mp-21634/Na2W2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13347.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17710.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13347.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212987.png

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

Summary

../../_images/fig_times22493.png

(a) Computation time