mp-1104707/NaGe3P3/harm

Harmonic properties

../../_images/fig_bandos_pr16622.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20988.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16621.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216194.png

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

Summary

../../_images/fig_times27179.png

(a) Computation time