mp-1190450/NaNbSe2O7/harm

Harmonic properties

../../_images/fig_bandos_pr15986.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20397.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15985.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215581.png

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

Summary

../../_images/fig_times26322.png

(a) Computation time