mp-1079656/TmAgS2/harm

Harmonic properties

../../_images/fig_bandos_pr16946.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21255.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16945.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216498.png

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

Summary

../../_images/fig_times27625.png

(a) Computation time