mp-23931/LiPH2O3/harm

Equation of state

../../_images/fig_bm6250.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12557.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16902.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12557.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212255.png

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

Summary

../../_images/fig_times21347.png

(a) Computation time