mp-17155/La3AgSnSe7/harm

Harmonic properties

../../_images/fig_bandos_pr14204.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18589.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14204.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213832.png

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

Summary

../../_images/fig_times23733.png

(a) Computation time