mp-625937/H7NO6/harm

Harmonic properties

../../_images/fig_bandos_pr5727.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8233.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5727.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25523.png

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

Summary

../../_images/fig_times10348.png

(a) Computation time