mp-690847/AsH2C2NCl2O/harm

Harmonic properties

../../_images/fig_bandos_pr5052.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7127.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5052.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24857.png

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

Summary

../../_images/fig_times9026.png

(a) Computation time