prima.py

Colorful band structures with Wien2k

Download master Download v0.3.0 View on GitHub

This is a wrapper script for Maurits Haverkort's SpaghettiPrimavera.f90. It produces the same kind of plots but should provide a simpler interface.

An Example

Suppose we are interested in the t2g and eg contributions of the first inequivalent atom in the struct. A typical command line might be

   prima.py 1:D-t2g:5,0,0:3 1:D-eg:0,0,5:3 -o prima.ps

Each of the non-option arguments names an atom, an orbital, a color, a thickness increment, and a description for the (optional) legend; these tokens are separated by colons :, and each of them may be empty.

More Information

See the GitHub page, viz. the file README.md for a longer introduction. The wiki has a set of example plots made with prima.py.

Installing

To download, head over to GitHub and get the latest release.

prima.py needs Python 2, NumPy, F2PY (which is now part of NumPy), and a modern Fortran compiler. I tested it with the following versions: