mp-561257/LiPr2C2N4F3/harm

Harmonic properties

../../_images/fig_bandos_pr7353.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10352.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7353.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27117.png

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

Summary

../../_images/fig_times13038.png

(a) Computation time