mp-707395/NaH2SeO4/harm

Harmonic properties

../../_images/fig_bandos_pr4250.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5905.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4250.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24063.png

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

Summary

../../_images/fig_times7537.png

(a) Computation time