mp-23866/H2SeO4/harm

Harmonic properties

../../_images/fig_bandos_pr12528.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16859.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12528.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212227.png

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

Summary

../../_images/fig_times21297.png

(a) Computation time