/fig_times1606.png

(a) Computation time