mp-558867/H7ClO7/harm

Harmonic properties

../../_images/fig_bandos_pr8108.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11406.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8108.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27870.png

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

Summary

../../_images/fig_times14286.png

(a) Computation time