mp-696155/Na4P2H4CO9/harm

Harmonic properties

../../_images/fig_bandos_pr4873.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6794.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4873.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24682.png

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

Summary

../../_images/fig_times8649.png

(a) Computation time