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Band structure plots

The aim of this wiki is to provide examples of the source code. All examples are based on VASP calculations but what is needed is bands structure and DOS objects of pymatgen. Thus you can use the code as long as you are able to obtain such objects. Look at code supported in pymatgen.

Main idea

The main idea of this code is to use the projections of bands onto atomic orbitals to compute the contribution of one specie or one atomic orbital to this bands. The contribution is computed as the sum of the square of the coefficients associated to the desired specie or atomic orbitals normalized by the sum of the square of all coefficients. That means that in the calculation of the contribution, the overlap between atomic orbitals is not taken into account.