mp-1190562/HoH9C5N2O8/harm

Harmonic properties

../../_images/fig_bandos_pr16001.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20413.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16000.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215596.png

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

Summary

../../_images/fig_times26343.png

(a) Computation time