mp-1193688/NaH8RhN8O12/harm

Harmonic properties

../../_images/fig_bandos_pr15841.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20238.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15840.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215436.png

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

Summary

../../_images/fig_times26098.png

(a) Computation time