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Plot Optics

This program takes the vasprun.xml file from a VASP run and extracts the real and imaginary dielectric functions and plots optical properties.

Installation

This program requires R. You can install R by following the instructions given at http://cran.r-project.org/

Usage

plotoptics [-h] [-a] [-t] [-l] [-e] -- program to calculate optical properties of solids

where: -h show this help text -a make all plots -t tauc plot -l absorption plotted versus lambda -e absorption plotted versus energy[eV]

notes: all plots are saved to .png format all data are saved to .dat format

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