ebs_ipr_atom#

ElectronicBandStructure.ebs_ipr_atom()[source]#

It returns the atom-resolved , pIPR:

pIPR_j = frac{|c_j|^4}{(sum_i |c_i^2|)^2}

Clearly, ( sum_j pIPR_j = IPR ).

Mind: ( c_i ) is the wavefunction ( c(n,k)_i ), in pyprocar we already have density projections, ( c_i^2 ).

THIS QUANTITY IS NOT READY FOR PLOTTING, please prefer self.ebs_ipr()

Returns:

ret – The IPR projections

Return type:

list float