mp-996956/CuHO2/harm

Harmonic properties

../../_images/fig_bandos_pr904.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos831.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo904.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2795.png

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

Summary

../../_images/fig_times1348.png

(a) Computation time