mp-557857/SrLi2Nb2O7/harm

Harmonic properties

../../_images/fig_bandos_pr8206.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11539.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8206.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27968.png

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

Summary

../../_images/fig_times14439.png

(a) Computation time