mp-645962/La4B14O27/harm

Harmonic properties

../../_images/fig_bandos_pr5588.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7996.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5588.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25389.png

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

Summary

../../_images/fig_times10073.png

(a) Computation time