mp-1193007/NaVH2I2O9/harm

Harmonic properties

../../_images/fig_bandos_pr15819.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20210.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15818.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215414.png

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

Summary

../../_images/fig_times26061.png

(a) Computation time