mp-6760/Na3La9B8O27/harm

Harmonic properties

../../_images/fig_bandos_pr6150.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9017.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6150.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25941.png

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

Summary

../../_images/fig_times11216.png

(a) Computation time