mp-617632/La3AgGeS7/harm

Harmonic properties

../../_images/fig_bandos_pr6044.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8895.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6044.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25835.png

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

Summary

../../_images/fig_times11065.png

(a) Computation time