mp-677617/KMgP2H5O9/harm

Harmonic properties

../../_images/fig_bandos_pr5119.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7270.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5119.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24924.png

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

Summary

../../_images/fig_times9177.png

(a) Computation time