Chemical-Pressure-Plotter 1.0

The BandU program constructs a rank ordered series of crystal orbitals using principal component analysis. These principal orbital components can then be projected on the Fermi surface and visualized

This code plots chemical pressures in crystals. It will work with a maximum of 4 distinct atoms by default, although this can be changed. Black lobes represent negative chemical pressures while white lobes represent positive chemical pressures. The code requires a optimized crystal strucutre and the following files; a .xyz file, a coeff file, a cell file and a geo file.

For help with this code contact the Fredrickson Group at the University of Wisconsin Madison