mp-1188652/TmAgSe2/harm

Harmonic properties

../../_images/fig_bandos_pr16201.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20659.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16200.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215794.png

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

Summary

../../_images/fig_times26677.png

(a) Computation time