mp-865532/BaMgTe2O7/harm

Harmonic properties

../../_images/fig_bandos_pr1571.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1498.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1571.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21413.png

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

Summary

../../_images/fig_times2356.png

(a) Computation time