mp-28334/Tl4SiSe4/harm

Harmonic properties

../../_images/fig_bandos_pr11807.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15822.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11807.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211518.png

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

Summary

../../_images/fig_times20040.png

(a) Computation time