mp-975577/K3LaAs2O8/harm

Harmonic properties

../../_images/fig_bandos_pr1028.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos963.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1028.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2896.png

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

Summary

../../_images/fig_times1539.png

(a) Computation time