mp-559519/Na4TiAs2O9/harm

Harmonic properties

../../_images/fig_bandos_pr7936.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11151.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7936.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27698.png

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

Summary

../../_images/fig_times13991.png

(a) Computation time