mp-680063/K3La2N9O27/harm

Harmonic properties

../../_images/fig_bandos_pr5144.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7312.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5144.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24949.png

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

Summary

../../_images/fig_times9225.png

(a) Computation time