README.md

EDP: a program for projecting electron densities from VASP onto planes

• Detailed documentation can be found at https://edp.imc-tue.nl.
• See the contributing guide for detailed instructions how to make contributions.
• Bugs and feature requests are ideally submitted via the gitlab issue tracker.
• The development team can also be reached by email via [email protected].

If you make use of this program, please use the following to cite it:

@article{Filot2023,
    doi = {10.21105/joss.05417},
    url = {https://doi.org/10.21105/joss.05417},
    year = {2023},
    publisher = {The Open Journal},
    volume = {8},
    number = {87},
    pages = {5417},
    author = {I.a.w. Filot},
    title = {EDP: a program for projecting electron densities from VASP onto planes},
    journal = {Journal of Open Source Software}
}

Purpose

EDP is a C++ program designed to project the electron density as stored in a CHGCAR or PARCHG file (calculated in VASP, onto a plane.

With EDP, users can effortlessly define the projection plane based on atomic positions while also having the option for detailed customization of the plane's position and direction. Its versatility and ease of use make EDP a handy tool for researchers in the field of materials science.

Features

Easy command line instructions

By referring to the atomic coordinates, one can easily define the projection plane and produce nice and clear images.

edp -i PARCHG_BENZENE_07 -o benzene_xy.png -p 1 -v 1,0,0 -w 0,1,0 -s 25 -b -5,0 -l

Large variety of color schemes

EDP supports 16 different color schemes.